1 line
1.9 MiB
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1.9 MiB
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Cl="1" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.0624339894</molecular_weight><hf298.15>861849.307</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>3.469955220e+04</a1><a2>-5.479900030e+02</a2><a3>6.106011130e+00</a3><a4>-2.674711519e-03</a4><a5>2.696426573e-06</a5><a6>-1.463885068e-09</a6><a7>3.358729060e-13</a7><b1>1.051719510e+05</b1><b2>-7.816586372e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-7.547240820e+05</a1><a2>1.251545253e+03</a2><a3>4.442424910e+00</a3><a4>-9.786116430e-04</a4><a5>6.347511330e-07</a5><a6>-1.158320344e-10</a6><a7>6.870022460e-15</a7><b1>9.318332700e+04</b1><b2>4.047521108e+00</b2></T_range></specie><specie inp_file_name="AlCl2"><identification><InChIKey>ZTHNOZQGTXKVNZ-UHFFFAOYSA-L</InChIKey><canonical_smiles>[Al](Cl)Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dichloroaluminum</IUPAC_name></identification><comment>Gurvich,1996a pt1 p171 pt2 p132.</comment><reference>tpis96</reference><elements><element Al="1" /><element Cl="2" /></elements><condensed>False</condensed><molecular_weight>0.09788753800000001</molecular_weight><hf298.15>-240874.252</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>5.340545950e+04</a1><a2>-9.678057980e+02</a2><a3>1.006252671e+01</a3><a4>-5.539528450e-03</a4><a5>5.823420560e-06</a5><a6>-3.306542450e-09</a6><a7>7.831562100e-13</a7><b1>-2.607627110e+04</b1><b2>-2.393364216e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>4.303453060e+05</a1><a2>-1.552370585e+03</a2><a3>8.760657420e+00</a3><a4>-9.467450060e-04</a4><a5>2.401844880e-07</a5><a6>-2.427836709e-11</a6><a7>8.390123470e-16</a7><b1>-2.145884709e+04</b1><b2>-1.803641668e+01</b2></T_range></specie><specie inp_file_name="AlCl3"><identification><InChIKey>VSCWAEJMTAWNJL-UHFFFAOYSA-K</InChIKey><canonical_smiles>[Al](Cl)(Cl)Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>trichloroalumane</IUPAC_name></identification><comment>Gurvich,1996a pt1 p173 pt2 p134.</comment><reference>tpis96</reference><elements><element Al="1" /><element Cl="3" /></elements><condensed>False</condensed><molecular_weight>0.133340538</molecular_weight><hf298.15>-584678.863</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>7.750600970e+04</a1><a2>-1.440779717e+03</a2><a3>1.401744141e+01</a3><a4>-6.381631240e-03</a4><a5>5.871674720e-06</a5><a6>-2.908872278e-09</a6><a7>5.994050890e-13</a7><b1>-6.579343180e+04</b1><b2>-4.494017799e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.378630916e+05</a1><a2>-5.579207290e+01</a2><a3>1.004190387e+01</a3><a4>-1.682165339e-05</a4><a5>3.724664660e-09</a5><a6>-4.275526780e-13</a6><a7>1.982341329e-17</a7><b1>-7.343407470e+04</b1><b2>-2.045130429e+01</b2></T_range></specie><specie inp_file_name="AlF"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1996a pt1 p151 pt2 p116.</comment><reference>tpis96</reference><elements><element Al="1" /><element F="1" /></elements><condensed>False</condensed><molecular_weight>0.0459799412</molecular_weight><hf298.15>-264060.446</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>3.020771686e+04</a1><a2>-3.080986949e+02</a2><a3>3.886413140e+00</a3><a4>3.564343690e-03</a4><a5>-5.858471280e-06</a5><a6>4.388109920e-09</a6><a7>-1.256906273e-12</a7><b1>-3.117572862e+04</b1><b2>2.032567172e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-7.111229050e+05</a1><a2>1.903013316e+03</a2><a3>2.191607179e+00</a3><a4>1.421471467e-03</a4><a5>-4.179634770e-07</a5><a6>6.153804400e-11</a6><a7>-2.945403999e-15</a7><b1>-4.540728960e+04</b1><b2>1.613163743e+01</b2></T_range></specie><specie inp_file_name="AlF+"><identification><InChIKey>APURLPHDHPNUFL-UHFFFAOYSA-M</InChIKey><canonical_smiles>F[Al]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>fluoroaluminum</IUPAC_name></identification><comment>Chase,1998 p92.</comment><reference>j 6/76</reference><elements><element Al="1" /><element F="1" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.045979392599999995</molecular_weight><hf298.15>692233.561</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>3.643038120e+04</a1><a2>-2.524634478e+02</a2><a3>3.105310486e+00</a3><a4>5.733270430e-03</a4><a5>-8.839786990e-06</a5><a6>6.343579590e-09</a6><a7>-1.645011685e-12</a7><b1>8.370237450e+04</b1><b2>6.764015580e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.505101126e+06</a1><a2>-2.236668821e+03</a2><a3>3.098216724e+00</a3><a4>3.115413930e-03</a4><a5>-1.168427068e-06</a5><a6>1.773587168e-10</a6><a7>-9.665841380e-15</a7><b1>9.885083850e+04</b1><b2>5.991894590e+00</b2></T_range></specie><specie inp_file_name="AlFCl"><identification><InChIKey>JGEJVCDMXOWVNE-UHFFFAOYSA-L</InChIKey><canonical_smiles>F[Al]Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>chloro(fluoro)aluminum</IUPAC_name></identification><comment>Gurvich,1996a pt1 p182 pt2 p144.</comment><reference>tpis96</reference><elements><element Al="1" /><element F="1" /><element Cl="1" /></elements><condensed>False</condensed><molecular_weight>0.0814329412</molecular_weight><hf298.15>-436409.913</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>4.104779480e+04</a1><a2>-5.769646420e+02</a2><a3>6.562642700e+00</a3><a4>4.106285840e-03</a4><a5>-7.213921120e-06</a5><a6>5.486401450e-09</a6><a7>-1.580656193e-12</a7><b1>-5.114828700e+04</b1><b2>-6.041227053e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>6.970636350e+04</a1><a2>-6.224485910e+02</a2><a3>7.573475410e+00</a3><a4>-2.236155999e-04</a4><a5>2.382317949e-08</a5><a6>4.443785760e-12</a6><a7>-5.486977850e-16</a7><b1>-5.100943200e+04</b1><b2>-1.091164505e+01</b2></T_range></specie><specie inp_file_name="AlFCl2"><identification><InChIKey>JNGNDYHADNWZFG-UHFFFAOYSA-K</InChIKey><canonical_smiles>F[Al](Cl)Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dichloro(fluoro)alumane</IUPAC_name></identification><comment>Gurvich,1996a pt1 p183 pt2 p146.</comment><reference>tpis96</reference><elements><element Al="1" /><element F="1" /><element Cl="2" /></elements><condensed>False</condensed><molecular_weight>0.11688594120000001</molecular_weight><hf298.15>-791395.404</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>6.955607340e+04</a1><a2>-1.188857902e+03</a2><a3>1.156672590e+01</a3><a4>4.574959490e-04</a4><a5>-3.407372830e-06</a5><a6>3.356822540e-09</a6><a7>-1.085329228e-12</a7><b1>-9.162049260e+04</b1><b2>-3.206065081e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.720360526e+05</a1><a2>-1.193340759e+02</a2><a3>1.008894431e+01</a3><a4>-3.550993810e-05</a4><a5>7.830952610e-09</a5><a6>-8.961734230e-13</a6><a7>4.145330260e-17</a7><b1>-9.804185470e+04</b1><b2>-2.127046859e+01</b2></T_range></specie><specie inp_file_name="AlF2"><identification><InChIKey>NOBTYUUWOBTGLI-UHFFFAOYSA-L</InChIKey><canonical_smiles>F[Al]F</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>difluoroaluminum</IUPAC_name></identification><comment>Gurvich,1996a pt1 p153 pt2 p117.</comment><reference>tpis96</reference><elements><element Al="1" /><element F="2" /></elements><condensed>False</condensed><molecular_weight>0.0649783444</molecular_weight><hf298.15>-631764.175</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>2.994951991e+04</a1><a2>-2.194199915e+02</a2><a3>3.416748760e+00</a3><a4>1.272953936e-02</a4><a5>-1.883312206e-05</a5><a6>1.330702256e-08</a6><a7>-3.680118630e-12</a7><b1>-7.607537650e+04</b1><b2>8.759626916e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.146896245e+05</a1><a2>3.096840150e+01</a2><a3>6.816399620e+00</a3><a4>1.820129379e-04</a4><a5>-7.793677440e-08</a5><a6>1.472534201e-11</a6><a7>-8.803695300e-16</a7><b1>-7.884002680e+04</b1><b2>-7.915370474e+00</b2></T_range></specie><specie inp_file_name="AlF2-"><identification><InChIKey>NOBTYUUWOBTGLI-UHFFFAOYSA-L</InChIKey><canonical_smiles>F[Al]F</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>difluoroaluminum</IUPAC_name></identification><comment>Gurvich,1996a pt1 p154 pt2 p118.</comment><reference>tpis96</reference><elements><element Al="1" /><element F="2" /><element E="1" /></elements><condensed>False</condensed><molecular_weight>0.064978893</molecular_weight><hf298.15>-853230.685</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>1.233369037e+05</a1><a2>-1.348195504e+03</a2><a3>8.611178050e+00</a3><a4>2.245141297e-04</a4><a5>-2.424673201e-06</a5><a6>2.214132430e-09</a6><a7>-6.602713960e-13</a7><b1>-9.708437460e+04</b1><b2>-2.192617549e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.590076965e+05</a1><a2>-2.060486516e+02</a2><a3>7.155289380e+00</a3><a4>-6.260167690e-05</a4><a5>1.391935746e-08</a5><a6>-1.603901265e-12</a6><a7>7.461508520e-17</a7><b1>-1.040479429e+05</b1><b2>-1.122696648e+01</b2></T_range></specie><specie inp_file_name="AlF2Cl"><identification><InChIKey>AAYWCFPMITZDSH-UHFFFAOYSA-K</InChIKey><canonical_smiles>F[Al](F)Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>chloro(difluoro)alumane</IUPAC_name></identification><comment>Gurvich,1996a pt1 p182 pt2 p145.</comment><reference>tpis96</reference><elements><element Al="1" /><element F="2" /><element Cl="1" /></elements><condensed>False</condensed><molecular_weight>0.1004313444</molecular_weight><hf298.15>-999128.145</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>5.677412090e+04</a1><a2>-8.869829470e+02</a2><a3>8.752746550e+00</a3><a4>8.195791200e-03</a4><a5>-1.380480934e-05</a5><a6>1.032703706e-08</a6><a7>-2.948968416e-12</a7><b1>-1.177936778e+05</b1><b2>-1.858347360e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.115422988e+05</a1><a2>-1.959188681e+02</a2><a3>1.014576850e+01</a3><a4>-5.813219350e-05</a4><a5>1.281071982e-08</a5><a6>-1.465366277e-12</a6><a7>6.776002450e-17</a7><b1>-1.227153110e+05</b1><b2>-2.359853398e+01</b2></T_range></specie><specie inp_file_name="AlF3"><identification><InChIKey>KLZUFWVZNOTSEM-UHFFFAOYSA-K</InChIKey><canonical_smiles>F[Al](F)F</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>trifluoroalumane</IUPAC_name></identification><comment>Gurvich,1996a pt1 p157 pt2 p120.</comment><reference>tpis96</reference><elements><element Al="1" /><element F="3" /></elements><condensed>False</condensed><molecular_weight>0.0839767476</molecular_weight><hf298.15>-1209276.938</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>4.410263520e+04</a1><a2>-5.667495740e+02</a2><a3>5.833072850e+00</a3><a4>1.603535069e-02</a4><a5>-2.413263602e-05</a5><a6>1.714106160e-08</a6><a7>-4.747543200e-12</a7><b1>-1.443349991e+05</b1><b2>-5.461613658e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.493972160e+05</a1><a2>-2.911202519e+02</a2><a3>1.021662932e+01</a3><a4>-8.642985970e-05</a4><a5>1.905713108e-08</a5><a6>-2.181058411e-12</a6><a7>1.009055287e-16</a7><b1>-1.475694276e+05</b1><b2>-2.703983244e+01</b2></T_range></specie><specie inp_file_name="AlF4-"><identification><InChIKey>UYOMQIYKOOHAMK-UHFFFAOYSA-J</InChIKey><canonical_smiles>F[Al-](F)(F)F</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>tetrafluoroalumanuide</IUPAC_name></identification><comment>Gurvich,1996a pt1 p159 pt2 p121.</comment><reference>tpis96</reference><elements><element Al="1" /><element F="4" /><element E="1" /></elements><condensed>False</condensed><molecular_weight>0.1029756994</molecular_weight><hf298.15>-1951600.806</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>2.312010037e+05</a1><a2>-3.235376780e+03</a2><a3>2.017865547e+01</a3><a4>-9.108193500e-03</a4><a5>6.679552630e-06</a5><a6>-2.606075106e-09</a6><a7>4.110060510e-13</a7><b1>-2.211784563e+05</b1><b2>-8.677268282e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-3.217411610e+05</a1><a2>-2.612097043e+02</a2><a3>1.319792654e+01</a3><a4>-8.010135410e-05</a4><a5>1.786204421e-08</a5><a6>-2.062751964e-12</a6><a7>9.612581770e-17</a7><b1>-2.381577915e+05</b1><b2>-4.231634322e+01</b2></T_range></specie><specie inp_file_name="AlH"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1996a pt1 p139 pt2 p106.</comment><reference>tpis96</reference><elements><element Al="1" /><element H="1" /></elements><condensed>False</condensed><molecular_weight>0.027989477999999998</molecular_weight><hf298.15>249250.804</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-3.759114030e+04</a1><a2>5.089002230e+02</a2><a3>1.128086896e+00</a3><a4>3.988660910e-03</a4><a5>-2.150790303e-07</a5><a6>-2.176790819e-09</a6><a7>1.020805902e-12</a7><b1>2.644431827e+04</b1><b2>1.650021856e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>6.802018430e+06</a1><a2>-2.178416933e+04</a2><a3>3.032713047e+01</a3><a4>-1.503343597e-02</a4><a5>4.492142360e-06</a5><a6>-6.178450370e-10</a6><a7>3.115205260e-14</a7><b1>1.658301221e+05</b1><b2>-1.876766425e+02</b2></T_range></specie><specie inp_file_name="AlHCl"><identification><InChIKey>DVBBEGGVSYJLME-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Al].Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>aluminum;hydrochloride</IUPAC_name></identification><comment>Gurvich,1996a pt1 p178 pt2 p138.</comment><reference>tpis96</reference><elements><element Al="1" /><element H="1" /><element Cl="1" /></elements><condensed>False</condensed><molecular_weight>0.063442478</molecular_weight><hf298.15>10521.966</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>3.587169760e+04</a1><a2>-5.916249990e+02</a2><a3>6.944542380e+00</a3><a4>-2.511543148e-03</a4><a5>6.471332550e-06</a5><a6>-5.642277140e-09</a6><a7>1.715950436e-12</a7><b1>2.750930479e+03</b1><b2>-9.903745880e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.683915330e+05</a1><a2>-8.862301790e+02</a2><a3>8.062379400e+00</a3><a4>-9.200551470e-04</a4><a5>3.949817220e-07</a5><a6>-6.401086760e-11</a6><a7>3.578354100e-15</a7><b1>3.641504850e+03</b1><b2>-1.800686894e+01</b2></T_range></specie><specie inp_file_name="AlHCl2"><identification><InChIKey>WADSLQQIOJIXTB-UHFFFAOYSA-L</InChIKey><canonical_smiles>[AlH](Cl)Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dichloroalumane</IUPAC_name></identification><comment>Gurvich,1996a pt1 p179 pt2 p140.</comment><reference>tpis96</reference><elements><element Al="1" /><element H="1" /><element Cl="2" /></elements><condensed>False</condensed><molecular_weight>0.098895478</molecular_weight><hf298.15>-351278.965</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.184828615e+05</a1><a2>-2.054157118e+03</a2><a3>1.574696513e+01</a3><a4>-1.476257296e-02</a4><a5>2.065336978e-05</a5><a6>-1.420198850e-08</a6><a7>3.826279860e-12</a7><b1>-3.434277460e+04</b1><b2>-5.761184061e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>9.608063940e+04</a1><a2>-1.485540161e+03</a2><a3>1.103592709e+01</a3><a4>-3.956955200e-04</a4><a5>8.465843730e-08</a5><a6>-9.483336520e-12</a6><a7>4.319033530e-16</a7><b1>-3.669216390e+04</b1><b2>-3.236862171e+01</b2></T_range></specie><specie inp_file_name="AlHF"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1996a pt1 p164 pt2 p125.</comment><reference>tpis96</reference><elements><element Al="1" /><element H="1" /><element F="1" /></elements><condensed>False</condensed><molecular_weight>0.0469878812</molecular_weight><hf298.15>-182614.484</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-9.289545100e+03</a1><a2>1.335515868e+02</a2><a3>2.772448680e+00</a3><a4>6.751415030e-03</a4><a5>-4.133846140e-06</a5><a6>5.865704070e-10</a6><a7>2.276158011e-13</a7><b1>-2.384685845e+04</b1><b2>1.228752581e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>7.342169250e+05</a1><a2>-3.462164130e+03</a2><a3>1.039714588e+01</a3><a4>-1.750737965e-03</a4><a5>4.615687860e-07</a5><a6>-5.390414740e-11</a6><a7>2.340478515e-15</a7><b1>-2.965279722e+03</b1><b2>-3.713172313e+01</b2></T_range></specie><specie inp_file_name="AlHFCl"><identification><InChIKey>NCGNROXZLSZWIK-UHFFFAOYSA-L</InChIKey><canonical_smiles>F[AlH]Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>chloro(fluoro)alumane</IUPAC_name></identification><comment>Gurvich,1996a pt1 p184 pt2 p147.</comment><reference>tpis96</reference><elements><element Al="1" /><element H="1" /><element F="1" /><element Cl="1" /></elements><condensed>False</condensed><molecular_weight>0.08244088120000001</molecular_weight><hf298.15>-555244.524</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.290373237e+05</a1><a2>-2.142099873e+03</a2><a3>1.485434420e+01</a3><a4>-1.140326930e-02</a4><a5>1.564521768e-05</a5><a6>-1.067574855e-08</a6><a7>2.857255247e-12</a7><b1>-5.818303070e+04</b1><b2>-5.483424986e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>4.068987130e+04</a1><a2>-1.502129854e+03</a2><a3>1.105214126e+01</a3><a4>-4.031587730e-04</a4><a5>8.645252220e-08</a5><a6>-9.700659520e-12</a6><a7>4.423629510e-16</a7><b1>-6.129888110e+04</b1><b2>-3.403564016e+01</b2></T_range></specie><specie inp_file_name="AlHF2"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1996a pt1 p166 pt2 p127.</comment><reference>tpis96</reference><elements><element Al="1" /><element H="1" /><element F="2" /></elements><condensed>False</condensed><molecular_weight>0.0659862844</molecular_weight><hf298.15>-765299.182</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.050181431e+05</a1><a2>-1.398654202e+03</a2><a3>9.166334840e+00</a3><a4>3.867286870e-03</a4><a5>-4.830841090e-06</a5><a6>3.099287181e-09</a6><a7>-8.440702990e-13</a7><b1>-8.659048800e+04</b1><b2>-2.557299683e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-4.419947300e+03</a1><a2>-1.612826324e+03</a2><a3>1.113336052e+01</a3><a4>-4.351812660e-04</a4><a5>9.344396160e-08</a5><a6>-1.049431425e-11</a6><a7>4.788333980e-16</a7><b1>-8.606916190e+04</b1><b2>-3.676383785e+01</b2></T_range></specie><specie inp_file_name="AlH2"><identification><InChIKey>AYENPGKIIRJZBT-UHFFFAOYSA-N</InChIKey><canonical_smiles>[AlH2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>$l^{2}-alumane</IUPAC_name></identification><comment>Gurvich,1996a pt1 p142 pt2 p107.</comment><reference>tpis96</reference><elements><element Al="1" /><element H="2" /></elements><condensed>False</condensed><molecular_weight>0.028997418</molecular_weight><hf298.15>276774.934</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.455182996e+04</a1><a2>-2.153768996e+02</a2><a3>5.144370230e+00</a3><a4>-3.965222030e-03</a4><a5>1.340900203e-05</a5><a6>-1.216744854e-08</a6><a7>3.743107130e-12</a7><b1>3.311037940e+04</b1><b2>-3.608799711e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.432910601e+05</a1><a2>-2.365907684e+03</a2><a3>9.085667190e+00</a3><a4>-1.308536612e-03</a4><a5>4.777191360e-07</a5><a6>-7.324721890e-11</a6><a7>3.997900940e-15</a7><b1>4.485951850e+04</b1><b2>-3.220814285e+01</b2></T_range></specie><specie inp_file_name="AlH2Cl"><identification><InChIKey>SOGXWMAAMKKQCB-UHFFFAOYSA-M</InChIKey><canonical_smiles>[AlH2]Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>chloroalumane</IUPAC_name></identification><comment>Gurvich,1996a pt1 p179 pt2 p139.</comment><reference>tpis96</reference><elements><element Al="1" /><element H="2" /><element Cl="1" /></elements><condensed>False</condensed><molecular_weight>0.064450418</molecular_weight><hf298.15>-106345.406</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>9.303828980e+04</a1><a2>-1.328188016e+03</a2><a3>9.424763590e+00</a3><a4>-3.277660590e-03</a4><a5>1.004231609e-05</a5><a6>-8.948123090e-09</a6><a7>2.708031665e-12</a7><b1>-7.647437930e+03</b1><b2>-2.682512215e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>3.166929930e+05</a1><a2>-3.094037914e+03</a2><a3>1.215872020e+01</a3><a4>-8.248269590e-04</a4><a5>1.765027123e-07</a5><a6>-1.977372723e-11</a6><a7>9.006176280e-16</a7><b1>2.411845642e+03</b1><b2>-4.718390855e+01</b2></T_range></specie><specie inp_file_name="AlH2F"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1996a pt1 p165 pt2 p126.</comment><reference>tpis96</reference><elements><element Al="1" /><element H="2" /><element F="1" /></elements><condensed>False</condensed><molecular_weight>0.047995821200000004</molecular_weight><hf298.15>-316655.854</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>8.906039290e+04</a1><a2>-9.750803930e+02</a2><a3>5.870772320e+00</a3><a4>6.896663690e-03</a4><a5>-4.045817280e-06</a5><a6>7.219318660e-10</a6><a7>7.329846740e-14</a7><b1>-3.425302600e+04</b1><b2>-9.387539141e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>2.711514962e+05</a1><a2>-3.169623480e+03</a2><a3>1.221401118e+01</a3><a4>-8.465600260e-04</a4><a5>1.812341995e-07</a5><a6>-2.030947985e-11</a6><a7>9.251825820e-16</a7><b1>-2.259217746e+04</b1><b2>-4.941337333e+01</b2></T_range></specie><specie inp_file_name="AlH3"><identification><InChIKey>TZHVDRMMYKWKGZ-UHFFFAOYSA-N</InChIKey><canonical_smiles>[H-].[H-].[H-].[Al+3]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>aluminum;hydride</IUPAC_name></identification><comment>Gurvich,1996a pt1 p145 pt2 p109.</comment><reference>tpis96</reference><elements><element Al="1" /><element H="3" /></elements><condensed>False</condensed><molecular_weight>0.030005358000000003</molecular_weight><hf298.15>128896.080</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.481207909e+04</a1><a2>-2.836495340e+01</a2><a3>2.507597126e+00</a3><a4>7.315920510e-03</a4><a5>2.331766687e-06</a5><a6>-6.389209890e-09</a6><a7>2.456885069e-12</a7><b1>1.463189428e+04</b1><b2>8.313187700e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>5.885458550e+05</a1><a2>-4.595785660e+03</a2><a3>1.320893344e+01</a3><a4>-1.226849004e-03</a4><a5>2.626580824e-07</a5><a6>-2.943725869e-11</a6><a7>1.341177648e-15</a7><b1>3.991716950e+04</b1><b2>-6.181829295e+01</b2></T_range></specie><specie inp_file_name="AlI"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1996a pt1 p191 pt2 p153.</comment><reference>tpis96</reference><elements><element Al="1" /><element I="1" /></elements><condensed>False</condensed><molecular_weight>0.153886008</molecular_weight><hf298.15>67395.017</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.870854131e+03</a1><a2>-1.543184003e+02</a2><a3>5.074391880e+00</a3><a4>-1.120584830e-03</a4><a5>1.386302156e-06</a5><a6>-8.540782280e-10</a6><a7>2.180358492e-13</a7><b1>7.517443690e+03</b1><b2>6.688267622e-01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>4.752817920e+05</a1><a2>-1.198028588e+03</a2><a3>5.433685360e+00</a3><a4>-1.004479306e-04</a4><a5>-1.005928846e-07</a5><a6>4.568173190e-11</a6><a7>-3.960201360e-15</a7><b1>1.464627816e+04</b1><b2>-3.141199746e+00</b2></T_range></specie><specie inp_file_name="AlI2"><identification><InChIKey>AVAWTVFUCDUJAC-UHFFFAOYSA-L</InChIKey><canonical_smiles>[Al](I)I</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>diiodoaluminum</IUPAC_name></identification><comment>Gurvich,1996a pt1 p193 pt2 p154.</comment><reference>tpis96</reference><elements><element Al="1" /><element I="2" /></elements><condensed>False</condensed><molecular_weight>0.280790478</molecular_weight><hf298.15>-33812.954</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.423413595e+04</a1><a2>-4.646575690e+02</a2><a3>8.722674910e+00</a3><a4>-3.560519290e-03</a4><a5>4.188682290e-06</a5><a6>-2.616026962e-09</a6><a7>6.720195510e-13</a7><b1>-3.846133330e+03</b1><b2>-1.073076578e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-3.355999020e+05</a1><a2>4.743347940e+02</a2><a3>7.106501390e+00</a3><a4>-5.529965340e-04</a4><a5>3.161480314e-07</a5><a6>-5.515489160e-11</a6><a7>3.174155820e-15</a7><b1>-9.785488850e+03</b1><b2>-5.602275944e-01</b2></T_range></specie><specie inp_file_name="AlI3"><identification><InChIKey>CECABOMBVQNBEC-UHFFFAOYSA-K</InChIKey><canonical_smiles>[Al](I)(I)I</canonical_smiles><cas_number>7784-23-8</cas_number><IUPAC_name>triiodoalumane</IUPAC_name></identification><comment>Gurvich,1996a pt1 p195 pt2 p156.</comment><reference>tpis96</reference><elements><element Al="1" /><element I="3" /></elements><condensed>False</condensed><molecular_weight>0.407694948</molecular_weight><hf298.15>-191330.433</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>2.706032439e+04</a1><a2>-7.559936810e+02</a2><a3>1.271396349e+01</a3><a4>-5.466884090e-03</a4><a5>6.297618920e-06</a5><a6>-3.864209610e-09</a6><a7>9.774132440e-13</a7><b1>-2.220966921e+04</b1><b2>-2.847883861e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-6.357427470e+04</a1><a2>-1.578772280e+01</a2><a3>1.001249733e+01</a3><a4>-5.228673120e-06</a4><a5>1.196173520e-09</a5><a6>-1.409194490e-13</a6><a7>6.671276390e-18</a7><b1>-2.611455525e+04</b1><b2>-1.247999813e+01</b2></T_range></specie><specie inp_file_name="AlN"><identification><InChIKey>PIGFYZPCRLYGLF-UHFFFAOYSA-N</InChIKey><canonical_smiles>N#[Al]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>azanylidynealumane</IUPAC_name></identification><comment>Gurvich,1996a pt1 p204 pt2 p164.</comment><reference>tpis96</reference><elements><element Al="1" /><element N="1" /></elements><condensed>False</condensed><molecular_weight>0.040988238</molecular_weight><hf298.15>438829.011</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>2.716645079e+04</a1><a2>-2.543491110e+02</a2><a3>3.538987720e+00</a3><a4>5.296256160e-03</a4><a5>-9.845700610e-06</a5><a6>8.452209040e-09</a6><a7>-2.592304568e-12</a7><b1>5.309994910e+04</b1><b2>5.399435220e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>3.821214220e+06</a1><a2>-1.067776595e+04</a2><a3>1.449174222e+01</a3><a4>-3.727227130e-03</a4><a5>7.922770960e-07</a5><a6>-8.086892210e-11</a6><a7>2.893539736e-15</a7><b1>1.205236340e+05</b1><b2>-7.288585119e+01</b2></T_range></specie><specie inp_file_name="AlO"><identification><InChIKey>AIRCTMFFNKZQPN-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[Al]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>oxoaluminum</IUPAC_name></identification><comment>Gurvich,1996a pt1 p122 pt2 p96.</comment><reference>tpis96</reference><elements><element Al="1" /><element O="1" /></elements><condensed>False</condensed><molecular_weight>0.042980938</molecular_weight><hf298.15>67319.006</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-7.683391100e+03</a1><a2>2.957969549e+02</a2><a3>4.808108440e-01</a3><a4>1.169224855e-02</a4><a5>-1.595428871e-05</a5><a6>1.060766814e-08</a6><a7>-2.647888708e-12</a7><b1>5.843672170e+03</b1><b2>2.160997839e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.565721161e+04</a1><a2>3.855741010e+03</a2><a3>-5.926079780e+00</a3><a4>9.050960420e-03</a4><a5>-2.930661549e-06</a5><a6>4.238529070e-10</a6><a7>-2.280655341e-14</a7><b1>-1.331694655e+04</b1><b2>6.830663436e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>4.165661210e+07</a1><a2>-3.768608760e+04</a2><a3>1.547867956e+01</a3><a4>-9.568730340e-04</a4><a5>2.493109541e-08</a5><a6>6.688940290e-14</a6><a7>-8.998673700e-18</a7><b1>2.957786517e+05</b1><b2>-9.427715804e+01</b2></T_range></specie><specie inp_file_name="AlO+"><identification><InChIKey>AIRCTMFFNKZQPN-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[Al]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>oxoaluminum</IUPAC_name></identification><comment>Chase,1998 p133.</comment><reference>j12/79</reference><elements><element Al="1" /><element O="1" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.0429803894</molecular_weight><hf298.15>992993.000</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>2.829178513e+04</a1><a2>-4.179087100e+02</a2><a3>5.313299870e+00</a3><a4>-1.410883046e-03</a4><a5>2.526524021e-06</a5><a6>-2.005474816e-09</a6><a7>5.762553550e-13</a7><b1>1.203648109e+05</b1><b2>-3.410565930e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>2.710846446e+04</a1><a2>-6.998653420e+02</a2><a3>5.787815840e+00</a3><a4>-6.871895460e-04</a4><a5>2.075047303e-07</a5><a6>-2.655281004e-11</a6><a7>1.283129660e-15</a7><b1>1.218682226e+05</b1><b2>-7.051035880e+00</b2></T_range></specie><specie inp_file_name="AlO-"><identification><InChIKey>AIRCTMFFNKZQPN-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[Al]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>oxoaluminum</IUPAC_name></identification><comment>Gurvich,1996a pt1 p125 pt2 p98.</comment><reference>g11/97</reference><elements><element Al="1" /><element O="1" /><element E="1" /></elements><condensed>False</condensed><molecular_weight>0.04298148659999999</molecular_weight><hf298.15>-272921.782</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>2.078075267e+04</a1><a2>2.859351226e+00</a2><a3>1.901912370e+00</a3><a4>7.301045660e-03</a4><a5>-9.139769870e-06</a5><a6>5.652983190e-09</a6><a7>-1.396787103e-12</a7><b1>-3.359267730e+04</b1><b2>1.296339858e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-6.971948290e+04</a1><a2>-2.320553036e+02</a2><a3>4.672784330e+00</a3><a4>-4.266447040e-05</a4><a5>1.632506336e-08</a5><a6>-1.727134051e-12</a6><a7>8.136840640e-17</a7><b1>-3.307718930e+04</b1><b2>-2.155922595e+00</b2></T_range></specie><specie inp_file_name="AlOCl"><identification><InChIKey>GCSPEDBBNOCYOD-UHFFFAOYSA-M</InChIKey><canonical_smiles>[O-2].[Al+3].[Cl-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>aluminum;oxygen(2-);chloride</IUPAC_name></identification><comment>Gurvich,1996a pt1 p176 pt2 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Tlow="1000.0"><a1>-1.641020297e+05</a1><a2>-3.277770290e+02</a2><a3>7.744519740e+00</a3><a4>-9.788649440e-05</a4><a5>2.165743208e-08</a5><a6>-2.486541919e-12</a6><a7>1.153633944e-16</a7><b1>-6.974085090e+04</b1><b2>-1.717253748e+01</b2></T_range></specie><specie inp_file_name="AlOF2"><identification><InChIKey>PANMNFCXUZDLOD-UHFFFAOYSA-N</InChIKey><canonical_smiles>O(F)F.[Al+3]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>aluminum;fluoro hypofluorite</IUPAC_name></identification><comment>Gurvich,1996a pt1 p164 pt2 p124.</comment><reference>tpis96</reference><elements><element Al="1" /><element O="1" /><element F="2" /></elements><condensed>False</condensed><molecular_weight>0.08097774440000001</molecular_weight><hf298.15>-773649.771</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>4.756085290e+04</a1><a2>-6.124318360e+02</a2><a3>6.050223660e+00</a3><a4>1.559291479e-02</a4><a5>-2.366136797e-05</a5><a6>1.688366194e-08</a6><a7>-4.690583100e-12</a7><b1>-9.171827490e+04</b1><b2>-4.956258224e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.496681413e+05</a1><a2>-2.837821503e+02</a2><a3>1.021108125e+01</a3><a4>-8.418303430e-05</a4><a5>1.855520828e-08</a5><a6>-2.122974022e-12</a6><a7>9.819319100e-17</a7><b1>-9.521804190e+04</b1><b2>-2.522534812e+01</b2></T_range></specie><specie inp_file_name="AlOF2-"><identification><InChIKey>PANMNFCXUZDLOD-UHFFFAOYSA-N</InChIKey><canonical_smiles>O(F)F.[Al+3]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>aluminum;fluoro hypofluorite</IUPAC_name></identification><comment>Chase,1998 p98 6/76.</comment><reference>g 2/01</reference><elements><element Al="1" /><element O="1" /><element F="2" /><element E="1" 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p110.</comment><reference>tpis96</reference><elements><element Al="1" /><element O="1" /><element H="1" /></elements><condensed>False</condensed><molecular_weight>0.043988878</molecular_weight><hf298.15>-192762.171</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>5.876493180e+04</a1><a2>-9.449422690e+02</a2><a3>7.820599180e+00</a3><a4>5.858888470e-04</a4><a5>-4.083666810e-06</a5><a6>4.587229340e-09</a6><a7>-1.563936726e-12</a7><b1>-1.993283011e+04</b1><b2>-2.065043885e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>7.882068110e+05</a1><a2>-2.263671626e+03</a2><a3>7.823954880e+00</a3><a4>1.821171456e-04</a4><a5>-8.263729320e-08</a5><a6>1.265414876e-11</a6><a7>-6.875972530e-16</a7><b1>-1.039808093e+04</b1><b2>-2.209032458e+01</b2></T_range></specie><specie 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Tlow="1000.0"><a1>7.967115510e+05</a1><a2>-2.843470502e+03</a2><a3>1.095559970e+01</a3><a4>-1.099328162e-04</a4><a5>-1.344506283e-08</a5><a6>4.415893770e-12</a6><a7>-2.973546112e-16</a7><b1>-2.969861461e+04</b1><b2>-3.296113996e+01</b2></T_range></specie><specie inp_file_name="AlOHCl2"><identification><InChIKey>IDOSCGGXFAKNLS-UHFFFAOYSA-K</InChIKey><canonical_smiles>[OH-].[Al+3].[Cl-].[Cl-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>aluminum;dichloride;hydroxide</IUPAC_name></identification><comment>Gurvich,1996a pt1 p181 pt2 p143.</comment><reference>tpis96</reference><elements><element Al="1" /><element O="1" /><element H="1" /><element Cl="2" /></elements><condensed>False</condensed><molecular_weight>0.114894878</molecular_weight><hf298.15>-725145.408</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>3.971929860e+04</a1><a2>-7.751554960e+02</a2><a3>9.494051530e+00</a3><a4>1.074401359e-02</a4><a5>-1.676464791e-05</a5><a6>1.259706368e-08</a6><a7>-3.613177980e-12</a7><b1>-8.584796930e+04</b1><b2>-1.993481642e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>7.385929760e+05</a1><a2>-2.863204228e+03</a2><a3>1.397062327e+01</a3><a4>-1.160311527e-04</a4><a5>-1.208248796e-08</a5><a6>4.258327630e-12</a6><a7>-2.900049181e-16</a7><b1>-7.293048000e+04</b1><b2>-4.681834857e+01</b2></T_range></specie><specie inp_file_name="AlOHF"><identification><InChIKey>ROYYMCKUKXXJRR-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[Al].F</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>oxoaluminum;hydrofluoride</IUPAC_name></identification><comment>Gurvich,1996a pt1 p166 pt2 p128.</comment><reference>tpis96</reference><elements><element Al="1" /><element O="1" /><element H="1" /><element F="1" /></elements><condensed>False</condensed><molecular_weight>0.0629872812</molecular_weight><hf298.15>-574211.575</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.556003336e+03</a1><a2>2.886581999e+02</a2><a3>7.703793290e-01</a3><a4>2.450406329e-02</a4><a5>-3.417811010e-05</a5><a6>2.388932902e-08</a6><a7>-6.570480510e-12</a7><b1>-7.177222560e+04</b1><b2>2.453071801e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>7.557113130e+05</a1><a2>-2.936702803e+03</a2><a3>1.102455104e+01</a3><a4>-1.373078030e-04</a4><a5>-7.432816160e-09</a5><a6>3.729981220e-12</a6><a7>-2.657027781e-16</a7><b1>-5.340130900e+04</b1><b2>-3.527397302e+01</b2></T_range></specie><specie inp_file_name="AlOHF2"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1996a pt1 p168 pt2 p130.</comment><reference>tpis96</reference><elements><element Al="1" /><element O="1" /><element H="1" /><element F="2" /></elements><condensed>False</condensed><molecular_weight>0.0819856844</molecular_weight><hf298.15>-1141510.711</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.738263538e+04</a1><a2>-1.307687299e+02</a2><a3>3.312381920e+00</a3><a4>2.784734099e-02</a4><a5>-3.982363210e-05</a5><a6>2.809344456e-08</a6><a7>-7.764574200e-12</a7><b1>-1.384133568e+05</b1><b2>1.004739945e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>6.530119920e+05</a1><a2>-3.034017232e+03</a2><a3>1.409719788e+01</a3><a4>-1.663681799e-04</a4><a5>-1.011564183e-09</a5><a6>2.993805003e-12</a6><a7>-2.315956955e-16</a7><b1>-1.223052213e+05</b1><b2>-5.151210690e+01</b2></T_range></specie><specie inp_file_name="AlO2"><identification><InChIKey>YENWHDHPCQNHJJ-UHFFFAOYSA-N</InChIKey><canonical_smiles>[O-2].[O-2].[Al+3]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>aluminum;oxygen(2-)</IUPAC_name></identification><comment>Gurvich,1996a pt1 p126 pt2 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Tlow="1000.0"><a1>-1.872410758e+05</a1><a2>-2.338853263e+02</a2><a3>7.676070020e+00</a3><a4>-7.093570300e-05</a4><a5>1.576717569e-08</a5><a6>-1.816494162e-12</a6><a7>8.449707960e-17</a7><b1>-5.594640560e+04</b1><b2>-1.773751567e+01</b2></T_range></specie><specie inp_file_name="Al(OH)2"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1996a pt1 p149 pt2 p113.</comment><reference>tpis96</reference><elements><element Al="1" /><element O="2" /><element H="2" /></elements><condensed>False</condensed><molecular_weight>0.060996218</molecular_weight><hf298.15>-507660.670</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>4.397316910e+03</a1><a2>1.327680339e+02</a2><a3>1.093947024e+00</a3><a4>3.054059173e-02</a4><a5>-4.375943350e-05</a5><a6>3.174617430e-08</a6><a7>-9.004259400e-12</a7><b1>-6.315437390e+04</b1><b2>2.101977655e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.669643735e+06</a1><a2>-5.924738280e+03</a2><a3>1.549480264e+01</a3><a4>-5.383488080e-04</a4><a5>5.413044530e-08</a5><a6>-1.196022328e-12</a6><a7>-1.082001733e-16</a7><b1>-2.697525061e+04</b1><b2>-6.617911543e+01</b2></T_range></specie><specie inp_file_name="Al(OH)2Cl"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1996a pt1 p181 pt2 p142.</comment><reference>tpis96</reference><elements><element Al="1" /><element O="2" /><element H="2" /><element Cl="1" /></elements><condensed>False</condensed><molecular_weight>0.096449218</molecular_weight><hf298.15>-859056.724</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>2.477879709e+04</a1><a2>-4.454577210e+02</a2><a3>5.928470200e+00</a3><a4>2.730162734e-02</a4><a5>-4.041405370e-05</a5><a6>2.974210410e-08</a6><a7>-8.477150600e-12</a7><b1>-1.033778030e+05</b1><b2>-3.679940779e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.603911487e+06</a1><a2>-5.767232240e+03</a2><a3>1.817772266e+01</a3><a4>-3.691816150e-04</a4><a5>1.137918702e-08</a5><a6>4.083079400e-12</a6><a7>-3.641323430e-16</a7><b1>-7.118699850e+04</b1><b2>-7.757541774e+01</b2></T_range></specie><specie inp_file_name="Al(OH)2F"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1996a pt1 p167 pt2 p129.</comment><reference>tpis96</reference><elements><element Al="1" /><element O="2" /><element H="2" /><element F="1" /></elements><condensed>False</condensed><molecular_weight>0.07999462119999999</molecular_weight><hf298.15>-1069628.708</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>2.132812662e+04</a1><a2>-1.932900224e+02</a2><a3>3.069174664e+00</a3><a4>3.555017330e-02</a4><a5>-5.181158330e-05</a5><a6>3.753520280e-08</a6><a7>-1.059220701e-11</a7><b1>-1.295797992e+05</b1><b2>1.001897011e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.559238236e+06</a1><a2>-5.841273030e+03</a2><a3>1.823229919e+01</a3><a4>-3.907805420e-04</a4><a5>1.610928938e-08</a5><a6>3.544784060e-12</a6><a7>-3.393453880e-16</a7><b1>-9.623100890e+04</b1><b2>-7.971351802e+01</b2></T_range></specie><specie inp_file_name="Al(OH)3"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1996a pt1 p150 pt2 p115.</comment><reference>tpis96</reference><elements><element Al="1" /><element O="3" /><element H="3" /></elements><condensed>False</condensed><molecular_weight>0.078003558</molecular_weight><hf298.15>-1012667.542</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.402475452e+04</a1><a2>3.696073460e+02</a2><a3>-2.979600650e-01</a3><a4>4.929859350e-02</a4><a5>-6.981572280e-05</a5><a6>5.014801700e-08</a6><a7>-1.412480165e-11</a7><b1>-1.255260760e+05</b1><b2>2.711490074e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>2.477063616e+06</a1><a2>-8.968617250e+03</a2><a3>2.280320998e+01</a3><a4>-8.320292250e-04</a4><a5>8.663494430e-08</a5><a6>-2.420287082e-12</a6><a7>-1.331746442e-16</a7><b1>-7.015278640e+04</b1><b2>-1.121899198e+02</b2></T_range></specie><specie inp_file_name="AlS"><identification><InChIKey>SLWLWUJHXQUDJS-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Al]=S</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>sulfanylidenealuminum</IUPAC_name></identification><comment>Gurvich,1996a pt1 p197 pt2 p158.</comment><reference>tpis96</reference><elements><element Al="1" /><element S="1" /></elements><condensed>False</condensed><molecular_weight>0.059046537999999996</molecular_weight><hf298.15>232682.009</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>2.611742801e+04</a1><a2>-3.470673890e+02</a2><a3>4.436204590e+00</a3><a4>3.340168210e-03</a4><a5>-8.410199670e-06</a5><a6>8.508185110e-09</a6><a7>-2.780868507e-12</a7><b1>2.863779062e+04</b1><b2>7.522705491e-01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>8.909844290e+06</a1><a2>-2.507677454e+04</a2><a3>2.893456134e+01</a3><a4>-9.839766820e-03</a4><a5>2.045319809e-06</a5><a6>-2.087970890e-10</a6><a7>8.152792520e-15</a7><b1>1.885761615e+05</b1><b2>-1.786036457e+02</b2></T_range></specie><specie inp_file_name="AlS2"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1996a pt1 p198 pt2 p159.</comment><reference>tpis96</reference><elements><element Al="1" /><element S="2" /></elements><condensed>False</condensed><molecular_weight>0.09111153799999999</molecular_weight><hf298.15>248535.279</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>4.252335410e+04</a1><a2>-7.764603300e+02</a2><a3>9.801068960e+00</a3><a4>-3.910680090e-03</a4><a5>3.875695970e-06</a5><a6>-2.082025593e-09</a6><a7>4.682935890e-13</a7><b1>3.167961540e+04</b1><b2>-2.178097896e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-6.852563540e+04</a1><a2>-2.671667739e+01</a2><a3>7.520193860e+00</a3><a4>-8.148565100e-06</a4><a5>1.811865152e-09</a5><a6>-2.086958125e-13</a6><a7>9.703246380e-18</a7><b1>2.758362737e+04</b1><b2>-7.873490263e+00</b2></T_range></specie><specie inp_file_name="Al2"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1996a pt1 p118 pt2 p95.</comment><reference>tpis96</reference><elements><element Al="2" /></elements><condensed>False</condensed><molecular_weight>0.053963076</molecular_weight><hf298.15>501301.722</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-5.281509650e+03</a1><a2>-1.727374523e+01</a2><a3>4.604077010e+00</a3><a4>-2.616467770e-04</a4><a5>6.302319970e-07</a5><a6>-3.290938590e-10</a6><a7>8.888365140e-14</a7><b1>5.900706390e+04</b1><b2>3.060188921e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.320724102e+06</a1><a2>9.218707890e+03</a2><a3>-9.446951870e+00</a3><a4>9.999920010e-03</a4><a5>-3.154798085e-06</a5><a6>4.361544810e-10</a6><a7>-2.241157240e-14</a7><b1>2.904589544e+03</b1><b2>9.960320745e+01</b2></T_range></specie><specie inp_file_name="Al2Br6"><identification><InChIKey>XMJCPTNSVZSWHK-UHFFFAOYSA-H</InChIKey><canonical_smiles>[Al](Br)(Br)Br.[Al](Br)(Br)Br</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>tribromoalumane</IUPAC_name></identification><comment>Gurvich,1996a pt1 p190 pt2 p152.</comment><reference>tpis96</reference><elements><element Al="2" /><element Br="6" /></elements><condensed>False</condensed><molecular_weight>0.533387076</molecular_weight><hf298.15>-942422.811</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>6.483319700e+04</a1><a2>-1.947687811e+03</a2><a3>2.886989822e+01</a3><a4>-1.365825785e-02</a4><a5>1.557883731e-05</a5><a6>-9.486942000e-09</a6><a7>2.385519396e-12</a7><b1>-1.101526833e+05</b1><b2>-1.025934782e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.731829490e+05</a1><a2>-4.342299780e+01</a2><a3>2.203414210e+01</a3><a4>-1.421187503e-05</a4><a5>3.238631340e-09</a5><a6>-3.803879760e-13</a6><a7>1.796525455e-17</a7><b1>-1.202338355e+05</b1><b2>-6.201054950e+01</b2></T_range></specie><specie inp_file_name="Al2C2"><identification><InChIKey>RJWLNXHIMRKTHN-UHFFFAOYSA-N</InChIKey><canonical_smiles>C1#C[Al]1.[Al]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>aluminum;1$l^{2}-aluminacycloprop-2-yne</IUPAC_name></identification><comment>Gurvich,1996a pt1 p206 pt2 p167.</comment><reference>tpis96</reference><elements><element Al="2" /><element C="2" /></elements><condensed>False</condensed><molecular_weight>0.077984476</molecular_weight><hf298.15>544978.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.110987147e+04</a1><a2>-3.502434230e+02</a2><a3>8.598856000e+00</a3><a4>1.832528671e-03</a4><a5>1.035743392e-06</a5><a6>-2.091649890e-09</a6><a7>7.716068700e-13</a7><b1>6.492764190e+04</b1><b2>-1.645080239e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.597651967e+05</a1><a2>-1.644007203e+03</a2><a3>1.164643675e+01</a3><a4>-4.379215430e-04</a4><a5>9.369640110e-08</a5><a6>-1.049615854e-11</a6><a7>4.780468930e-16</a7><b1>7.204889810e+04</b1><b2>-3.648164252e+01</b2></T_range></specie><specie inp_file_name="Al2Cl6"><identification><InChIKey>QFRXJXTXLGFSKN-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Al].[Al].ClCl(Cl)Cl(Cl)Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>aluminum;dichloro-(dichloro-$l^{3}-chloranyl)-$l^{3}-chlorane</IUPAC_name></identification><comment>Gurvich,1996a pt1 p175 pt2 p135.</comment><reference>tpis96</reference><elements><element Al="2" /><element Cl="6" /></elements><condensed>False</condensed><molecular_weight>0.266681076</molecular_weight><hf298.15>-1296876.242</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.340935279e+05</a1><a2>-3.001037953e+03</a2><a3>3.143000879e+01</a3><a4>-1.700408496e-02</a4><a5>1.786540089e-05</a5><a6>-1.015419943e-08</a6><a7>2.409630451e-12</a7><b1>-1.471830046e+05</b1><b2>-1.274445324e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.752975554e+05</a1><a2>-9.248235970e+01</a2><a3>2.207058224e+01</a3><a4>-2.870537915e-05</a4><a5>6.423325690e-09</a5><a6>-7.436585200e-13</a6><a7>3.472064670e-17</a7><b1>-1.629157014e+05</b1><b2>-7.091602129e+01</b2></T_range></specie><specie inp_file_name="Al2F6"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1996a pt1 p160 pt2 p122.</comment><reference>tpis96</reference><elements><element Al="2" /><element F="6" /></elements><condensed>False</condensed><molecular_weight>0.1679534952</molecular_weight><hf298.15>-2632491.231</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.915061289e+05</a1><a2>-3.168240250e+03</a2><a3>2.245374802e+01</a3><a4>1.271532036e-02</a4><a5>-2.488697302e-05</a5><a6>1.955252096e-08</a6><a7>-5.712084890e-12</a7><b1>-3.049962550e+05</b1><b2>-9.396473101e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-5.852982610e+05</a1><a2>-5.450571990e+02</a2><a3>2.240686320e+01</a3><a4>-1.627323704e-04</a4><a5>3.595225040e-08</a5><a6>-4.121201440e-12</a6><a7>1.909095384e-16</a7><b1>-3.219683910e+05</b1><b2>-8.589867941e+01</b2></T_range></specie><specie inp_file_name="Al2I6"><identification><InChIKey>RUGFRXCSOFPHQD-UHFFFAOYSA-H</InChIKey><canonical_smiles>[Al](I)(I)I.[Al](I)(I)I</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>triiodoalumane</IUPAC_name></identification><comment>Gurvich,1996a pt1 p196 pt2 p157.</comment><reference>tpis96</reference><elements><element Al="2" /><element I="6" /></elements><condensed>False</condensed><molecular_weight>0.815389896</molecular_weight><hf298.15>-487747.035</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>2.587571514e+04</a1><a2>-1.280719742e+03</a2><a3>2.677715820e+01</a3><a4>-9.913018470e-03</a4><a5>1.168760413e-05</a5><a6>-7.303918530e-09</a6><a7>1.874532749e-12</a7><b1>-5.891105550e+04</b1><b2>-8.330209321e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.210112399e+05</a1><a2>-2.467542774e+01</a2><a3>2.201992650e+01</a3><a4>-8.462022590e-06</a4><a5>1.957831901e-09</a5><a6>-2.326573151e-13</a6><a7>1.108910373e-17</a7><b1>-6.548523750e+04</b1><b2>-5.528536481e+01</b2></T_range></specie><specie inp_file_name="Al2O"><identification><InChIKey>BYFGZMCJNACEKR-UHFFFAOYSA-N</InChIKey><canonical_smiles>O([Al])[Al]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>$l^{1}-alumanyloxyaluminum</IUPAC_name></identification><comment>Gurvich,1996a pt1 p129 pt2 p101.</comment><reference>tpis96</reference><elements><element Al="2" /><element O="1" /></elements><condensed>False</condensed><molecular_weight>0.069962476</molecular_weight><hf298.15>-148611.286</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>7.776530700e+03</a1><a2>-1.294235361e+02</a2><a3>4.912509520e+00</a3><a4>8.604223450e-03</a4><a5>-1.217703648e-05</a5><a6>8.314634870e-09</a6><a7>-2.237722201e-12</a7><b1>-1.886512879e+04</b1><b2>-2.806368311e-02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.171074351e+05</a1><a2>-1.783009166e+02</a2><a3>7.633215360e+00</a3><a4>-5.335931770e-05</a4><a5>1.180702791e-08</a5><a6>-1.355444579e-12</a6><a7>6.287323890e-17</a7><b1>-1.947580149e+04</b1><b2>-1.415764167e+01</b2></T_range></specie><specie 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Tlow="1000.0"><a1>-1.102225105e+05</a1><a2>-1.214571732e+02</a2><a3>7.591595950e+00</a3><a4>-3.694539160e-05</a4><a5>8.218520320e-09</a5><a6>-9.473649720e-13</a6><a7>4.408621350e-17</a7><b1>7.614943580e+04</b1><b2>-1.282233856e+01</b2></T_range></specie><specie inp_file_name="Al2O2"><identification><InChIKey>WHOPEPSOPUIRQQ-UHFFFAOYSA-N</InChIKey><canonical_smiles>O1[Al]O[Al]1</canonical_smiles><cas_number>12252-63-0</cas_number><IUPAC_name>1,3,2$l^{2},4$l^{2}-dioxadialumetane</IUPAC_name></identification><comment>Gurvich,1996a pt1 p131 pt2 p102.</comment><reference>tpis96</reference><elements><element Al="2" /><element O="2" /></elements><condensed>False</condensed><molecular_weight>0.085961876</molecular_weight><hf298.15>-403095.587</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.940560042e+04</a1><a2>2.508489836e+02</a2><a3>3.621403790e+00</a3><a4>1.951385302e-02</a4><a5>-2.560329071e-05</a5><a6>1.662721576e-08</a6><a7>-4.312396200e-12</a7><b1>-5.172697280e+04</b1><b2>9.923995945e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.940611656e+05</a1><a2>-4.609752430e+02</a2><a3>1.084375637e+01</a3><a4>-1.376042893e-04</a4><a5>3.044733119e-08</a5><a6>-3.496193920e-12</a6><a7>1.622305079e-16</a7><b1>-4.963055780e+04</b1><b2>-2.946538090e+01</b2></T_range></specie><specie inp_file_name="Al2O2+"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Chase,1998 p153 12/79.</comment><reference>g 2/01</reference><elements><element Al="2" /><element O="2" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.0859613274</molecular_weight><hf298.15>557438.835</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>8.292034990e+04</a1><a2>-1.757427015e+03</a2><a3>1.525328567e+01</a3><a4>-8.983131330e-03</a4><a5>8.953954500e-06</a5><a6>-4.840586200e-09</a6><a7>1.096696856e-12</a7><b1>7.311677140e+04</b1><b2>-5.517092550e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.652005184e+05</a1><a2>-6.021606970e+01</a2><a3>1.004626917e+01</a3><a4>-1.892194088e-05</a4><a5>4.253301200e-09</a5><a6>-4.942390420e-13</a6><a7>2.314507373e-17</a7><b1>6.386219000e+04</b1><b2>-2.345753361e+01</b2></T_range></specie><specie inp_file_name="Al2O3"><identification><InChIKey>TWNQGVIAIRXVLR-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[Al]O[Al]=O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>oxo(oxoalumanyloxy)alumane</IUPAC_name></identification><comment>Gurvich,1996a pt1 p137 pt2 p105.</comment><reference>tpis96</reference><elements><element Al="2" /><element O="3" /></elements><condensed>False</condensed><molecular_weight>0.101961276</molecular_weight><hf298.15>-546890.530</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-7.443374320e+03</a1><a2>8.829004210e+01</a2><a3>5.264662640e+00</a3><a4>2.507678848e-02</a4><a5>-3.434541650e-05</a5><a6>2.302516980e-08</a6><a7>-6.122529280e-12</a7><b1>-6.872685950e+04</b1><b2>2.202324298e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.777784969e+05</a1><a2>-4.917465930e+02</a2><a3>1.386703888e+01</a3><a4>-1.469381940e-04</a4><a5>3.250406490e-08</a5><a6>-3.730867350e-12</a6><a7>1.730444284e-16</a7><b1>-6.790757850e+04</b1><b2>-4.375559873e+01</b2></T_range></specie><specie inp_file_name="Al2S"><identification><InChIKey>MARZXPCRVSOANL-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Al]S[Al]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>$l^{1}-alumanylsulfanylaluminum</IUPAC_name></identification><comment>Gurvich,1996a pt1 p199 pt2 p160.</comment><reference>tpis96</reference><elements><element Al="2" /><element S="1" /></elements><condensed>False</condensed><molecular_weight>0.086028076</molecular_weight><hf298.15>220679.131</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>4.094624370e+04</a1><a2>-7.797172470e+02</a2><a3>9.814423100e+00</a3><a4>-3.940339820e-03</a4><a5>3.912465430e-06</a5><a6>-2.105891677e-09</a6><a7>4.746001080e-13</a7><b1>2.833963305e+04</b1><b2>-2.465067552e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-7.043437370e+04</a1><a2>-2.676376869e+01</a2><a3>7.520233820e+00</a3><a4>-8.166123060e-06</a4><a5>1.816026040e-09</a5><a6>-2.091989298e-13</a6><a7>9.727537700e-18</a7><b1>2.422718377e+04</b1><b2>-1.066580982e+01</b2></T_range></specie><specie inp_file_name="Al2S2"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1996a pt1 p200 pt2 p161.</comment><reference>tpis96</reference><elements><element Al="2" /><element S="2" /></elements><condensed>False</condensed><molecular_weight>0.11809307599999999</molecular_weight><hf298.15>135287.321</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>6.614587320e+04</a1><a2>-1.111319537e+03</a2><a3>1.257007304e+01</a3><a4>-1.456053256e-03</a4><a5>-5.851627110e-07</a5><a6>1.390055053e-09</a6><a7>-5.496468200e-13</a7><b1>1.914456895e+04</b1><b2>-3.600277092e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.377806456e+05</a1><a2>-7.705032500e+01</a2><a3>1.055723566e+01</a3><a4>-2.277554487e-05</a4><a5>5.007682850e-09</a5><a6>-5.715862120e-13</a6><a7>2.637999240e-17</a7><b1>1.313336091e+04</b1><b2>-2.256851594e+01</b2></T_range></specie><specie inp_file_name="Ar"><identification><InChIKey>XKRFYHLGVUSROY-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Ar]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>argon</IUPAC_name></identification><comment>Ref-Elm. Moore,1971. Gordon,1999.</comment><reference>g 3/98</reference><elements><element Ar="1" /></elements><condensed>False</condensed><molecular_weight>0.039948</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.500000000e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-7.453750000e+02</b1><b2>4.379674910e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>2.010538475e+01</a1><a2>-5.992661070e-02</a2><a3>2.500069401e+00</a3><a4>-3.992141160e-08</a4><a5>1.205272140e-11</a5><a6>-1.819015576e-15</a6><a7>1.078576636e-19</a7><b1>-7.449939610e+02</b1><b2>4.379180110e+00</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>-9.951265080e+08</a1><a2>6.458887260e+05</a2><a3>-1.675894697e+02</a3><a4>2.319933363e-02</a4><a5>-1.721080911e-06</a5><a6>6.531938460e-11</a6><a7>-9.740147729e-16</a7><b1>-5.078300340e+06</b1><b2>1.465298484e+03</b2></T_range></specie><specie inp_file_name="Ar+"><identification><InChIKey>XKRFYHLGVUSROY-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Ar]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>argon</IUPAC_name></identification><comment>Moore,1971. IP:Moore,1970a. Gordon,1999.</comment><reference>g 1/99</reference><elements><element Ar="1" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.0399474514</molecular_weight><hf298.15>1526778.407</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>-5.731209170e+04</a1><a2>7.930791470e+02</a2><a3>-1.717121217e+00</a3><a4>1.044184018e-02</a4><a5>-1.180207501e-05</a5><a6>6.528134780e-09</a6><a7>-1.447558130e-12</a7><b1>1.790572230e+05</b1><b2>2.949150950e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-3.835965400e+05</a1><a2>8.162019700e+02</a2><a3>2.301342628e+00</a3><a4>-4.952983770e-06</a4><a5>1.205108477e-08</a5><a6>-2.185050286e-12</a6><a7>1.265493898e-16</a7><b1>1.771811455e+05</b1><b2>7.947507480e+00</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>1.006884827e+07</a1><a2>-6.624361280e+03</a2><a3>4.446908200e+00</a3><a4>-3.017567664e-04</a4><a5>2.612882069e-08</a5><a6>-1.201637769e-12</a6><a7>2.299206903e-17</a7><b1>2.349504137e+05</b1><b2>-1.032262257e+01</b2></T_range></specie><specie inp_file_name="B"><identification><InChIKey>ZOXJGFHDIHLPTG-UHFFFAOYSA-N</InChIKey><canonical_smiles>[B]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>boron</IUPAC_name></identification><comment>Martin,J.M.L.,1998. Odintzova,1979. Gordon,1999.</comment><reference>g 9/98</reference><elements><element B="1" /></elements><condensed>False</condensed><molecular_weight>0.010811</molecular_weight><hf298.15>575598.760</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.182394638e+02</a1><a2>-7.009916910e-02</a2><a3>2.500236159e+00</a3><a4>-4.584213700e-07</a4><a5>5.123185830e-10</a5><a6>-3.057217674e-13</a6><a7>7.533815325e-17</a7><b1>6.848359080e+04</b1><b2>4.209501920e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.072659610e+05</a1><a2>3.225307160e+02</a2><a3>2.126407232e+00</a3><a4>2.106579339e-04</a4><a5>-5.937129160e-08</a5><a6>7.377427990e-12</a6><a7>-2.282443381e-16</a7><b1>6.643413100e+04</b1><b2>6.877069670e+00</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>-4.150001310e+08</a1><a2>2.329576796e+05</a2><a3>-4.720913710e+01</a3><a4>4.877655960e-03</a4><a5>-2.069413791e-07</a5><a6>3.233519090e-12</a6><a7>-1.824076527e-18</a7><b1>-1.802904743e+06</b1><b2>4.439617640e+02</b2></T_range></specie><specie inp_file_name="B+"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Moore,1971. IP:Moore,1970a. Gordon,1999.</comment><reference>g 9/98</reference><elements><element B="1" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.0108104514</molecular_weight><hf298.15>1382315.528</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>7.849791190e-02</a1><a2>-8.947480950e-04</a2><a3>2.500004085e+00</a3><a4>-9.577271230e-09</a4><a5>1.218136411e-11</a5><a6>-7.986752520e-15</a6><a7>2.113769829e-18</a7><b1>1.655080260e+05</b1><b2>2.419053631e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-8.911548030e+03</a1><a2>4.587790090e+00</a2><a3>2.531500086e+00</a3><a4>-4.903949100e-05</a4><a5>2.853326582e-08</a5><a6>-7.382175910e-12</a6><a7>7.120721560e-16</a7><b1>1.654526303e+05</b1><b2>2.238669780e+00</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>-7.977322890e+08</a1><a2>4.734044940e+05</a2><a3>-1.055286044e+02</a3><a4>1.170310076e-02</a4><a5>-6.075531110e-07</a5><a6>1.484174716e-11</a6><a7>-1.328323987e-16</a7><b1>-3.609116960e+06</b1><b2>9.497399750e+02</b2></T_range></specie><specie inp_file_name="B-"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Hotop,1985. Gordon,1999.</comment><reference>g 9/98</reference><elements><element B="1" /><element E="1" /></elements><condensed>False</condensed><molecular_weight>0.0108115486</molecular_weight><hf298.15>542631.498</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>2.201568105e+01</a1><a2>-4.740468880e-03</a2><a3>2.500014238e+00</a3><a4>-2.497056599e-08</a4><a5>2.556360708e-11</a5><a6>-1.415274780e-14</a6><a7>3.271770710e-18</a7><b1>6.451791880e+04</b1><b2>4.616367290e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>2.118018248e+01</a1><a2>2.070697496e-04</a2><a3>2.499999729e+00</a3><a4>1.456693631e-10</a4><a5>-3.888571760e-14</a5><a6>5.090598630e-18</a6><a7>-2.601566168e-22</a7><b1>6.451789140e+04</b1><b2>4.616455830e+00</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>-1.311386485e+02</a1><a2>9.028908800e-02</a2><a3>2.499978572e+00</a3><a4>2.606391052e-09</a4><a5>-1.716068068e-13</a5><a6>5.810865540e-18</a6><a7>-7.925029090e-23</a7><b1>6.451717400e+04</b1><b2>4.616640300e+00</b2></T_range></specie><specie inp_file_name="BBr"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1996a pt1 p91 pt2 p70.</comment><reference>g 9/98</reference><elements><element B="1" /><element Br="1" /></elements><condensed>False</condensed><molecular_weight>0.090715</molecular_weight><hf298.15>240952.358</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>3.796093500e+04</a1><a2>-4.976096020e+02</a2><a3>5.267008200e+00</a3><a4>-3.742840190e-05</a4><a5>-1.131544370e-06</a5><a6>1.261945702e-09</a6><a7>-4.288811880e-13</a7><b1>3.038125367e+04</b1><b2>-4.353407330e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>2.536858027e+05</a1><a2>-6.405909500e+02</a2><a3>4.666823470e+00</a3><a4>4.175486390e-04</a4><a5>-2.963714868e-07</a5><a6>7.519119540e-11</a6><a7>-4.835368320e-15</a7><b1>3.189084340e+04</b1><b2>-8.255870910e-01</b2></T_range></specie><specie inp_file_name="BBr2"><identification><InChIKey>GFKJMQOPKRDGGL-UHFFFAOYSA-N</InChIKey><canonical_smiles>[B](Br)Br</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dibromoboron</IUPAC_name></identification><comment>Gurvich,1996a pt1 p92 pt2 p71.</comment><reference>g 9/98</reference><elements><element B="1" /><element Br="2" /></elements><condensed>False</condensed><molecular_weight>0.170619</molecular_weight><hf298.15>97828.617</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>6.516550710e+04</a1><a2>-9.029590760e+02</a2><a3>8.063817800e+00</a3><a4>1.129849010e-03</a4><a5>-4.195482390e-06</a5><a6>3.965658770e-09</a6><a7>-1.283029835e-12</a7><b1>1.470466408e+04</b1><b2>-1.336453164e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-4.191633370e+05</a1><a2>4.157688470e+02</a2><a3>7.148169830e+00</a3><a4>-5.689590750e-04</a4><a5>3.195441770e-07</a5><a6>-5.553176990e-11</a6><a7>3.191136760e-15</a7><b1>6.118982050e+03</b1><b2>-5.502759620e+00</b2></T_range></specie><specie inp_file_name="BBr3"><identification><InChIKey>ILAHWRKJUDSMFH-UHFFFAOYSA-N</InChIKey><canonical_smiles>B(Br)(Br)Br</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>tribromoborane</IUPAC_name></identification><comment>Gurvich,1996a pt1 p93 pt2 p72.</comment><reference>tpis96</reference><elements><element B="1" /><element Br="3" /></elements><condensed>False</condensed><molecular_weight>0.250523</molecular_weight><hf298.15>-205300.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>3.968073690e+04</a1><a2>-6.331087160e+02</a2><a3>8.054551570e+00</a3><a4>9.777571300e-03</a4><a5>-1.614866025e-05</a5><a6>1.216119883e-08</a6><a7>-3.516539610e-12</a7><b1>-2.366723308e+04</b1><b2>-1.106099390e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.901046795e+05</a1><a2>-1.503627687e+02</a2><a3>1.010999896e+01</a3><a4>-4.323095110e-05</a4><a5>9.409696190e-09</a5><a6>-1.065218470e-12</a6><a7>4.883048770e-17</a7><b1>-2.742553062e+04</b1><b2>-1.997496003e+01</b2></T_range></specie><specie inp_file_name="BC"><identification><InChIKey>UPGPUHVYNXOPJN-UHFFFAOYSA-N</InChIKey><canonical_smiles>B#[C]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>methylidyneborane</IUPAC_name></identification><comment>Gurvich,1996a pt1 p108 pt2 p86.</comment><reference>g 9/98</reference><elements><element B="1" /><element C="1" /></elements><condensed>False</condensed><molecular_weight>0.0228217</molecular_weight><hf298.15>838161.905</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-3.915758000e+04</a1><a2>7.284538060e+02</a2><a3>-1.552743361e+00</a3><a4>1.552898673e-02</a4><a5>-1.976857863e-05</a5><a6>1.272066405e-08</a6><a7>-3.229982780e-12</a7><b1>9.644913680e+04</b1><b2>3.248204466e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.346280674e+06</a1><a2>6.450751300e+03</a2><a3>-2.619532384e+00</a3><a4>3.339160500e-03</a4><a5>-4.508022140e-07</a5><a6>1.351919576e-11</a6><a7>8.265104270e-16</a7><b1>5.786685070e+04</b1><b2>5.037884876e+01</b2></T_range></specie><specie inp_file_name="BC2"><identification><InChIKey>YACRLKHONBBQKG-UHFFFAOYSA-N</InChIKey><canonical_smiles>[B]C#[C-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>ethynylboron</IUPAC_name></identification><comment>Gurvich,1996a pt1 p109 pt2 p87.</comment><reference>g 9/98</reference><elements><element B="1" /><element C="2" /></elements><condensed>False</condensed><molecular_weight>0.0348324</molecular_weight><hf298.15>801258.725</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-2.987422175e+04</a1><a2>3.643126580e+02</a2><a3>2.963469415e+00</a3><a4>6.561750150e-03</a4><a5>-3.539767240e-06</a5><a6>1.927356029e-10</a6><a7>3.118724866e-13</a7><b1>9.304835730e+04</b1><b2>1.083424193e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.525485889e+06</a1><a2>-5.987862380e+03</a2><a3>1.408384855e+01</a3><a4>-3.747499800e-03</a4><a5>1.081927223e-06</a5><a6>-1.378744645e-10</a6><a7>6.473822000e-15</a7><b1>1.311204013e+05</b1><b2>-6.337215498e+01</b2></T_range></specie><specie inp_file_name="BCl"><identification><InChIKey>GKCOJTRGYAUVSR-UHFFFAOYSA-N</InChIKey><canonical_smiles>[B]Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>chloroboron</IUPAC_name></identification><comment>Gurvich,1996a pt1 p73 pt2 p51.</comment><reference>g 9/98</reference><elements><element B="1" /><element Cl="1" /></elements><condensed>False</condensed><molecular_weight>0.046264</molecular_weight><hf298.15>183173.437</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>2.202458989e+04</a1><a2>-1.700511155e+02</a2><a3>3.066075869e+00</a3><a4>5.595070180e-03</a4><a5>-8.460870410e-06</a5><a6>6.084733410e-09</a6><a7>-1.702889433e-12</a7><b1>2.197402537e+04</b1><b2>6.388978917e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-7.421262540e+04</a1><a2>2.638090127e+02</a2><a3>3.600227650e+00</a3><a4>1.018866266e-03</a4><a5>-4.666184120e-07</a5><a6>9.849002030e-11</a6><a7>-6.468818170e-15</a7><b1>1.912726480e+04</b1><b2>5.235317877e+00</b2></T_range></specie><specie inp_file_name="BCl+"><identification><InChIKey>GKCOJTRGYAUVSR-UHFFFAOYSA-N</InChIKey><canonical_smiles>[B]Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>chloroboron</IUPAC_name></identification><comment>Chase,1998 p198.</comment><reference>j 6/68</reference><elements><element B="1" /><element Cl="1" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.0462634514</molecular_weight><hf298.15>1234280.000</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>6.514405420e+04</a1><a2>-6.845541010e+02</a2><a3>5.527276820e+00</a3><a4>-4.458357450e-04</a4><a5>-4.557728840e-07</a5><a6>6.370858160e-10</a6><a7>-2.134366120e-13</a7><b1>1.509424507e+05</b1><b2>-6.918246393e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.169423542e+05</a1><a2>3.589975160e+02</a2><a3>4.035208370e+00</a3><a4>3.274452430e-04</a4><a5>-8.634578450e-08</a5><a6>1.207061044e-11</a6><a7>-5.262253270e-16</a7><b1>1.445477224e+05</b1><b2>3.488222017e+00</b2></T_range></specie><specie inp_file_name="BClOH"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1996a pt1 p83 pt2 p61.</comment><reference>g 9/98</reference><elements><element B="1" /><element Cl="1" /><element O="1" /><element H="1" /></elements><condensed>False</condensed><molecular_weight>0.06327134</molecular_weight><hf298.15>-234005.381</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-2.898427288e+04</a1><a2>6.894046580e+02</a2><a3>-2.288138069e+00</a3><a4>3.349428620e-02</a4><a5>-4.725225980e-05</a5><a6>3.326981310e-08</a6><a7>-9.224238860e-12</a7><b1>-3.261981100e+04</b1><b2>3.976886651e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>7.027738440e+05</a1><a2>-2.857391274e+03</a2><a3>1.091175840e+01</a3><a4>-8.107709340e-05</a4><a5>-2.124440337e-08</a5><a6>5.409912440e-12</a6><a7>-3.464153840e-16</a7><b1>-1.307221888e+04</b1><b2>-3.585168799e+01</b2></T_range></specie><specie inp_file_name="BCl(OH)2"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1996a pt1 p85 pt2 p62.</comment><reference>tpis96</reference><elements><element B="1" /><element Cl="1" /><element O="2" /><element H="2" /></elements><condensed>False</condensed><molecular_weight>0.08027867999999999</molecular_weight><hf298.15>-805387.658</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>8.072623010e+04</a1><a2>-8.594619820e+02</a2><a3>2.705039614e+00</a3><a4>3.878799620e-02</a4><a5>-5.721734350e-05</a5><a6>4.145850330e-08</a6><a7>-1.168536754e-11</a7><b1>-9.379910740e+04</b1><b2>7.134982695e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.423878191e+06</a1><a2>-5.849704070e+03</a2><a3>1.792165219e+01</a3><a4>-2.009909087e-04</a4><a5>-3.393435780e-08</a5><a6>9.838560760e-12</a6><a7>-6.472678820e-16</a7><b1>-6.474261760e+04</b1><b2>-8.100399519e+01</b2></T_range></specie><specie inp_file_name="BCl2"><identification><InChIKey>GKWKOCYSCDZTAX-UHFFFAOYSA-N</InChIKey><canonical_smiles>[B](Cl)Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dichloroboron</IUPAC_name></identification><comment>Gurvich,1996a pt1 p74 pt2 p52.</comment><reference>tpis96</reference><elements><element B="1" /><element Cl="2" /></elements><condensed>False</condensed><molecular_weight>0.081717</molecular_weight><hf298.15>-60881.490</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>3.598879420e+04</a1><a2>-3.602826500e+02</a2><a3>4.157685450e+00</a3><a4>1.152877450e-02</a4><a5>-1.816567395e-05</a5><a6>1.341714418e-08</a6><a7>-3.840822860e-12</a7><b1>-6.765107050e+03</b1><b2>5.182311874e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>3.501403130e+05</a1><a2>-1.662203590e+03</a2><a3>8.839534720e+00</a3><a4>-9.772544110e-04</a4><a5>2.467356248e-07</a5><a6>-2.501151018e-11</a6><a7>8.722954560e-16</a7><b1>5.682909440e+02</b1><b2>-2.148348344e+01</b2></T_range></specie><specie inp_file_name="BCl2+"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Chase,1998 p203 12/79.</comment><reference>g 1/01</reference><elements><element B="1" /><element Cl="2" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.0817164514</molecular_weight><hf298.15>672315.402</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>8.065956240e+04</a1><a2>-1.149602601e+03</a2><a3>1.016765297e+01</a3><a4>-3.586494910e-03</a4><a5>2.837145924e-06</a5><a6>-1.225075731e-09</a6><a7>2.224794198e-13</a7><b1>8.478617410e+04</b1><b2>-2.937256994e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>3.029293331e+05</a1><a2>-1.305533159e+03</a2><a3>8.920390060e+00</a3><a4>-7.289919640e-04</a4><a5>1.727833266e-07</a5><a6>-1.523567337e-11</a6><a7>4.226911440e-16</a7><b1>8.653415770e+04</b1><b2>-2.267466616e+01</b2></T_range></specie><specie inp_file_name="BCl2OH"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1996a pt1 p86 pt2 p63.</comment><reference>tpis96</reference><elements><element B="1" /><element Cl="2" /><element O="1" /><element H="1" /></elements><condensed>False</condensed><molecular_weight>0.09872434</molecular_weight><hf298.15>-604917.444</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>2.099755170e+04</a1><a2>-2.470699169e+02</a2><a3>2.578761742e+00</a3><a4>3.120362393e-02</a4><a5>-4.545314050e-05</a5><a6>3.242011770e-08</a6><a7>-9.039822660e-12</a7><b1>-7.309028620e+04</b1><b2>1.273658611e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>5.878113790e+05</a1><a2>-2.982969317e+03</a2><a3>1.400662004e+01</a3><a4>-1.194189832e-04</a4><a5>-1.269775742e-08</a5><a6>4.422892190e-12</a6><a7>-3.004089365e-16</a7><b1>-5.824168070e+04</b1><b2>-5.150858228e+01</b2></T_range></specie><specie inp_file_name="BCl3"><identification><InChIKey>FAQYAMRNWDIXMY-UHFFFAOYSA-N</InChIKey><canonical_smiles>B(Cl)(Cl)Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>trichloroborane</IUPAC_name></identification><comment>Gurvich,1996a pt1 p76 pt2 p53.</comment><reference>tpis96</reference><elements><element B="1" /><element Cl="3" /></elements><condensed>False</condensed><molecular_weight>0.11717</molecular_weight><hf298.15>-404500.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>2.392970339e+04</a1><a2>-4.140378860e+02</a2><a3>5.488035260e+00</a3><a4>1.648395682e-02</a4><a5>-2.456196216e-05</a5><a6>1.743876340e-08</a6><a7>-4.845222140e-12</a7><b1>-4.839469840e+04</b1><b2>-1.675355198e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.417408819e+05</a1><a2>-2.921539509e+02</a2><a3>1.021668480e+01</a3><a4>-8.623637100e-05</a4><a5>1.897792088e-08</a5><a6>-2.168726841e-12</a6><a7>1.002154013e-16</a7><b1>-5.074834440e+04</b1><b2>-2.546862377e+01</b2></T_range></specie><specie inp_file_name="BF"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1996a pt1 p56 pt2 p36.</comment><reference>g10/97</reference><elements><element B="1" /><element F="1" /></elements><condensed>False</condensed><molecular_weight>0.029809403199999997</molecular_weight><hf298.15>-106931.884</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-5.238954730e+04</a1><a2>8.118476640e+02</a2><a3>-1.141614903e+00</a3><a4>1.161249417e-02</a4><a5>-1.175212617e-05</a5><a6>6.019232780e-09</a6><a7>-1.238293129e-12</a7><b1>-1.774541998e+04</b1><b2>3.005086287e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-3.746389780e+05</a1><a2>5.604493910e+02</a2><a3>3.609186110e+00</a3><a4>6.187216930e-04</a4><a5>-1.778938770e-07</a5><a6>2.426601527e-11</a6><a7>-9.394651580e-16</a7><b1>-1.819179292e+04</b1><b2>3.716609290e+00</b2></T_range></specie><specie inp_file_name="BFCl"><identification><InChIKey>JTUXXSPUWXPMJQ-UHFFFAOYSA-N</InChIKey><canonical_smiles>[B](F)Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>chloro(fluoro)boron</IUPAC_name></identification><comment>Gurvich,1996a pt1 p86 pt2 p64.</comment><reference>tpis96</reference><elements><element B="1" /><element F="1" /><element Cl="1" /></elements><condensed>False</condensed><molecular_weight>0.0652624032</molecular_weight><hf298.15>-279184.068</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-2.363512735e+04</a1><a2>4.383168980e+02</a2><a3>3.918095720e-01</a3><a4>1.719990692e-02</a4><a5>-2.139592424e-05</a5><a6>1.337389186e-08</a6><a7>-3.371164690e-12</a7><b1>-3.687166590e+04</b1><b2>2.668102752e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.086309561e+05</a1><a2>-5.233438480e+02</a2><a3>7.297504740e+00</a3><a4>-3.054410701e-05</a4><a5>-3.154598306e-08</a5><a6>1.052290533e-11</a6><a7>-7.615432260e-16</a7><b1>-3.305891210e+04</b1><b2>-1.186586595e+01</b2></T_range></specie><specie inp_file_name="BFCl2"><identification><InChIKey>RLMYPGCCNRBZOH-UHFFFAOYSA-N</InChIKey><canonical_smiles>B(F)(Cl)Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dichloro(fluoro)borane</IUPAC_name></identification><comment>Gurvich,1996a pt1 p88 pt2 p66.</comment><reference>tpis96</reference><elements><element B="1" /><element F="1" /><element Cl="2" /></elements><condensed>False</condensed><molecular_weight>0.1007154032</molecular_weight><hf298.15>-643000.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>4.402551240e+03</a1><a2>-1.571398929e+02</a2><a3>4.016322310e+00</a3><a4>1.743396078e-02</a4><a5>-2.252789060e-05</a5><a6>1.433673443e-08</a6><a7>-3.648755580e-12</a7><b1>-7.822452620e+04</b1><b2>6.886094746e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.233613309e+05</a1><a2>-6.440602960e+02</a2><a3>1.047861848e+01</a3><a4>-1.911892367e-04</a4><a5>4.224887790e-08</a5><a6>-4.847266920e-12</a6><a7>2.247974725e-16</a7><b1>-7.740626480e+04</b1><b2>-2.814630564e+01</b2></T_range></specie><specie inp_file_name="BFOH"><identification><InChIKey>YFAZDGRLQAEDPH-UHFFFAOYSA-N</InChIKey><canonical_smiles>[B](O)F</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>fluoro(hydroxy)boron</IUPAC_name></identification><comment>Gurvich,1996a pt1 p71 pt2 p48.</comment><reference>g 9/98</reference><elements><element B="1" /><element F="1" /><element O="1" /><element H="1" /></elements><condensed>False</condensed><molecular_weight>0.0468167432</molecular_weight><hf298.15>-451631.678</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-7.563953670e+04</a1><a2>1.354838128e+03</a2><a3>-5.648210110e+00</a3><a4>3.870274660e-02</a4><a5>-5.037659180e-05</a5><a6>3.339592640e-08</a6><a7>-8.847822950e-12</a7><b1>-6.194446110e+04</b1><b2>5.800362820e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>7.251318090e+05</a1><a2>-3.215620850e+03</a2><a3>1.117909777e+01</a3><a4>-1.883881929e-04</a4><a5>2.579708080e-09</a5><a6>2.665158100e-12</a6><a7>-2.186647438e-16</a7><b1>-3.716808080e+04</b1><b2>-3.978463490e+01</b2></T_range></specie><specie inp_file_name="BF(OH)2"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1996a pt1 p71 pt2 p49.</comment><reference>tpis96</reference><elements><element B="1" /><element F="1" /><element O="2" /><element H="2" /></elements><condensed>False</condensed><molecular_weight>0.06382408319999999</molecular_weight><hf298.15>-1049889.539</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.381800676e+04</a1><a2>2.529637004e+02</a2><a3>-3.844552040e+00</a3><a4>5.255140850e-02</a4><a5>-7.193117730e-05</a5><a6>4.948309910e-08</a6><a7>-1.345922496e-11</a7><b1>-1.283123258e+05</b1><b2>4.293659370e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.422037640e+06</a1><a2>-6.257297570e+03</a2><a3>1.822460686e+01</a3><a4>-3.221396450e-04</a4><a5>-7.126739900e-09</a5><a6>6.758699770e-12</a6><a7>-5.042554540e-16</a7><b1>-9.186254190e+04</b1><b2>-8.527895050e+01</b2></T_range></specie><specie inp_file_name="BF2"><identification><InChIKey>OKZIUSOJQLYFSE-UHFFFAOYSA-N</InChIKey><canonical_smiles>[B](F)F</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>difluoroboron</IUPAC_name></identification><comment>Gurvich,1996a pt1 p58 pt2 p37.</comment><reference>tpis96</reference><elements><element B="1" /><element F="2" /></elements><condensed>False</condensed><molecular_weight>0.048807806399999994</molecular_weight><hf298.15>-499426.904</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-6.787651760e+04</a1><a2>1.085903536e+03</a2><a3>-3.023320961e+00</a3><a4>2.326503687e-02</a4><a5>-2.641444147e-05</a5><a6>1.515620683e-08</a6><a7>-3.518559180e-12</a7><b1>-6.640918250e+04</b1><b2>4.431968310e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.153091296e+05</a1><a2>-8.109800120e+02</a2><a3>7.602709230e+00</a3><a4>-2.409209242e-04</a4><a5>5.328471860e-08</a5><a6>-6.118797940e-12</a6><a7>2.839984178e-16</a7><b1>-5.796222170e+04</b1><b2>-1.655644047e+01</b2></T_range></specie><specie inp_file_name="BF2+"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Chase,1998 p211.</comment><reference>j12/70</reference><elements><element B="1" /><element F="2" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.0488072578</molecular_weight><hf298.15>322586.400</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>-2.938356477e+04</a1><a2>2.955698598e+02</a2><a3>1.894274526e+00</a3><a4>1.280508319e-02</a4><a5>-1.388757254e-05</a5><a6>7.624366750e-09</a6><a7>-1.706339371e-12</a7><b1>3.598992440e+04</b1><b2>1.384803311e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.769409966e+05</a1><a2>-5.343685180e+02</a2><a3>7.728052910e+00</a3><a4>-1.958622052e-06</a4><a5>-2.419680893e-08</a5><a6>5.732533810e-12</a6><a7>-3.216354230e-16</a7><b1>3.908745050e+04</b1><b2>-1.936560315e+01</b2></T_range></specie><specie inp_file_name="BF2-"><identification><InChIKey>OKZIUSOJQLYFSE-UHFFFAOYSA-N</InChIKey><canonical_smiles>[B](F)F</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>difluoroboron</IUPAC_name></identification><comment>Gurvich,1996a pt1 p60 pt2 p38.</comment><reference>tpis96</reference><elements><element B="1" /><element F="2" /><element E="1" /></elements><condensed>False</condensed><molecular_weight>0.048808355</molecular_weight><hf298.15>-733802.963</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>2.109765318e+04</a1><a2>1.439564600e+02</a2><a3>2.604646296e-01</a3><a4>1.817373751e-02</a4><a5>-2.241565287e-05</a5><a6>1.369712886e-08</a6><a7>-3.355952680e-12</a7><b1>-8.971801780e+04</b1><b2>2.351692604e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.709920627e+05</a1><a2>-6.156219790e+02</a2><a3>7.458871370e+00</a3><a4>-1.836703248e-04</a4><a5>4.064363960e-08</a5><a6>-4.667700950e-12</a6><a7>2.166264840e-16</a7><b1>-8.741404530e+04</b1><b2>-1.620604664e+01</b2></T_range></specie><specie inp_file_name="BF2Cl"><identification><InChIKey>ARGRMFKYCQHOAU-UHFFFAOYSA-N</InChIKey><canonical_smiles>B(F)(F)Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>chloro(difluoro)borane</IUPAC_name></identification><comment>Gurvich,1996a pt1 p87 pt2 p65.</comment><reference>tpis96</reference><elements><element B="1" /><element F="2" /><element Cl="1" /></elements><condensed>False</condensed><molecular_weight>0.08426080640000001</molecular_weight><hf298.15>-888000.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>4.500101250e+03</a1><a2>-1.196284966e+02</a2><a3>3.198635140e+00</a3><a4>1.743426933e-02</a4><a5>-1.994070287e-05</a5><a6>1.125136430e-08</a6><a7>-2.544020371e-12</a7><b1>-1.076779851e+05</b1><b2>1.008195015e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.066817398e+05</a1><a2>-1.024447292e+03</a2><a3>1.075843981e+01</a3><a4>-3.023235319e-04</a4><a5>6.672521470e-08</a5><a6>-7.649941900e-12</a6><a7>3.546224500e-16</a7><b1>-1.046936725e+05</b1><b2>-3.229995036e+01</b2></T_range></specie><specie inp_file_name="BF2OH"><identification><InChIKey>OKVJWADVFPXWQD-UHFFFAOYSA-N</InChIKey><canonical_smiles>B(O)(F)F</canonical_smiles><cas_number>13867-66-8</cas_number><IUPAC_name>difluoroborinic acid</IUPAC_name></identification><comment>Gurvich,1996a pt1 p72 pt2 p50.</comment><reference>tpis96</reference><elements><element B="1" /><element F="2" /><element O="1" /><element H="1" /></elements><condensed>False</condensed><molecular_weight>0.0658151464</molecular_weight><hf298.15>-1092217.322</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-7.522521650e+03</a1><a2>4.367121690e+02</a2><a3>-3.128973474e+00</a3><a4>4.323957680e-02</a4><a5>-5.785494040e-05</a5><a6>3.885858130e-08</a6><a7>-1.038574523e-11</a7><b1>-1.344259458e+05</b1><b2>4.139170550e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>5.760759250e+05</a1><a2>-3.611900190e+03</a2><a3>1.446897640e+01</a3><a4>-3.028293733e-04</a4><a5>2.764337508e-08</a5><a6>-1.905493170e-13</a6><a7>-8.694971940e-17</a7><b1>-1.133589041e+05</b1><b2>-5.896981510e+01</b2></T_range></specie><specie inp_file_name="BF3"><identification><InChIKey>WTEOIRVLGSZEPR-UHFFFAOYSA-N</InChIKey><canonical_smiles>B(F)(F)F</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>trifluoroborane</IUPAC_name></identification><comment>Gurvich,1996a pt1 p62 pt2 p39.</comment><reference>tpis96</reference><elements><element B="1" /><element F="3" /></elements><condensed>False</condensed><molecular_weight>0.0678062096</molecular_weight><hf298.15>-1136000.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>3.465584000e+03</a1><a2>2.133198651e+01</a2><a3>1.641245191e+00</a3><a4>1.993755064e-02</a4><a5>-2.150119930e-05</a5><a6>1.145669081e-08</a6><a7>-2.442285789e-12</a7><b1>-1.379455591e+05</b1><b2>1.625533544e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.819767014e+05</a1><a2>-1.405347931e+03</a2><a3>1.103412258e+01</a3><a4>-4.104591050e-04</a4><a5>9.031277570e-08</a5><a6>-1.033057360e-11</a6><a7>4.780551830e-16</a7><b1>-1.323136863e+05</b1><b2>-3.738386080e+01</b2></T_range></specie><specie inp_file_name="BF4-"><identification><InChIKey>ODGCEQLVLXJUCC-UHFFFAOYSA-N</InChIKey><canonical_smiles>[B-](F)(F)(F)F</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>tetrafluoroborate</IUPAC_name></identification><comment>Gurvich,1996a pt1 p63 pt2 p40.</comment><reference>tpis96</reference><elements><element B="1" /><element F="4" /><element E="1" /></elements><condensed>False</condensed><molecular_weight>0.0868051614</molecular_weight><hf298.15>-1761265.998</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>2.068485200e+05</a1><a2>-2.463190805e+03</a2><a3>1.206414196e+01</a3><a4>1.102766923e-02</a4><a5>-1.751720760e-05</a5><a6>1.201346256e-08</a6><a7>-3.150588626e-12</a7><b1>-2.010569206e+05</b1><b2>-4.610826940e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-4.373241710e+05</a1><a2>-7.759289410e+02</a2><a3>1.358222575e+01</a3><a4>-2.341024178e-04</a4><a5>5.196915940e-08</a5><a6>-5.982245780e-12</a6><a7>2.781163206e-16</a7><b1>-2.127251877e+05</b1><b2>-4.953369700e+01</b2></T_range></specie><specie inp_file_name="BH"><identification><InChIKey>UWBOAQKPEXKXSU-UHFFFAOYSA-N</InChIKey><canonical_smiles>[BH]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>$l^{1}-borane</IUPAC_name></identification><comment>Bauschlicher,1990. Gurvich,1996a pt1 p28 pt2 p19.</comment><reference>g12/99</reference><elements><element B="1" /><element H="1" /></elements><condensed>False</condensed><molecular_weight>0.01181894</molecular_weight><hf298.15>448727.204</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>2.063082550e+04</a1><a2>-3.682502520e+02</a2><a3>6.071337870e+00</a3><a4>-8.728321070e-03</a4><a5>1.458566459e-05</a5><a6>-1.036840401e-08</a6><a7>2.779462579e-12</a7><b1>5.460459920e+04</b1><b2>-1.300392582e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.098531663e+06</a1><a2>-1.745890126e+02</a2><a3>8.442426810e+00</a3><a4>-5.440196670e-03</a4><a5>2.718307052e-06</a5><a6>-4.839812210e-10</a6><a7>2.868523222e-14</a7><b1>5.016735670e+04</b1><b2>-2.971030686e+01</b2></T_range></specie><specie inp_file_name="BHCl"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1996a pt1 p81 pt2 p58.</comment><reference>g 9/98</reference><elements><element B="1" /><element H="1" /><element Cl="1" /></elements><condensed>False</condensed><molecular_weight>0.04727194</molecular_weight><hf298.15>141418.307</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>4.763274910e+04</a1><a2>-4.420016520e+02</a2><a3>3.975645880e+00</a3><a4>8.541698760e-03</a4><a5>-1.377785182e-05</a5><a6>1.131521587e-08</a6><a7>-3.569659180e-12</a7><b1>1.822278428e+04</b1><b2>3.028452399e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>3.499991720e+05</a1><a2>-2.238404757e+03</a2><a3>8.711106050e+00</a3><a4>-1.088882906e-03</a4><a5>4.189301090e-07</a5><a6>-6.568711260e-11</a6><a7>3.620067600e-15</a7><b1>2.841240364e+04</b1><b2>-2.589566225e+01</b2></T_range></specie><specie inp_file_name="BHCl2"><identification><InChIKey>LHCGBIFHSCCRRG-UHFFFAOYSA-N</InChIKey><canonical_smiles>B(Cl)Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dichloroborane</IUPAC_name></identification><comment>Gurvich,1996a pt1 p82 pt2 p60.</comment><reference>tpis96</reference><elements><element B="1" /><element H="1" /><element Cl="2" /></elements><condensed>False</condensed><molecular_weight>0.08272494</molecular_weight><hf298.15>-251883.529</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>4.419914810e+04</a1><a2>-2.384739577e+02</a2><a3>1.356682235e+00</a3><a4>2.517866897e-02</a4><a5>-3.632910400e-05</a5><a6>2.644335581e-08</a6><a7>-7.625044110e-12</a7><b1>-3.003877914e+04</b1><b2>1.787024616e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>4.110996060e+05</a1><a2>-2.858027441e+03</a2><a3>1.179547506e+01</a3><a4>-6.322817970e-04</a4><a5>1.269551549e-07</a5><a6>-1.352862344e-11</a6><a7>5.921653510e-16</a7><b1>-1.617288760e+04</b1><b2>-4.217900972e+01</b2></T_range></specie><specie inp_file_name="BHF"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1996a pt1 p68 pt2 p45.</comment><reference>g 9/98</reference><elements><element B="1" /><element H="1" /><element F="1" /></elements><condensed>False</condensed><molecular_weight>0.0308173432</molecular_weight><hf298.15>-76012.343</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-4.908362260e+04</a1><a2>9.610760210e+02</a2><a3>-2.919850316e+00</a3><a4>2.149156633e-02</a4><a5>-2.595677863e-05</a5><a6>1.693492714e-08</a6><a7>-4.553648840e-12</a7><b1>-1.466925195e+04</b1><b2>4.160709310e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.184821300e+06</a1><a2>-4.677435180e+03</a2><a3>1.067328148e+01</a3><a4>-1.606366598e-03</a4><a5>3.704534700e-07</a5><a6>-3.797882750e-11</a6><a7>1.432441145e-15</a7><b1>1.802640937e+04</b1><b2>-4.285931170e+01</b2></T_range></specie><specie inp_file_name="BHFCl"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1996a pt1 p90 pt2 p69.</comment><reference>tpis96</reference><elements><element B="1" /><element H="1" /><element F="1" /><element Cl="1" /></elements><condensed>False</condensed><molecular_weight>0.0662703432</molecular_weight><hf298.15>-483036.620</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>5.761169720e+02</a1><a2>3.042156250e+02</a2><a3>-9.808900360e-01</a3><a4>2.803843648e-02</a4><a5>-3.676734020e-05</a5><a6>2.499824138e-08</a6><a7>-6.873421640e-12</a7><b1>-6.050207390e+04</b1><b2>3.132842092e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>4.390778920e+05</a1><a2>-3.137181709e+03</a2><a3>1.200286161e+01</a3><a4>-7.153669340e-04</a4><a5>1.453878608e-07</a5><a6>-1.565197070e-11</a6><a7>6.910075060e-16</a7><b1>-4.232368340e+04</b1><b2>-4.466542881e+01</b2></T_range></specie><specie inp_file_name="BHF2"><identification><InChIKey>LRZMJFRZMNWFKE-UHFFFAOYSA-N</InChIKey><canonical_smiles>B(F)F</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>difluoroborane</IUPAC_name></identification><comment>Gurvich,1996a pt1 p69 pt2 p47.</comment><reference>tpis96</reference><elements><element B="1" /><element H="1" /><element F="2" /></elements><condensed>False</condensed><molecular_weight>0.0498157464</molecular_weight><hf298.15>-739613.811</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-8.353540280e+04</a1><a2>1.616659766e+03</a2><a3>-8.161405670e+00</a3><a4>4.153786790e-02</a4><a5>-4.921063280e-05</a5><a6>3.054165306e-08</a6><a7>-7.786813980e-12</a7><b1>-9.748065460e+04</b1><b2>7.038630750e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>4.660876960e+05</a1><a2>-3.728100490e+03</a2><a3>1.244152658e+01</a3><a4>-8.906843190e-04</a4><a5>1.841732568e-07</a5><a6>-2.010774349e-11</a6><a7>8.979196590e-16</a7><b1>-6.978142930e+04</b1><b2>-5.103218040e+01</b2></T_range></specie><specie inp_file_name="BH2"><identification><InChIKey>IOCVPZINIZVUIL-UHFFFAOYSA-N</InChIKey><canonical_smiles>[BH2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>$l^{2}-borane</IUPAC_name></identification><comment>Jacox,1994. Kolbuszewski,1996. Gurvich,1996a p32.</comment><reference>g 2/00</reference><elements><element B="1" /><element H="2" /></elements><condensed>False</condensed><molecular_weight>0.012826879999999999</molecular_weight><hf298.15>328909.059</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>2.812557296e+04</a1><a2>-3.000083489e+02</a2><a3>4.824221000e+00</a3><a4>-2.186429819e-04</a4><a5>1.485457398e-06</a5><a6>3.893739680e-10</a6><a7>-6.331629390e-13</a7><b1>3.991988420e+04</b1><b2>-5.042682850e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.360117365e+06</a1><a2>-4.917704490e+03</a2><a3>9.758971030e+00</a3><a4>-7.415870640e-04</a4><a5>1.269760019e-07</a5><a6>-1.187742442e-11</a6><a7>4.682552510e-16</a7><b1>6.890292660e+04</b1><b2>-4.190490120e+01</b2></T_range></specie><specie inp_file_name="BH2Cl"><identification><InChIKey>UOALEFQKAOQICC-UHFFFAOYSA-N</InChIKey><canonical_smiles>BCl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>chloroborane</IUPAC_name></identification><comment>Gurvich,1996a pt1 p82 pt2 p59.</comment><reference>tpis96</reference><elements><element B="1" /><element H="2" /><element Cl="1" /></elements><condensed>False</condensed><molecular_weight>0.04827988</molecular_weight><hf298.15>-80845.754</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.646638117e+04</a1><a2>1.277320942e+02</a2><a3>1.300268921e-01</a3><a4>1.938143193e-02</a4><a5>-2.316389616e-05</a5><a6>1.607896164e-08</a6><a7>-4.668337650e-12</a7><b1>-1.112112215e+04</b1><b2>2.308500112e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.427215437e+06</a1><a2>-6.265564340e+03</a2><a3>1.382183005e+01</a3><a4>-1.313843556e-03</a4><a5>2.587131606e-07</a5><a6>-2.713845270e-11</a6><a7>1.172827257e-15</a7><b1>2.639387516e+04</b1><b2>-6.399725308e+01</b2></T_range></specie><specie inp_file_name="BH2F"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1996a pt1 p69 pt2 p46.</comment><reference>tpis96</reference><elements><element B="1" /><element H="2" /><element F="1" /></elements><condensed>False</condensed><molecular_weight>0.0318252832</molecular_weight><hf298.15>-323956.732</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-8.837920440e+04</a1><a2>1.705285929e+03</a2><a3>-8.061246130e+00</a3><a4>3.643188680e-02</a4><a5>-4.152482550e-05</a5><a6>2.620135756e-08</a6><a7>-6.930886410e-12</a7><b1>-4.787273410e+04</b1><b2>6.862087670e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.435082111e+06</a1><a2>-6.625320170e+03</a2><a3>1.409165008e+01</a3><a4>-1.422469060e-03</a4><a5>2.828724718e-07</a5><a6>-2.992498948e-11</a6><a7>1.302618926e-15</a7><b1>-7.937192670e+02</b1><b2>-6.801356400e+01</b2></T_range></specie><specie inp_file_name="BH3"><identification><InChIKey>UORVGPXVDQYIDP-UHFFFAOYSA-N</InChIKey><canonical_smiles>B</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>borane</IUPAC_name></identification><comment>Allendorf,1997. Jacox,1998 p212. Martin,J.M.L.,1992.</comment><reference>g 1/00</reference><elements><element B="1" /><element H="3" /></elements><condensed>False</condensed><molecular_weight>0.013834820000000001</molecular_weight><hf298.15>104746.599</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-6.619635070e+04</a1><a2>1.262658391e+03</a2><a3>-4.654355900e+00</a3><a4>2.461795131e-02</a4><a5>-2.501537437e-05</a5><a6>1.562330756e-08</a6><a7>-4.323949480e-12</a7><b1>5.667587980e+03</b1><b2>4.666504620e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.855778950e+06</a1><a2>-8.002492370e+03</a2><a3>1.505692199e+01</a3><a4>-1.790456689e-03</a4><a5>3.612511100e-07</a5><a6>-3.866035910e-11</a6><a7>1.698508879e-15</a7><b1>5.967537070e+04</b1><b2>-7.994046160e+01</b2></T_range></specie><specie inp_file_name="BH4"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Radical. Saxon,1993. Yu,1998.</comment><reference>g 5/00</reference><elements><element B="1" /><element H="4" /></elements><condensed>False</condensed><molecular_weight>0.01484276</molecular_weight><hf298.15>255210.477</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>2.734274578e+04</a1><a2>-8.473619380e+01</a2><a3>1.551871695e+00</a3><a4>1.439765491e-02</a4><a5>-6.111152360e-06</a5><a6>-1.324417559e-10</a6><a7>5.133008150e-13</a7><b1>3.022048074e+04</b1><b2>1.250358328e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.354714146e+06</a1><a2>-7.870762750e+03</a2><a3>1.826170610e+01</a3><a4>-1.948275329e-03</a4><a5>4.072706890e-07</a5><a6>-4.482710900e-11</a6><a7>2.014115885e-15</a7><b1>7.470249490e+04</b1><b2>-9.686086890e+01</b2></T_range></specie><specie inp_file_name="BH5"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Schreiner,1994.</comment><reference>g 8/00</reference><elements><element B="1" /><element H="5" /></elements><condensed>False</condensed><molecular_weight>0.0158507</molecular_weight><hf298.15>92933.658</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-5.603075360e+04</a1><a2>1.457641959e+03</a2><a3>-8.245037630e+00</a3><a4>4.817478230e-02</a4><a5>-5.535104700e-05</a5><a6>3.578299590e-08</a6><a7>-9.717757500e-12</a7><b1>3.424238930e+03</b1><b2>6.695881520e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>2.472199159e+06</a1><a2>-1.110339842e+04</a2><a3>2.243395706e+01</a3><a4>-2.121632568e-03</a4><a5>4.038994240e-07</a5><a6>-4.121910490e-11</a6><a7>1.741706383e-15</a7><b1>7.561744630e+04</b1><b2>-1.243306259e+02</b2></T_range></specie><specie inp_file_name="BH3NH3"><identification><InChIKey>WZMUUWMLOCZETI-UHFFFAOYSA-N</InChIKey><canonical_smiles>B.N</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>azane;borane</IUPAC_name></identification><comment>Gurvich,1996a pt1 p106 pt2 p84.</comment><reference>tpis96</reference><elements><element B="1" /><element H="6" /><element N="1" /></elements><condensed>False</condensed><molecular_weight>0.030865339999999998</molecular_weight><hf298.15>-115000.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.811063598e+05</a1><a2>3.010341543e+03</a2><a3>-1.524271135e+01</a3><a4>6.215637750e-02</a4><a5>-5.959881850e-05</a5><a6>3.267429360e-08</a6><a7>-7.751243090e-12</a7><b1>-2.934278877e+04</b1><b2>1.087399608e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>4.354925960e+06</a1><a2>-1.824235232e+04</a2><a3>3.162999830e+01</a3><a4>-3.208243610e-03</a4><a5>5.885075450e-07</a5><a6>-5.808535530e-11</a6><a7>2.382578600e-15</a7><b1>9.438118030e+04</b1><b2>-1.897865799e+02</b2></T_range></specie><specie inp_file_name="BI"><identification><InChIKey>CYCKJHKQOAKCBE-UHFFFAOYSA-N</InChIKey><canonical_smiles>[B]I</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>iodoboron</IUPAC_name></identification><comment>Gurvich,1996a pt1 p94 pt2 p73.</comment><reference>g 9/98</reference><elements><element B="1" /><element I="1" /></elements><condensed>False</condensed><molecular_weight>0.13771547</molecular_weight><hf298.15>325987.502</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>3.517449530e+04</a1><a2>-5.445819300e+02</a2><a3>6.027511010e+00</a3><a4>-2.387237926e-03</a4><a5>2.244796277e-06</a5><a6>-1.110001347e-09</a6><a7>2.280204403e-13</a7><b1>4.071910130e+04</b1><b2>-7.288049840e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>2.132872626e+06</a1><a2>-6.283684960e+03</a2><a3>1.123964343e+01</a3><a4>-3.258856750e-03</a4><a5>7.064282150e-07</a5><a6>-4.230068930e-11</a6><a7>-4.208078470e-16</a7><b1>7.797634810e+04</b1><b2>-4.664042610e+01</b2></T_range></specie><specie inp_file_name="BI2"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1996a pt1 p95 pt2 p74.</comment><reference>g 9/98</reference><elements><element B="1" /><element I="2" /></elements><condensed>False</condensed><molecular_weight>0.26461994</molecular_weight><hf298.15>238096.324</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>6.640975900e+04</a1><a2>-1.044411994e+03</a2><a3>9.734197240e+00</a3><a4>-3.952557540e-03</a4><a5>3.165567780e-06</a5><a6>-1.273764644e-09</a6><a7>1.879968132e-13</a7><b1>3.205750890e+04</b1><b2>-2.012407058e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-3.924022230e+05</a1><a2>4.422902350e+02</a2><a3>7.129623580e+00</a3><a4>-5.619634060e-04</a4><a5>3.180760520e-07</a5><a6>-5.537079720e-11</a6><a7>3.183959700e-15</a7><b1>2.291972638e+04</b1><b2>-3.201793240e+00</b2></T_range></specie><specie inp_file_name="BI3"><identification><InChIKey>YMEKEHSRPZAOGO-UHFFFAOYSA-N</InChIKey><canonical_smiles>B(I)(I)I</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>triiodoborane</IUPAC_name></identification><comment>Gurvich,1996a pt1 p96 pt2 p75.</comment><reference>tpis96</reference><elements><element B="1" /><element I="3" /></elements><condensed>False</condensed><molecular_weight>0.39152441</molecular_weight><hf298.15>21400.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>6.243114890e+04</a1><a2>-1.002408628e+03</a2><a3>1.106650075e+01</a3><a4>1.609588058e-03</a4><a5>-5.147250250e-06</a5><a6>4.732514020e-09</a6><a7>-1.512999796e-12</a7><b1>5.160348150e+03</b1><b2>-2.420687643e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.506176506e+05</a1><a2>-8.167210610e+01</a2><a3>1.005937867e+01</a3><a4>-2.319396215e-05</a4><a5>5.019966730e-09</a5><a6>-5.654349630e-13</a6><a7>2.580651348e-17</a7><b1>-4.261687910e+02</b1><b2>-1.617962779e+01</b2></T_range></specie><specie inp_file_name="BN"><identification><InChIKey>PZNSFCLAULLKQX-UHFFFAOYSA-N</InChIKey><canonical_smiles>B#N</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>azanylidyneborane</IUPAC_name></identification><comment>Gurvich,1996a pt1 p104 pt2 p83.</comment><reference>g 9/98</reference><elements><element B="1" /><element N="1" /></elements><condensed>False</condensed><molecular_weight>0.024817699999999998</molecular_weight><hf298.15>574726.408</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-4.569707580e+04</a1><a2>6.704286070e+02</a2><a3>3.615089080e-02</a3><a4>7.339487510e-03</a4><a5>-4.969033490e-06</a5><a6>1.229031380e-09</a6><a7>6.340281520e-14</a7><b1>6.485465080e+04</b1><b2>2.539869896e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.276932705e+05</a1><a2>-1.025649298e+02</a2><a3>4.414586810e+00</a3><a4>2.561670989e-04</a4><a5>-1.612994942e-08</a5><a6>-6.526052930e-13</a6><a7>5.749466120e-17</a7><b1>6.784465130e+04</b1><b2>-6.778568656e-01</b2></T_range></specie><specie inp_file_name="BO"><identification><InChIKey>MOWNZPNSYMGTMD-UHFFFAOYSA-N</InChIKey><canonical_smiles>[B]=O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>oxoboron</IUPAC_name></identification><comment>Gurvich,1996a pt1 p10 pt2 p8.</comment><reference>g 9/98</reference><elements><element B="1" /><element O="1" /></elements><condensed>False</condensed><molecular_weight>0.0268104</molecular_weight><hf298.15>20406.404</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.166216822e+04</a1><a2>9.217579390e+01</a2><a3>3.655498490e+00</a3><a4>-3.118542920e-03</a4><a5>9.008329830e-06</a5><a6>-8.017789990e-09</a6><a7>2.472952292e-12</a7><b1>8.738284780e+02</b1><b2>4.482847390e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.788600589e+04</a1><a2>-6.309019630e+02</a2><a3>4.574528400e+00</a3><a4>1.988001643e-04</a4><a5>-9.702963480e-08</a5><a6>1.870854291e-11</a6><a7>-1.030218131e-15</a7><b1>4.841311090e+03</b1><b2>-3.398890580e+00</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>-1.592699514e+08</a1><a2>1.210955629e+05</a2><a3>-3.136823502e+01</a3><a4>5.110037760e-03</a4><a5>-3.461020740e-07</a5><a6>1.148046833e-11</a6><a7>-1.504899225e-16</a7><b1>-9.345065760e+05</b1><b2>3.026123907e+02</b2></T_range></specie><specie inp_file_name="BO-"><identification><InChIKey>MOWNZPNSYMGTMD-UHFFFAOYSA-N</InChIKey><canonical_smiles>[B]=O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>oxoboron</IUPAC_name></identification><comment>Gurvich,1996a pt1 p13 pt2 p10.</comment><reference>g 9/98</reference><elements><element B="1" /><element O="1" /><element E="1" /></elements><condensed>False</condensed><molecular_weight>0.0268109486</molecular_weight><hf298.15>-277791.076</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>-8.242023210e+04</a1><a2>9.203636900e+02</a2><a3>-2.302659981e-01</a3><a4>6.229904120e-03</a4><a5>-3.157624391e-06</a5><a6>1.184578107e-10</a6><a7>2.819228693e-13</a7><b1>-3.911141220e+04</b1><b2>2.599226838e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>2.122804369e+05</a1><a2>-1.262124688e+03</a2><a3>5.383167310e+00</a3><a4>-3.181049100e-04</a4><a5>7.288988250e-08</a5><a6>-8.141708920e-12</a6><a7>3.715364390e-16</a7><b1>-2.706892261e+04</b1><b2>-9.773753670e+00</b2></T_range></specie><specie inp_file_name="BOCl"><identification><InChIKey>KEIVHDSRCXJQOU-UHFFFAOYSA-N</InChIKey><canonical_smiles>B(=O)Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>chloro(oxo)borane</IUPAC_name></identification><comment>Gurvich,1996a pt1 p79 pt2 p55.</comment><reference>tpis96</reference><elements><element B="1" /><element O="1" /><element Cl="1" /></elements><condensed>False</condensed><molecular_weight>0.062263399999999997</molecular_weight><hf298.15>-318536.695</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>7.052380640e+04</a1><a2>-1.315301429e+03</a2><a3>1.130087727e+01</a3><a4>-1.207112050e-02</a4><a5>1.880516131e-05</a5><a6>-1.373823975e-08</a6><a7>3.854890160e-12</a7><b1>-3.355399100e+04</b1><b2>-3.698462517e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.557148487e+05</a1><a2>-1.446254968e+03</a2><a3>8.509448050e+00</a3><a4>-3.859007380e-04</a4><a5>8.262268820e-08</a5><a6>-9.261027460e-12</a6><a7>4.219998010e-16</a7><b1>-3.203589040e+04</b1><b2>-2.372713292e+01</b2></T_range></specie><specie inp_file_name="BOCl2"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1996a pt1 p79 pt2 p56.</comment><reference>tpis96</reference><elements><element B="1" /><element O="1" /><element Cl="2" /></elements><condensed>False</condensed><molecular_weight>0.0977164</molecular_weight><hf298.15>-361565.512</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>7.322667360e+03</a1><a2>-2.027726965e+02</a2><a3>4.161924090e+00</a3><a4>1.733309456e-02</a4><a5>-2.263908718e-05</a5><a6>1.452275190e-08</a6><a7>-3.719593120e-12</a7><b1>-4.414441880e+04</b1><b2>6.520424110e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.297527041e+05</a1><a2>-6.194567930e+02</a2><a3>1.046075518e+01</a3><a4>-1.841620739e-04</a4><a5>4.071215430e-08</a5><a6>-4.672246550e-12</a6><a7>2.167237536e-16</a7><b1>-4.371538420e+04</b1><b2>-2.743570215e+01</b2></T_range></specie><specie inp_file_name="BOF"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1996a pt1 p65 pt2 p42.</comment><reference>tpis96</reference><elements><element B="1" /><element O="1" 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Tlow="1000.0"><a1>3.855865890e+04</a1><a2>-2.928842655e+03</a2><a3>1.792063736e+01</a3><a4>-9.523998270e-04</a4><a5>1.614708845e-07</a5><a6>-1.428613504e-11</a6><a7>5.218739670e-16</a7><b1>-1.613051924e+05</b1><b2>-7.184803250e+01</b2></T_range></specie><specie inp_file_name="B2H"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Adams,1989. Yu,1998.</comment><reference>g 7/00</reference><elements><element B="2" /><element H="1" /></elements><condensed>False</condensed><molecular_weight>0.02262994</molecular_weight><hf298.15>796262.497</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>8.775579740e+04</a1><a2>-1.343931564e+03</a2><a3>9.832099150e+00</a3><a4>-5.607137750e-03</a4><a5>5.730651050e-06</a5><a6>-2.266436197e-09</a6><a7>1.972352080e-13</a7><b1>1.009908698e+05</b1><b2>-3.282461480e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>6.175545750e+05</a1><a2>-2.627897466e+03</a2><a3>9.084905070e+00</a3><a4>-5.389418330e-04</a4><a5>1.050714700e-07</a5><a6>-1.092459556e-11</a6><a7>4.684854660e-16</a7><b1>1.099537555e+05</b1><b2>-3.164029910e+01</b2></T_range></specie><specie inp_file_name="B2H2"><identification><InChIKey>MZHPLFFGWZKAKM-UHFFFAOYSA-N</InChIKey><canonical_smiles>[BH].[BH]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>$l^{1}-borane</IUPAC_name></identification><comment>Curtiss,1989a. Yu,1998.</comment><reference>g 7/00</reference><elements><element B="2" /><element H="2" /></elements><condensed>False</condensed><molecular_weight>0.02363788</molecular_weight><hf298.15>454677.939</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.421617322e+05</a1><a2>-2.138011262e+03</a2><a3>1.317732399e+01</a3><a4>-8.942658070e-03</a4><a5>1.127804935e-05</a5><a6>-5.787886200e-09</a6><a7>1.000813871e-12</a7><b1>6.372319250e+04</b1><b2>-5.346982740e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.240614592e+06</a1><a2>-5.368965020e+03</a2><a3>1.379292454e+01</a3><a4>-1.136749748e-03</a4><a5>2.245617156e-07</a5><a6>-2.361530467e-11</a6><a7>1.022604572e-15</a7><b1>8.506511490e+04</b1><b2>-6.435461300e+01</b2></T_range></specie><specie inp_file_name="B2H3"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Adams,1989. Yu,1998.</comment><reference>g 6/00</reference><elements><element B="2" /><element H="3" /></elements><condensed>False</condensed><molecular_weight>0.02464582</molecular_weight><hf298.15>351072.721</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>9.425147160e+04</a1><a2>-1.075866284e+03</a2><a3>6.383999390e+00</a3><a4>1.167858327e-02</a4><a5>-1.429661252e-05</a5><a6>1.128776882e-08</a6><a7>-3.681325060e-12</a7><b1>4.635335080e+04</b1><b2>-1.400002845e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.771506902e+06</a1><a2>-7.872260930e+03</a2><a3>1.789447015e+01</a3><a4>-1.709304785e-03</a4><a5>3.409575430e-07</a5><a6>-3.614543680e-11</a6><a7>1.575671409e-15</a7><b1>8.737711890e+04</b1><b2>-9.054629460e+01</b2></T_range></specie><specie inp_file_name="B2H3,db"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>2-Bridges. Adams,1989. Yu,1998.</comment><reference>g 7/00</reference><elements><element B="2" /><element H="3" /></elements><condensed>False</condensed><molecular_weight>0.02464582</molecular_weight><hf298.15>353408.227</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>6.064014840e+04</a1><a2>-7.524466330e+02</a2><a3>5.584483840e+00</a3><a4>1.080468494e-02</a4><a5>-8.649032810e-06</a5><a6>4.748333310e-09</a6><a7>-1.309096028e-12</a7><b1>4.491792300e+04</b1><b2>-8.873686820e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.497731017e+06</a1><a2>-7.219314140e+03</a2><a3>1.750463766e+01</a3><a4>-1.579698800e-03</a4><a5>3.164103470e-07</a5><a6>-3.367225150e-11</a6><a7>1.472919654e-15</a7><b1>8.324349670e+04</b1><b2>-8.779549260e+01</b2></T_range></specie><specie inp_file_name="B2H4"><identification><InChIKey>QSJRRLWJRLPVID-UHFFFAOYSA-N</InChIKey><canonical_smiles>BB</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>boranylborane</IUPAC_name></identification><comment>1-Bridge. Ruscic,1989b. Curtiss,1989b.</comment><reference>g 8/00</reference><elements><element B="2" /><element H="4" /></elements><condensed>False</condensed><molecular_weight>0.025653759999999998</molecular_weight><hf298.15>211162.059</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>4.000132300e+04</a1><a2>-3.071548876e+02</a2><a3>1.763071673e+00</a3><a4>2.646361882e-02</a4><a5>-3.066168202e-05</a5><a6>2.163781936e-08</a6><a7>-6.491835410e-12</a7><b1>2.581033714e+04</b1><b2>1.015267130e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>2.292078842e+06</a1><a2>-1.059832517e+04</a2><a3>2.268612155e+01</a3><a4>-2.363586598e-03</a4><a5>4.762173070e-07</a5><a6>-5.090100400e-11</a6><a7>2.233911590e-15</a7><b1>8.638591980e+04</b1><b2>-1.246794566e+02</b2></T_range></specie><specie inp_file_name="B2H4,db"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>2-Bridges.Ruscic,1989b. Curtiss,1989b.</comment><reference>g 7/00</reference><elements><element B="2" /><element H="4" /></elements><condensed>False</condensed><molecular_weight>0.025653759999999998</molecular_weight><hf298.15>209932.448</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.781496923e+04</a1><a2>5.716048040e+02</a2><a3>-2.763085348e+00</a3><a4>3.125348696e-02</a4><a5>-2.709524346e-05</a5><a6>1.341728634e-08</a6><a7>-3.004352798e-12</a7><b1>2.158138307e+04</b1><b2>3.675872940e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.886854256e+06</a1><a2>-1.010045614e+04</a2><a3>2.247110812e+01</a3><a4>-2.319968667e-03</a4><a5>4.731879960e-07</a5><a6>-5.110673030e-11</a6><a7>2.262693782e-15</a7><b1>8.233487000e+04</b1><b2>-1.237455797e+02</b2></T_range></specie><specie inp_file_name="B2H5"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>1-Bridge. Ruscic,1989a. Trachtman,1990.</comment><reference>g 5/00</reference><elements><element B="2" /><element H="5" /></elements><condensed>False</condensed><molecular_weight>0.0266617</molecular_weight><hf298.15>254783.889</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>3.830965450e+04</a1><a2>-4.066148050e+01</a2><a3>-1.422523787e+00</a3><a4>3.674595270e-02</a4><a5>-3.851989710e-05</a5><a6>2.444494440e-08</a6><a7>-6.821722940e-12</a7><b1>3.008956452e+04</b1><b2>2.802425895e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>2.696691012e+06</a1><a2>-1.320019835e+04</a2><a3>2.735260413e+01</a3><a4>-2.961879012e-03</a4><a5>5.984999430e-07</a5><a6>-6.413748550e-11</a6><a7>2.821187823e-15</a7><b1>1.064524901e+05</b1><b2>-1.559654379e+02</b2></T_range></specie><specie inp_file_name="B2H5,db"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>2-Bridges. Ruscic,1989a. Trachtman,1990.</comment><reference>g 5/00</reference><elements><element B="2" /><element H="5" /></elements><condensed>False</condensed><molecular_weight>0.0266617</molecular_weight><hf298.15>275150.616</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.424446027e+04</a1><a2>4.204558200e+02</a2><a3>-3.700451250e+00</a3><a4>3.672053100e-02</a4><a5>-3.193503730e-05</a5><a6>1.695013434e-08</a6><a7>-4.257038140e-12</a7><b1>3.046684683e+04</b1><b2>4.245495820e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>2.571729448e+06</a1><a2>-1.356829858e+04</a2><a3>2.781376038e+01</a3><a4>-3.192365030e-03</a4><a5>6.561165260e-07</a5><a6>-7.127333940e-11</a6><a7>3.169492650e-15</a7><b1>1.106370527e+05</b1><b2>-1.597214457e+02</b2></T_range></specie><specie inp_file_name="B2H6"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Hf:Gurvich,1996a pt1 p37. Yu,1998. Duncan,1985.</comment><reference>g 5/00</reference><elements><element B="2" /><element H="6" /></elements><condensed>False</condensed><molecular_weight>0.027669640000000002</molecular_weight><hf298.15>36600.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.052844558e+04</a1><a2>1.041795556e+03</a2><a3>-8.960518860e+00</a3><a4>5.492480880e-02</a4><a5>-5.305197050e-05</a5><a6>3.011904756e-08</a6><a7>-7.688768300e-12</a7><b1>-9.259374350e+02</b1><b2>6.812592430e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>2.835765414e+06</a1><a2>-1.567600163e+04</a2><a3>3.226122330e+01</a3><a4>-3.738609730e-03</a4><a5>7.718806460e-07</a5><a6>-8.414454540e-11</a6><a7>3.752223380e-15</a7><b1>9.358378550e+04</b1><b2>-1.920223395e+02</b2></T_range></specie><specie inp_file_name="B2O"><identification><InChIKey>OOTZEVIJRZYQDW-UHFFFAOYSA-N</InChIKey><canonical_smiles>[B]O[B]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>$l^{1}-boranyloxyboron</IUPAC_name></identification><comment>Gurvich,1996a pt1 p19 pt2 p14.</comment><reference>g 9/98</reference><elements><element B="2" /><element O="1" /></elements><condensed>False</condensed><molecular_weight>0.0376214</molecular_weight><hf298.15>192798.018</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-5.699546760e+04</a1><a2>1.018000465e+03</a2><a3>-2.636481947e+00</a3><a4>2.746009279e-02</a4><a5>-3.632432720e-05</a5><a6>2.406890217e-08</a6><a7>-6.384129720e-12</a7><b1>1.703874394e+04</b1><b2>3.855346110e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.628723220e+05</a1><a2>-3.876289810e+02</a2><a3>7.787723520e+00</a3><a4>-1.146822108e-04</a4><a5>2.528097612e-08</a5><a6>-2.893783941e-12</a6><a7>1.339210475e-16</a7><b1>2.263035354e+04</b1><b2>-1.908513011e+01</b2></T_range></specie><specie inp_file_name="B2O2"><identification><InChIKey>MTKRXXSLFWZJTB-UHFFFAOYSA-N</InChIKey><canonical_smiles>B(=O)B=O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>oxo(oxoboranyl)borane</IUPAC_name></identification><comment>Gurvich,1996a pt1 p19 pt2 p15.</comment><reference>tpis96</reference><elements><element B="2" /><element O="2" /></elements><condensed>False</condensed><molecular_weight>0.0536208</molecular_weight><hf298.15>-457711.486</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>8.174391690e+04</a1><a2>-1.732702797e+03</a2><a3>1.605560926e+01</a3><a4>-2.160057288e-02</a4><a5>3.566854570e-05</a5><a6>-2.660198794e-08</a6><a7>7.531833240e-12</a7><b1>-4.899632900e+04</b1><b2>-6.172702390e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>4.605789660e+05</a1><a2>-2.990079203e+03</a2><a3>1.256764079e+01</a3><a4>-7.850974950e-04</a4><a5>1.672537624e-07</a5><a6>-1.867694780e-11</a6><a7>8.486190670e-16</a7><b1>-4.015748150e+04</b1><b2>-4.874413710e+01</b2></T_range></specie><specie inp_file_name="B2O3"><identification><InChIKey>JKWMSGQKBLHBQQ-UHFFFAOYSA-N</InChIKey><canonical_smiles>B(=O)OB=O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>oxo(oxoboranyloxy)borane</IUPAC_name></identification><comment>Gurvich,1996a pt1 p25 pt2 p18.</comment><reference>tpis96</reference><elements><element B="2" /><element O="3" /></elements><condensed>False</condensed><molecular_weight>0.0696202</molecular_weight><hf298.15>-835382.271</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>7.379611910e+04</a1><a2>-1.263620592e+03</a2><a3>1.072681512e+01</a3><a4>3.841383720e-04</a4><a5>5.976058380e-06</a5><a6>-6.552891350e-09</a6><a7>2.123951064e-12</a7><b1>-9.628183140e+04</b1><b2>-3.088078011e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>3.905035300e+05</a1><a2>-3.691348210e+03</a2><a3>1.555502598e+01</a3><a4>-9.707645510e-04</a4><a5>2.068887872e-07</a5><a6>-2.310858356e-11</a6><a7>1.050136734e-15</a7><b1>-8.263054410e+04</b1><b2>-6.390863440e+01</b2></T_range></specie><specie inp_file_name="B2(OH)4"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1996a pt1 p52 pt2 p33.</comment><reference>g 9/98</reference><elements><element B="2" /><element O="4" /><element H="4" /></elements><condensed>False</condensed><molecular_weight>0.08965136</molecular_weight><hf298.15>-1254987.531</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.728717249e+04</a1><a2>8.495913480e+02</a2><a3>-8.715959570e+00</a3><a4>9.362362610e-02</a4><a5>-1.278784165e-04</a5><a6>8.813671160e-08</a6><a7>-2.400605571e-11</a7><b1>-1.564337133e+05</b1><b2>7.120169310e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>2.983925656e+06</a1><a2>-1.207469577e+04</a2><a3>3.162610570e+01</a3><a4>-5.163682440e-04</a4><a5>-4.232093970e-08</a5><a6>1.671977280e-11</a6><a7>-1.156366726e-15</a7><b1>-8.280976970e+04</b1><b2>-1.653010498e+02</b2></T_range></specie><specie inp_file_name="B2S"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1996a pt1 p100, pt2 p78.</comment><reference>g 9/98</reference><elements><element B="2" /><element S="1" /></elements><condensed>False</condensed><molecular_weight>0.053687</molecular_weight><hf298.15>622260.705</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>6.638609300e+04</a1><a2>-9.201185690e+02</a2><a3>8.699831340e+00</a3><a4>7.645589010e-04</a4><a5>-3.709026030e-06</a5><a6>3.642373980e-09</a6><a7>-1.197766071e-12</a7><b1>7.770375800e+04</b1><b2>-2.251712444e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.211501483e+05</a1><a2>-6.473398450e+01</a2><a3>7.546825610e+00</a3><a4>-1.820541450e-05</a4><a5>3.923951170e-09</a5><a6>-4.403862380e-13</a6><a7>2.003651718e-17</a7><b1>7.258531870e+04</b1><b2>-1.394971229e+01</b2></T_range></specie><specie inp_file_name="B2S2"><identification><InChIKey>ZMENGFLNCPAHOE-UHFFFAOYSA-N</InChIKey><canonical_smiles>[B-](=S)B=S</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>sulfanylidene(sulfanylideneboranyl)boron(1-)</IUPAC_name></identification><comment>Gurvich,1996a pt1 p100 pt2 p79.</comment><reference>tpis96</reference><elements><element B="2" /><element S="2" /></elements><condensed>False</condensed><molecular_weight>0.085752</molecular_weight><hf298.15>138317.112</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-7.061549970e+04</a1><a2>7.182944780e+02</a2><a3>1.919797788e+00</a3><a4>2.036407461e-02</a4><a5>-2.309813846e-05</a5><a6>1.311616725e-08</a6><a7>-2.996394781e-12</a7><b1>1.100829019e+04</b1><b2>1.855402586e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.641535014e+05</a1><a2>-7.742865640e+02</a2><a3>1.107731737e+01</a3><a4>-2.313278554e-04</a4><a5>5.125614290e-08</a5><a6>-5.894081230e-12</a6><a7>2.738673834e-16</a7><b1>1.733003515e+04</b1><b2>-3.359766998e+01</b2></T_range></specie><specie inp_file_name="B2S3"><identification><InChIKey>DOETWHQWULDEQU-UHFFFAOYSA-N</InChIKey><canonical_smiles>B(=S)B=S=S</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>sulfanylidene-(sulfanylidene-$l^{4}-sulfanylidene)boranylborane</IUPAC_name></identification><comment>Gurvich,1996a pt1 p102 pt2 p81.</comment><reference>tpis96</reference><elements><element B="2" /><element S="3" /></elements><condensed>False</condensed><molecular_weight>0.11781699999999999</molecular_weight><hf298.15>17754.057</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-3.431268500e+04</a1><a2>5.587615370e+02</a2><a3>3.414077410e+00</a3><a4>2.398333891e-02</a4><a5>-2.841617637e-05</a5><a6>1.690005199e-08</a6><a7>-4.060070710e-12</a7><b1>-3.027690575e+03</b1><b2>1.846767864e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.905855086e+05</a1><a2>-9.348342480e+02</a2><a3>1.369333613e+01</a3><a4>-2.766647250e-04</a4><a5>6.110155800e-08</a5><a6>-7.008048570e-12</a6><a7>3.249524620e-16</a7><b1>2.906433760e+03</b1><b2>-3.946870479e+01</b2></T_range></specie><specie inp_file_name="B3H7,C2v"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>C2v symmetry. Stanton,1989b.</comment><reference>g 8/00</reference><elements><element B="3" /><element H="7" /></elements><condensed>False</condensed><molecular_weight>0.03948858</molecular_weight><hf298.15>176019.139</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.086009469e+05</a1><a2>-7.921536800e+02</a2><a3>-9.577368040e-01</a3><a4>5.656119290e-02</a4><a5>-6.405034500e-05</a5><a6>4.281322960e-08</a6><a7>-1.227580455e-11</a7><b1>2.430638819e+04</b1><b2>2.102582666e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>3.598592140e+06</a1><a2>-1.863701968e+04</a2><a3>3.993998830e+01</a3><a4>-4.275410160e-03</a4><a5>8.705358820e-07</a5><a6>-9.385105020e-11</a6><a7>4.147865310e-15</a7><b1>1.272154092e+05</b1><b2>-2.379769856e+02</b2></T_range></specie><specie inp_file_name="B3H7,Cs"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Cs symmetry. Stanton,1989b.</comment><reference>g 8/00</reference><elements><element B="3" /><element H="7" /></elements><condensed>False</condensed><molecular_weight>0.03948858</molecular_weight><hf298.15>159318.322</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>5.298169330e+04</a1><a2>4.071745370e+02</a2><a3>-9.635730530e+00</a3><a4>7.944312000e-02</a4><a5>-9.306456820e-05</a5><a6>6.105147350e-08</a6><a7>-1.685927691e-11</a7><b1>1.707069083e+04</b1><b2>6.873966560e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>3.281576450e+06</a1><a2>-1.811096595e+04</a2><a3>3.963832460e+01</a3><a4>-4.178424110e-03</a4><a5>8.526829060e-07</a5><a6>-9.209600240e-11</a6><a7>4.076496770e-15</a7><b1>1.213622564e+05</b1><b2>-2.357090217e+02</b2></T_range></specie><specie inp_file_name="B3H9"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Hf:McKee,1990. Stanton,1989a.</comment><reference>g 7/00</reference><elements><element B="3" /><element H="9" /></elements><condensed>False</condensed><molecular_weight>0.04150446</molecular_weight><hf298.15>138908.800</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>8.483214900e+04</a1><a2>-5.206163040e+02</a2><a3>-4.665701210e-01</a3><a4>5.346983860e-02</a4><a5>-4.155796820e-05</a5><a6>1.944135439e-08</a6><a7>-4.541227350e-12</a7><b1>1.805101100e+04</b1><b2>2.110804198e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>3.863999500e+06</a1><a2>-2.229433407e+04</a2><a3>4.875046150e+01</a3><a4>-5.418449260e-03</a4><a5>1.125767651e-06</a5><a6>-1.233226406e-10</a6><a7>5.520348180e-15</a7><b1>1.422187123e+05</b1><b2>-2.958240102e+02</b2></T_range></specie><specie inp_file_name="B3N3H6"><identification><InChIKey>BGECDVWSWDRFSP-UHFFFAOYSA-N</InChIKey><canonical_smiles>B1NBNBN1</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>1,3,5,2,4,6-triazatriborinane</IUPAC_name></identification><comment>Borazole. Gurvich,1996a pt1 p107 pt2 p85.</comment><reference>tpis96</reference><elements><element B="3" /><element N="3" /><element H="6" /></elements><condensed>False</condensed><molecular_weight>0.08050073999999999</molecular_weight><hf298.15>-512000.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.552621082e+05</a1><a2>4.010211270e+03</a2><a3>-3.382491300e+01</a3><a4>1.624575582e-01</a4><a5>-2.065528647e-04</a5><a6>1.368862991e-07</a6><a7>-3.673470900e-11</a7><b1>-8.051253400e+04</b1><b2>1.995000751e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>3.739245170e+06</a1><a2>-1.941238951e+04</a2><a3>4.445070030e+01</a3><a4>-3.210308050e-03</a4><a5>5.717465420e-07</a5><a6>-5.486692140e-11</a6><a7>2.191943197e-15</a7><b1>4.758426160e+04</b1><b2>-2.641156625e+02</b2></T_range></specie><specie inp_file_name="B3O3Cl3"><identification><InChIKey>VBYYWJQDWARHPF-UHFFFAOYSA-N</InChIKey><canonical_smiles>B1(OB(OB(O1)Cl)Cl)Cl</canonical_smiles><cas_number>13703-91-8</cas_number><IUPAC_name>2,4,6-trichloro-1,3,5,2,4,6-trioxatriborinane</IUPAC_name></identification><comment>Gurvich,1996a pt1 p80 pt2 p57.</comment><reference>tpis96</reference><elements><element B="3" /><element O="3" /><element Cl="3" /></elements><condensed>False</condensed><molecular_weight>0.1867902</molecular_weight><hf298.15>-1635982.041</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-4.284452800e+04</a1><a2>1.005623966e+03</a2><a3>-4.556519630e+00</a3><a4>8.117967140e-02</a4><a5>-1.038385803e-04</a5><a6>6.621422330e-08</a6><a7>-1.695748504e-11</a7><b1>-2.040907277e+05</b1><b2>5.466113803e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-7.414059810e+05</a1><a2>-2.527447455e+03</a2><a3>2.687263667e+01</a3><a4>-7.463389360e-04</a4><a5>1.646334110e-07</a5><a6>-1.886231553e-11</a6><a7>8.737926310e-16</a7><b1>-1.923509858e+05</b1><b2>-1.185636255e+02</b2></T_range></specie><specie inp_file_name="B3O3FCl2"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1996a pt1 p89 pt2 p68.</comment><reference>tpis96</reference><elements><element B="3" /><element O="3" /><element F="1" /><element Cl="2" /></elements><condensed>False</condensed><molecular_weight>0.17033560320000002</molecular_weight><hf298.15>-1883807.681</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-3.719120070e+04</a1><a2>8.673745890e+02</a2><a3>-4.095778460e+00</a3><a4>7.815563970e-02</a4><a5>-9.767035170e-05</a5><a6>6.097610090e-08</a6><a7>-1.532880319e-11</a7><b1>-2.331383552e+05</b1><b2>5.198088158e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-7.162360830e+05</a1><a2>-2.851210308e+03</a2><a3>2.710953133e+01</a3><a4>-8.400919640e-04</a4><a5>1.852318684e-07</a5><a6>-2.121694694e-11</a6><a7>9.827291560e-16</a7><b1>-2.202729252e+05</b1><b2>-1.210679365e+02</b2></T_range></specie><specie inp_file_name="B3O3F2Cl"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1996a pt1 p89 pt2 p67.</comment><reference>tpis96</reference><elements><element B="3" /><element O="3" /><element F="2" /><element Cl="1" /></elements><condensed>False</condensed><molecular_weight>0.1538810064</molecular_weight><hf298.15>-2132816.827</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-5.277015540e+04</a1><a2>1.104904696e+03</a2><a3>-5.854181050e+00</a3><a4>7.953943100e-02</a4><a5>-9.592660770e-05</a5><a6>5.799856310e-08</a6><a7>-1.416698348e-11</a7><b1>-2.640400115e+05</b1><b2>6.071247222e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-6.810787490e+05</a1><a2>-3.370009020e+03</a2><a3>2.748953579e+01</a3><a4>-9.905442560e-04</a4><a5>2.182908440e-07</a5><a6>-2.499573480e-11</a6><a7>1.157532106e-15</a7><b1>-2.472114785e+05</b1><b2>-1.261501548e+02</b2></T_range></specie><specie inp_file_name="B3O3F3"><identification><InChIKey>FVWCXYPJHTZDEU-UHFFFAOYSA-N</InChIKey><canonical_smiles>B1(OB(OB(O1)F)F)F</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>2,4,6-trifluoro-1,3,5,2,4,6-trioxatriborinane</IUPAC_name></identification><comment>Gurvich,1996a pt1 p67 pt2 p44.</comment><reference>tpis96</reference><elements><element B="3" /><element O="3" /><element F="3" /></elements><condensed>False</condensed><molecular_weight>0.1374264096</molecular_weight><hf298.15>-2382699.078</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-7.251549780e+04</a1><a2>1.400996228e+03</a2><a3>-7.906716200e+00</a3><a4>8.217161850e-02</a4><a5>-9.633152660e-05</a5><a6>5.668194260e-08</a6><a7>-1.349024305e-11</a7><b1>-2.953461728e+05</b1><b2>7.001536830e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-6.629822910e+05</a1><a2>-3.784946870e+03</a2><a3>2.779526578e+01</a3><a4>-1.112096232e-03</a4><a5>2.450806704e-07</a5><a6>-2.806484980e-11</a6><a7>1.299750466e-15</a7><b1>-2.748865475e+05</b1><b2>-1.315605015e+02</b2></T_range></specie><specie inp_file_name="B4H4"><identification><InChIKey>HQGQIHKCIFSJKV-UHFFFAOYSA-N</InChIKey><canonical_smiles>B1BBB1</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>tetraboretane</IUPAC_name></identification><comment>Yu,1998. Mach,1994.</comment><reference>g 8/00</reference><elements><element B="4" /><element H="4" /></elements><condensed>False</condensed><molecular_weight>0.04727576</molecular_weight><hf298.15>326190.400</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>2.171791579e+05</a1><a2>-2.598282557e+03</a2><a3>9.845440610e+00</a3><a4>3.026309140e-02</a4><a5>-4.128334160e-05</a5><a6>3.089368344e-08</a6><a7>-9.353384260e-12</a7><b1>5.079143480e+04</b1><b2>-3.770757210e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.937200886e+06</a1><a2>-1.078185932e+04</a2><a3>2.879625241e+01</a3><a4>-2.401547707e-03</a4><a5>4.837756780e-07</a5><a6>-5.170490230e-11</a6><a7>2.269138182e-15</a7><b1>9.836595390e+04</b1><b2>-1.561814117e+02</b2></T_range></specie><specie inp_file_name="B4H10"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Wagman,1982 p123. McKee,1990. Dain,1981.</comment><reference>g 5/00</reference><elements><element B="4" /><element H="10" /></elements><condensed>False</condensed><molecular_weight>0.0533234</molecular_weight><hf298.15>66100.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-3.296604820e+04</a1><a2>2.440532922e+03</a2><a3>-2.685332563e+01</a3><a4>1.406499347e-01</a4><a5>-1.586710574e-04</a5><a6>9.874594130e-08</a6><a7>-2.601426018e-11</a7><b1>-3.091924018e+03</b1><b2>1.589905532e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>4.030474130e+06</a1><a2>-2.560629762e+04</a2><a3>5.687233660e+01</a3><a4>-6.178567860e-03</a4><a5>1.280621032e-06</a5><a6>-1.400254585e-10</a6><a7>6.258866560e-15</a7><b1>1.506009087e+05</b1><b2>-3.520714200e+02</b2></T_range></specie><specie inp_file_name="B4H12"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Shen,1993. Yu,1998.</comment><reference>g 5/00</reference><elements><element B="4" /><element H="12" /></elements><condensed>False</condensed><molecular_weight>0.055339280000000005</molecular_weight><hf298.15>188236.114</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>7.152170300e+04</a1><a2>-1.590351575e+02</a2><a3>-4.719771660e+00</a3><a4>8.811228900e-02</a4><a5>-8.604946880e-05</a5><a6>5.123535510e-08</a6><a7>-1.379865250e-11</a7><b1>2.194186547e+04</b1><b2>4.187897400e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>6.158360800e+06</a1><a2>-3.202086730e+04</a2><a3>6.660443600e+01</a3><a4>-7.406369280e-03</a4><a5>1.512993908e-06</a5><a6>-1.635619071e-10</a6><a7>7.245385140e-15</a7><b1>2.054586275e+05</b1><b2>-4.142106860e+02</b2></T_range></specie><specie inp_file_name="B5H9"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Hf:Chase,1998 p303 3/65.McKee,1990.Beaudet,1988.Yu,1998.</comment><reference>g 6/00</reference><elements><element B="5" /><element H="9" /></elements><condensed>False</condensed><molecular_weight>0.06312646</molecular_weight><hf298.15>73220.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>8.998473720e+04</a1><a2>1.042533357e+02</a2><a3>-1.195549834e+01</a3><a4>1.007310686e-01</a4><a5>-9.866680210e-05</a5><a6>5.295535180e-08</a6><a7>-1.232119583e-11</a7><b1>8.374341780e+03</b1><b2>7.663090480e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>3.169017620e+06</a1><a2>-2.282503203e+04</a2><a3>5.512008980e+01</a3><a4>-5.563411420e-03</a4><a5>1.157837073e-06</a5><a6>-1.270332301e-10</a6><a7>5.694262030e-15</a7><b1>1.334452571e+05</b1><b2>-3.371060460e+02</b2></T_range></specie><specie inp_file_name="Ba"><identification><InChIKey>DSAJWYNOEDNPEQ-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Ba]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>barium</IUPAC_name></identification><comment>Gurvich,1996a. Moore,1971. Moore,1970a. Gordon,1999.</comment><reference>g10/97</reference><elements><element Ba="1" /></elements><condensed>False</condensed><molecular_weight>0.137327</molecular_weight><hf298.15>185000.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>2.222563526e+03</a1><a2>-3.407977850e+01</a2><a3>2.706751118e+00</a3><a4>-6.382894490e-04</a4><a5>1.063003846e-06</a5><a6>-9.102624270e-10</a6><a7>3.148062219e-13</a7><b1>2.166549702e+04</b1><b2>5.102545880e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.926579228e+07</a1><a2>6.006501040e+04</a2><a3>-6.633964130e+01</a3><a4>3.507565930e-02</a4><a5>-7.807601830e-06</a5><a6>8.085126800e-10</a6><a7>-3.199486918e-14</a7><b1>-3.589663720e+05</b1><b2>5.007583400e+02</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>3.483452070e+08</a1><a2>-2.925558261e+05</a2><a3>9.774888490e+01</a3><a4>-1.345477126e-02</a4><a5>9.567239790e-07</a5><a6>-3.380662310e-11</a6><a7>4.727390540e-16</a7><b1>2.250335260e+06</b1><b2>-7.968444410e+02</b2></T_range></specie><specie inp_file_name="Ba+"><identification><InChIKey>DSAJWYNOEDNPEQ-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Ba]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>barium</IUPAC_name></identification><comment>Moore,1971. 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p436.</comment><reference>tpis96</reference><elements><element Ba="1" /><element Cl="2" /></elements><condensed>False</condensed><molecular_weight>0.208233</molecular_weight><hf298.15>-499301.387</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.157501999e+03</a1><a2>-2.054518828e+02</a2><a3>7.837514050e+00</a3><a4>-1.867700704e-03</a4><a5>2.335378734e-06</a5><a6>-1.531373341e-09</a6><a7>4.088525090e-13</a7><b1>-6.115665280e+04</b1><b2>-5.978149218e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.216598768e+04</a1><a2>-4.002483810e+00</a2><a3>7.003426740e+00</a3><a4>-1.515820808e-06</a4><a5>3.611849210e-10</a5><a6>-4.386759060e-14</a6><a7>2.125803293e-18</a7><b1>-6.219095270e+04</b1><b2>-1.132439694e+00</b2></T_range></specie><specie inp_file_name="BaF"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1996a pt1 p562 pt2 p429.</comment><reference>tpis96</reference><elements><element Ba="1" /><element F="1" /></elements><condensed>False</condensed><molecular_weight>0.15632540320000002</molecular_weight><hf298.15>-318993.788</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>2.530317292e+04</a1><a2>-4.716995100e+02</a2><a3>6.185036220e+00</a3><a4>-3.366678800e-03</a4><a5>4.011834560e-06</a5><a6>-2.506578601e-09</a6><a7>6.477258160e-13</a7><b1>-3.731872140e+04</b1><b2>-6.220715380e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.868380434e+06</a1><a2>-7.071099600e+03</a2><a3>1.466959284e+01</a3><a4>-6.995950200e-03</a4><a5>2.366313845e-06</a5><a6>-3.287734300e-10</a6><a7>1.647896238e-14</a7><b1>3.571780680e+03</b1><b2>-6.662390920e+01</b2></T_range></specie><specie 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Tlow="1000.0"><a1>-4.054423670e+04</a1><a2>-1.701997704e+01</a2><a3>4.513055340e+00</a3><a4>2.632753508e-05</a4><a5>2.612088236e-09</a5><a6>-9.502197930e-14</a6><a7>6.515176160e-18</a7><b1>1.474486570e+04</b1><b2>2.783167711e+00</b2></T_range></specie><specie inp_file_name="BaF2"><identification><InChIKey>OYLGJCQECKOTOL-UHFFFAOYSA-L</InChIKey><canonical_smiles>[F-].[F-].[Ba+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>barium(2+);difluoride</IUPAC_name></identification><comment>Gurvich,1996a pt1 p569 pt2 p432.</comment><reference>tpis96</reference><elements><element Ba="1" /><element F="2" /></elements><condensed>False</condensed><molecular_weight>0.1753238064</molecular_weight><hf298.15>-812003.483</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>3.488395520e+04</a1><a2>-7.648459560e+02</a2><a3>9.797750380e+00</a3><a4>-5.756457510e-03</a4><a5>6.775603800e-06</a5><a6>-4.243614750e-09</a6><a7>1.093687692e-12</a7><b1>-9.590356450e+04</b1><b2>-2.082035292e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-5.508633660e+04</a1><a2>-1.691114228e+01</a2><a3>7.013564880e+00</a3><a4>-5.731909770e-06</a4><a5>1.321203959e-09</a5><a6>-1.565528167e-13</a6><a7>7.444983020e-18</a7><b1>-9.983529700e+04</b1><b2>-4.389581490e+00</b2></T_range></specie><specie inp_file_name="BaH"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1996a pt1 p554 pt2 p423.</comment><reference>tpis96</reference><elements><element Ba="1" /><element H="1" /></elements><condensed>False</condensed><molecular_weight>0.13833494</molecular_weight><hf298.15>209535.105</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-3.765268880e+04</a1><a2>6.986680120e+02</a2><a3>-1.313524351e+00</a3><a4>1.460648882e-02</a4><a5>-1.802974829e-05</a5><a6>1.133031115e-08</a6><a7>-2.865589059e-12</a7><b1>2.097478889e+04</b1><b2>3.230802600e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-6.755466570e+06</a1><a2>1.730700212e+04</a2><a3>-1.136812458e+01</a3><a4>5.617744740e-03</a4><a5>-3.180788850e-07</a5><a6>-1.052342502e-10</a6><a7>1.111101879e-14</a7><b1>-8.954070380e+04</b1><b2>1.182377538e+02</b2></T_range></specie><specie inp_file_name="BaI"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1996a pt1 p581 pt2 p440.</comment><reference>tpis96</reference><elements><element Ba="1" /><element I="1" /></elements><condensed>False</condensed><molecular_weight>0.26423147</molecular_weight><hf298.15>-10237.675</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-4.186285540e+03</a1><a2>1.033094613e+01</a2><a3>4.428900230e+00</a3><a4>3.026019976e-04</a4><a5>-2.591429408e-07</a5><a6>1.741605400e-10</a6><a7>-3.370062760e-14</a7><b1>-2.636169733e+03</b1><b2>8.201924680e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-3.533859660e+06</a1><a2>7.394258000e+03</a2><a3>1.285151488e+00</a3><a4>-2.303429302e-03</a4><a5>2.214839289e-06</a5><a6>-4.681096810e-10</a6><a7>3.011371472e-14</a7><b1>-5.340229590e+04</b1><b2>3.710443870e+01</b2></T_range></specie><specie inp_file_name="BaI2"><identification><InChIKey>SGUXGJPBTNFBAD-UHFFFAOYSA-L</InChIKey><canonical_smiles>[I-].[I-].[Ba+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>barium(2+);diiodide</IUPAC_name></identification><comment>Gurvich,1996a pt1 p584 pt2 p442.</comment><reference>tpis96</reference><elements><element Ba="1" /><element I="2" 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Tlow="1000.0"><a1>-3.317679230e+05</a1><a2>1.594253495e+03</a2><a3>3.227247810e+00</a3><a4>5.722641500e-04</a4><a5>-1.147415658e-07</a5><a6>1.382873231e-11</a6><a7>-6.384437030e-16</a7><b1>5.025247610e+04</b1><b2>1.409092365e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>-3.283193020e+06</a1><a2>2.046049762e+03</a2><a3>4.048225140e+00</a3><a4>9.872145390e-05</a4><a5>7.763808620e-11</a5><a6>2.536329860e-13</a6><a7>-1.334411326e-18</a7><b1>4.456858530e+04</b1><b2>8.528620900e+00</b2></T_range></specie><specie inp_file_name="BaOH"><identification><InChIKey>XZGCPOSUWCQZEU-UHFFFAOYSA-M</InChIKey><canonical_smiles>[OH-].[Ba+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>barium(2+);hydroxide</IUPAC_name></identification><comment>Gurvich,1996a pt1 p557 pt2 p425.</comment><reference>tpis96</reference><elements><element Ba="1" /><element O="1" /><element H="1" /></elements><condensed>False</condensed><molecular_weight>0.15433434</molecular_weight><hf298.15>-224256.513</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>3.776231510e+04</a1><a2>-8.891390220e+02</a2><a3>9.531718000e+00</a3><a4>-5.458825900e-03</a4><a5>4.941783010e-06</a5><a6>-1.809327537e-09</a6><a7>2.050048305e-13</a7><b1>-2.441852965e+04</b1><b2>-2.489410158e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>2.637336694e+06</a1><a2>-8.365410400e+03</a2><a3>1.599803975e+01</a3><a4>-5.098446050e-03</a4><a5>1.594657431e-06</a5><a6>-2.180478542e-10</a6><a7>1.084610688e-14</a7><b1>2.393550647e+04</b1><b2>-7.490705790e+01</b2></T_range></specie><specie inp_file_name="BaOH+"><identification><InChIKey>XZGCPOSUWCQZEU-UHFFFAOYSA-M</InChIKey><canonical_smiles>[OH-].[Ba+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>barium(2+);hydroxide</IUPAC_name></identification><comment>Gurvich,1996a pt1 p558 pt2 p426.</comment><reference>tpis96</reference><elements><element Ba="1" /><element O="1" /><element H="1" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.1543337914</molecular_weight><hf298.15>202019.313</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>2.797632165e+04</a1><a2>-7.680769400e+02</a2><a3>9.052978440e+00</a3><a4>-4.368577900e-03</a4><a5>3.523497260e-06</a5><a6>-8.386360870e-10</a6><a7>-6.475457470e-14</a7><b1>2.623280802e+04</b1><b2>-2.264561641e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>8.766738430e+05</a1><a2>-2.335819600e+03</a2><a3>7.973166060e+00</a3><a4>1.038679898e-04</a4><a5>-6.319485780e-08</a5><a6>1.028729445e-11</a6><a7>-5.741808570e-16</a7><b1>3.772517470e+04</b1><b2>-1.930805001e+01</b2></T_range></specie><specie inp_file_name="Ba(OH)2"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1996a pt1 p561 pt2 p428.</comment><reference>tpis96</reference><elements><element Ba="1" /><element O="2" /><element H="2" /></elements><condensed>False</condensed><molecular_weight>0.17134168</molecular_weight><hf298.15>-606666.472</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>5.702814900e+04</a1><a2>-1.577384797e+03</a2><a3>1.659935325e+01</a3><a4>-1.039598275e-02</a4><a5>9.664889600e-06</a5><a6>-3.673621440e-09</a6><a7>4.625784990e-13</a7><b1>-6.835158900e+04</b1><b2>-5.851911700e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.762908112e+06</a1><a2>-4.676205420e+03</a2><a3>1.395135494e+01</a3><a4>2.051842928e-04</a4><a5>-1.257265530e-07</a5><a6>2.048917625e-11</a6><a7>-1.144045777e-15</a7><b1>-4.545964410e+04</b1><b2>-4.929457190e+01</b2></T_range></specie><specie 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Tlow="1000.0"><a1>6.104262070e+06</a1><a2>-2.227617479e+04</a2><a3>3.597513510e+01</a3><a4>-2.157793740e-02</a4><a5>7.319872350e-06</a5><a6>-1.089038636e-09</a6><a7>5.884101950e-14</a7><b1>1.404138006e+05</b1><b2>-2.141776331e+02</b2></T_range></specie><specie inp_file_name="Ba2"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1996a pt1 p545 pt2 p417.</comment><reference>tpis96</reference><elements><element Ba="2" /></elements><condensed>False</condensed><molecular_weight>0.274654</molecular_weight><hf298.15>355964.337</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.294177083e+04</a1><a2>-7.276330080e+02</a2><a3>1.464866569e+01</a3><a4>-3.966331650e-02</a4><a5>5.898711060e-05</a5><a6>-4.235300560e-08</a6><a7>1.189594362e-11</a7><b1>4.386712230e+04</b1><b2>-4.145673670e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>2.160114547e+05</a1><a2>1.950676877e+02</a2><a3>2.253699771e+00</a3><a4>1.507750613e-04</a4><a5>-4.742515000e-08</a5><a6>7.048951960e-12</a6><a7>-3.547440170e-16</a7><b1>4.167762970e+04</b1><b2>2.375906459e+01</b2></T_range></specie><specie inp_file_name="Be"><identification><InChIKey>ATBAMAFKBVZNFJ-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Be]</canonical_smiles><cas_number>7440-41-7</cas_number><IUPAC_name>beryllium</IUPAC_name></identification><comment>Hf:Cox,1989. Kramida,1997. Gordon,1999.</comment><reference>g11/97</reference><elements><element Be="1" /></elements><condensed>False</condensed><molecular_weight>0.009012181999999999</molecular_weight><hf298.15>324000.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-4.112901520e-04</a1><a2>5.364967360e-06</a2><a3>2.499999972e+00</a3><a4>7.569203690e-11</a4><a5>-1.097852652e-13</a5><a6>8.002110240e-17</a6><a7>-2.303022777e-20</a7><b1>3.822264590e+04</b1><b2>2.146172983e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-6.926285840e+05</a1><a2>2.466773005e+03</a2><a3>-9.776613340e-01</a3><a4>2.458939515e-03</a4><a5>-9.047950420e-07</a5><a6>1.587880407e-10</a6><a7>-9.415600603e-15</a7><b1>2.300212917e+04</b1><b2>2.623234754e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>4.145833520e+08</a1><a2>-2.254147519e+05</a2><a3>4.411437910e+01</a3><a4>-3.022853591e-03</a4><a5>1.178346131e-07</a5><a6>-2.273387650e-12</a6><a7>1.196838345e-17</a7><b1>1.866686325e+06</b1><b2>-3.752337400e+02</b2></T_range></specie><specie inp_file_name="Be+"><identification><InChIKey>ATBAMAFKBVZNFJ-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Be]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>beryllium</IUPAC_name></identification><comment>Moore,1971. Moore,1970a. Gordon,1999.</comment><reference>g 1/98</reference><elements><element Be="1" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.0090116334</molecular_weight><hf298.15>1229701.328</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.500000000e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>1.471528569e+05</b1><b2>2.839228698e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-9.478135980e+04</a1><a2>2.768325398e+02</a2><a3>2.191388413e+00</a3><a4>1.648824289e-04</a4><a5>-4.280166820e-08</a5><a6>4.542350470e-12</a6><a7>-6.270417825e-17</a7><b1>1.453850986e+05</b1><b2>5.055503840e+00</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>-2.321269508e+08</a1><a2>1.525464518e+05</a2><a3>-3.651092580e+01</a3><a4>4.812692090e-03</a4><a5>-2.928878120e-07</a5><a6>8.899649840e-12</a6><a7>-1.055676610e-16</a7><b1>-1.052744318e+06</b1><b2>3.402173130e+02</b2></T_range></specie><specie inp_file_name="Be++"><identification><InChIKey>PWOSZCQLSAMRQW-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Be+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>beryllium(2+)</IUPAC_name></identification><comment>Moore,1970a. Gordon,1999.</comment><reference>g 3/97</reference><elements><element Be="1" /><element E="-2" /></elements><condensed>False</condensed><molecular_weight>0.009011084800000001</molecular_weight><hf298.15>2993001.528</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.500000000e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>3.592279160e+05</b1><b2>2.145990203e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.500000000e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>3.592279160e+05</b1><b2>2.145990203e+00</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.500000000e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>3.592279160e+05</b1><b2>2.145990203e+00</b2></T_range></specie><specie inp_file_name="BeBr"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1996a pt1 p374 pt2 p300.</comment><reference>tpis96</reference><elements><element Be="1" /><element Br="1" /></elements><condensed>False</condensed><molecular_weight>0.08891618200000001</molecular_weight><hf298.15>132446.308</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>3.746288060e+04</a1><a2>-4.722339070e+02</a2><a3>5.039409040e+00</a3><a4>5.798853220e-04</a4><a5>-1.937634343e-06</a5><a6>1.793372625e-09</a6><a7>-5.672295580e-13</a7><b1>1.723135679e+04</b1><b2>-2.573912886e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>8.217238140e+05</a1><a2>-2.850509348e+03</a2><a3>8.017266020e+00</a3><a4>-2.105663212e-03</a4><a5>6.849136340e-07</a5><a6>-9.989129320e-11</a6><a7>5.192456840e-15</a7><b1>3.229372870e+04</b1><b2>-2.326810811e+01</b2></T_range></specie><specie inp_file_name="BeBr2"><identification><InChIKey>PBKYCFJFZMEFRS-UHFFFAOYSA-L</InChIKey><canonical_smiles>[Be+2].[Br-].[Br-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>beryllium;dibromide</IUPAC_name></identification><comment>Gurvich,1996a pt1 p377 pt2 p302.</comment><reference>tpis96</reference><elements><element Be="1" /><element Br="2" /></elements><condensed>False</condensed><molecular_weight>0.16882018199999999</molecular_weight><hf298.15>-234062.499</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-2.118698678e+04</a1><a2>2.090382611e+02</a2><a3>3.731171310e+00</a3><a4>1.115501549e-02</a4><a5>-1.542821761e-05</a5><a6>1.052354444e-08</a6><a7>-2.850006057e-12</a7><b1>-3.090456277e+04</b1><b2>9.458917720e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.041331811e+05</a1><a2>-1.543443092e+02</a2><a3>7.614465410e+00</a3><a4>-4.556700630e-05</a4><a5>1.003180548e-08</a5><a6>-1.146879501e-12</a6><a7>5.301795380e-17</a7><b1>-2.984527608e+04</b1><b2>-1.149360980e+01</b2></T_range></specie><specie inp_file_name="BeCl"><identification><InChIKey>OZJKWEFHBIQYGU-UHFFFAOYSA-M</InChIKey><canonical_smiles>[Be+2].[Cl-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>beryllium;chloride</IUPAC_name></identification><comment>Gurvich,1996a pt1 p369, pt2 p295.</comment><reference>tpis96</reference><elements><element Be="1" /><element Cl="1" /></elements><condensed>False</condensed><molecular_weight>0.044465182</molecular_weight><hf298.15>56693.107</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>2.016138947e+04</a1><a2>-1.413988978e+02</a2><a3>2.898223773e+00</a3><a4>6.069925510e-03</a4><a5>-9.162038470e-06</a5><a6>6.612620660e-09</a6><a7>-1.859126853e-12</a7><b1>6.626691440e+03</b1><b2>7.900181050e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>2.808845146e+05</a1><a2>-1.103100122e+03</a2><a3>5.671189830e+00</a3><a4>-5.443000450e-04</a4><a5>1.459036606e-07</a5><a6>-1.230971735e-11</a6><a7>9.900804760e-17</a7><b1>1.224649804e+04</b1><b2>-8.382371370e+00</b2></T_range></specie><specie inp_file_name="BeCl2"><identification><InChIKey>LWBPNIJBHRISSS-UHFFFAOYSA-L</InChIKey><canonical_smiles>[Be+2].[Cl-].[Cl-]</canonical_smiles><cas_number>7787-47-5</cas_number><IUPAC_name>beryllium;dichloride</IUPAC_name></identification><comment>Gurvich,1996a pt1 p373 pt2 p298.</comment><reference>tpis96</reference><elements><element Be="1" /><element Cl="2" /></elements><condensed>False</condensed><molecular_weight>0.079918182</molecular_weight><hf298.15>-361539.140</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-2.229957657e+04</a1><a2>1.528781667e+02</a2><a3>3.714994710e+00</a3><a4>1.067776550e-02</a4><a5>-1.397766942e-05</a5><a6>9.066693560e-09</a6><a7>-2.350292311e-12</a7><b1>-4.590428230e+04</b1><b2>6.682555572e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.154087460e+05</a1><a2>-2.484300053e+02</a2><a3>7.685672140e+00</a3><a4>-7.444960370e-05</a4><a5>1.649479787e-08</a5><a6>-1.895997075e-12</a6><a7>8.804973950e-17</a7><b1>-4.468747280e+04</b1><b2>-1.500337407e+01</b2></T_range></specie><specie inp_file_name="BeF"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1996a pt1 p363, pt2 p291.</comment><reference>tpis96</reference><elements><element Be="1" /><element F="1" /></elements><condensed>False</condensed><molecular_weight>0.0280105852</molecular_weight><hf298.15>-170624.795</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-4.664497230e+04</a1><a2>7.887178850e+02</a2><a3>-1.463363201e+00</a3><a4>1.381790494e-02</a4><a5>-1.591299964e-05</a5><a6>9.352931520e-09</a6><a7>-2.229211181e-12</a7><b1>-2.522627476e+04</b1><b2>3.197634300e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.857941543e+05</a1><a2>4.776082770e+01</a2><a3>4.269986020e+00</a3><a4>2.310668473e-04</a4><a5>-6.657214920e-08</a5><a6>1.152149888e-11</a6><a7>-6.335586440e-16</a7><b1>-2.257950960e+04</b1><b2>-2.184787270e-01</b2></T_range></specie><specie inp_file_name="BeF2"><identification><InChIKey>JZKFIPKXQBZXMW-UHFFFAOYSA-L</InChIKey><canonical_smiles>[Be+2].[F-].[F-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>beryllium;difluoride</IUPAC_name></identification><comment>Gurvich,1996a pt1 p366 pt2 p293.</comment><reference>tpis96</reference><elements><element Be="1" /><element F="2" /></elements><condensed>False</condensed><molecular_weight>0.0470089884</molecular_weight><hf298.15>-796588.236</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>7.490270240e+03</a1><a2>-2.878053102e+02</a2><a3>5.434712820e+00</a3><a4>3.903233460e-03</a4><a5>-2.214865601e-06</a5><a6>-1.965806119e-10</a6><a7>4.042362270e-13</a7><b1>-9.591615640e+04</b1><b2>-5.616616920e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-6.482018070e+04</a1><a2>-7.684556060e+02</a2><a3>8.062860840e+00</a3><a4>-2.227502549e-04</a4><a5>4.891598660e-08</a5><a6>-5.587886720e-12</a6><a7>2.583409761e-16</a7><b1>-9.395495490e+04</b1><b2>-2.125660266e+01</b2></T_range></specie><specie inp_file_name="BeH"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1996a pt1 p356, pt2 p286.</comment><reference>tpis96</reference><elements><element Be="1" /><element H="1" /></elements><condensed>False</condensed><molecular_weight>0.010020122000000001</molecular_weight><hf298.15>342252.104</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.615149125e+03</a1><a2>-5.935286080e+01</a2><a3>4.507269100e+00</a3><a4>-5.264189610e-03</a4><a5>1.145319967e-05</a5><a6>-9.247883590e-09</a6><a7>2.700364753e-12</a7><b1>4.030193040e+04</b1><b2>-3.485117050e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.424081636e+06</a1><a2>6.597398460e+03</a2><a3>-3.626316480e+00</a3><a4>4.579634350e-03</a4><a5>-1.163329056e-06</a5><a6>1.297785691e-10</a6><a7>-5.291885810e-15</a7><b1>-2.489846221e+03</b1><b2>5.216018690e+01</b2></T_range></specie><specie inp_file_name="BeH+"><identification><InChIKey>QSSPOBLTCXFERB-UHFFFAOYSA-N</InChIKey><canonical_smiles>[H-].[Be+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>beryllium;hydride</IUPAC_name></identification><comment>Chase,1998 p391 9/66.</comment><reference>g 1/01</reference><elements><element Be="1" /><element H="1" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.0100195734</molecular_weight><hf298.15>1178218.951</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>-3.220611020e+04</a1><a2>2.520229596e+02</a2><a3>3.207719570e+00</a3><a4>-2.191287290e-03</a4><a5>6.902534490e-06</a5><a6>-5.769522630e-09</a6><a7>1.656414969e-12</a7><b1>1.392530660e+05</b1><b2>3.307044770e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>4.622341590e+05</a1><a2>-1.760169629e+03</a2><a3>5.379905550e+00</a3><a4>2.742462444e-05</a4><a5>-1.167208170e-07</a5><a6>3.557177910e-11</a6><a7>-2.569695765e-15</a7><b1>1.515859734e+05</b1><b2>-1.369222641e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>2.282300776e+08</a1><a2>-1.214880850e+05</a2><a3>2.642762928e+01</a3><a4>-1.410369386e-03</a4><a5>3.776812140e-08</a5><a6>6.975949060e-14</a6><a7>-1.287263021e-17</a7><b1>1.127119075e+06</b1><b2>-2.060147218e+02</b2></T_range></specie><specie inp_file_name="BeH2"><identification><InChIKey>NCSRVYQXJFODNH-UHFFFAOYSA-N</InChIKey><canonical_smiles>[H-].[H-].[Be+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>beryllium;hydride</IUPAC_name></identification><comment>Martin,J.M.L.,1992. Martin,J.M.L.,1997.</comment><reference>g 4/01</reference><elements><element Be="1" /><element H="2" /></elements><condensed>False</condensed><molecular_weight>0.011028062</molecular_weight><hf298.15>161098.903</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>9.065314900e+04</a1><a2>-1.320657220e+03</a2><a3>9.901308060e+00</a3><a4>-1.255772231e-02</a4><a5>2.205704068e-05</a5><a6>-1.633609388e-08</a6><a7>4.505103240e-12</a7><b1>2.464561869e+04</b1><b2>-3.635826750e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>6.074262010e+05</a1><a2>-3.407534250e+03</a2><a3>9.792370360e+00</a3><a4>-8.254614820e-04</a4><a5>1.915656246e-07</a5><a6>-1.962774813e-11</a6><a7>8.929908660e-16</a7><b1>3.793105200e+04</b1><b2>-4.254653580e+01</b2></T_range></specie><specie inp_file_name="BeI"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1996a pt1 p378, pt2 p303.</comment><reference>tpis96</reference><elements><element Be="1" /><element I="1" /></elements><condensed>False</condensed><molecular_weight>0.135916652</molecular_weight><hf298.15>207454.309</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>3.530054810e+04</a1><a2>-5.190950260e+02</a2><a3>5.714505240e+00</a3><a4>-1.409073640e-03</a4><a5>7.664772120e-07</a5><a6>-2.601945105e-11</a6><a7>-8.230960640e-14</a7><b1>2.637903657e+04</b1><b2>-5.140997840e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-5.328206620e+05</a1><a2>1.139497861e+03</a2><a3>3.629171660e+00</a3><a4>1.704033769e-04</a4><a5>1.067048688e-07</a5><a6>-3.589457880e-11</a6><a7>2.722769560e-15</a7><b1>1.585474307e+04</b1><b2>9.370951270e+00</b2></T_range></specie><specie inp_file_name="BeI2"><identification><InChIKey>JUCWKFHIHJQTFR-UHFFFAOYSA-L</InChIKey><canonical_smiles>[Be+2].[I-].[I-]</canonical_smiles><cas_number>7787-53-3</cas_number><IUPAC_name>beryllium;diiodide</IUPAC_name></identification><comment>Gurvich,1996a pt1 p380 pt2 p305.</comment><reference>tpis96</reference><elements><element Be="1" /><element I="2" /></elements><condensed>False</condensed><molecular_weight>0.262821122</molecular_weight><hf298.15>-64759.451</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>3.592726180e+02</a1><a2>-4.866059010e+01</a2><a3>5.241571180e+00</a3><a4>7.830305060e-03</a4><a5>-1.169525374e-05</a5><a6>8.389583910e-09</a6><a7>-2.356636003e-12</a7><b1>-9.333220920e+03</b1><b2>2.896318281e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-9.392372840e+04</a1><a2>-8.959214380e+01</a2><a3>7.565554790e+00</a3><a4>-2.577727326e-05</a4><a5>5.614265330e-09</a5><a6>-6.359663850e-13</a6><a7>2.917080336e-17</a7><b1>-9.814768620e+03</b1><b2>-9.032042810e+00</b2></T_range></specie><specie inp_file_name="BeN"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Chase,1998 p403.</comment><reference>j 6/63</reference><elements><element Be="1" /><element N="1" /></elements><condensed>False</condensed><molecular_weight>0.023018882</molecular_weight><hf298.15>427000.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-4.247783630e+04</a1><a2>7.590188900e+02</a2><a3>-1.561469235e+00</a3><a4>1.496945721e-02</a4><a5>-1.835608880e-05</a5><a6>1.146861461e-08</a6><a7>-2.897470581e-12</a7><b1>4.683003320e+04</b1><b2>3.256973759e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-5.909696160e+04</a1><a2>-3.078649431e+02</a2><a3>4.727959150e+00</a3><a4>-3.928158830e-05</a4><a5>2.006201069e-08</a5><a6>-2.300018068e-12</a6><a7>1.066101831e-16</a7><b1>5.156095710e+04</b1><b2>-3.031380625e+00</b2></T_range></specie><specie inp_file_name="BeO"><identification><InChIKey>LTPBRCUWZOMYOC-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Be]=O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>oxoberyllium</IUPAC_name></identification><comment>Gurvich,1996a pt1 p351, pt2 p280.</comment><reference>tpis96</reference><elements><element Be="1" /><element O="1" /></elements><condensed>False</condensed><molecular_weight>0.025011582</molecular_weight><hf298.15>128940.304</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-4.869458320e+04</a1><a2>7.213473620e+02</a2><a3>-3.784157320e-01</a3><a4>8.792203850e-03</a4><a5>-7.070151260e-06</a5><a6>2.250175620e-09</a6><a7>-2.799117872e-14</a7><b1>1.101466639e+04</b1><b2>2.574081184e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-3.503472450e+07</a1><a2>1.055859473e+05</a2><a3>-1.165011722e+02</a3><a4>6.477369480e-02</a4><a5>-1.649656058e-05</a5><a6>2.005558400e-09</a6><a7>-9.426891790e-14</a7><b1>-6.570018000e+05</b1><b2>8.640898030e+02</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>-7.440106320e+07</a1><a2>4.309665300e+04</a2><a3>-1.019586064e-01</a3><a4>2.617209088e-04</a4><a5>-2.461810861e-08</a5><a6>1.124733698e-12</a6><a7>-1.832802285e-17</a7><b1>-3.402379380e+05</b1><b2>4.487040230e+01</b2></T_range></specie><specie inp_file_name="BeOH"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1996a pt1 p358 pt2 p288.</comment><reference>tpis96</reference><elements><element Be="1" /><element O="1" /><element H="1" /></elements><condensed>False</condensed><molecular_weight>0.026019522</molecular_weight><hf298.15>-99717.721</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-3.853024520e+04</a1><a2>4.498059290e+02</a2><a3>1.532096459e+00</a3><a4>1.299912603e-02</a4><a5>-1.708979996e-05</a5><a6>1.169968182e-08</a6><a7>-3.163183710e-12</a7><b1>-1.559046567e+04</b1><b2>1.545542930e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>8.550330310e+05</a1><a2>-2.646537838e+03</a2><a3>8.204784630e+00</a3><a4>1.110814513e-05</a4><a5>-4.265364000e-08</a5><a6>7.926511920e-12</a6><a7>-4.645419520e-16</a7><b1>3.121216271e+03</b1><b2>-2.571641308e+01</b2></T_range></specie><specie inp_file_name="BeOH+"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Chase,1998 p393.</comment><reference>j12/75</reference><elements><element Be="1" /><element O="1" /><element H="1" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.0260189734</molecular_weight><hf298.15>759983.920</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>7.106119160e+04</a1><a2>-8.068981600e+02</a2><a3>5.603107810e+00</a3><a4>4.932070860e-03</a4><a5>-7.722847160e-06</a5><a6>5.910889810e-09</a6><a7>-1.695201901e-12</a7><b1>9.440782420e+04</b1><b2>-1.088099852e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>8.134874390e+05</a1><a2>-2.814653683e+03</a2><a3>8.381145010e+00</a3><a4>-6.942073280e-05</a4><a5>-2.369535806e-08</a5><a6>5.678106380e-12</a6><a7>-3.583253560e-16</a7><b1>1.073129932e+05</b1><b2>-2.901093335e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>-6.279111750e+06</a1><a2>2.090044240e+03</a2><a3>7.025559910e+00</a3><a4>5.492111300e-05</a4><a5>-3.446137200e-09</a5><a6>1.115947764e-13</a6><a7>-1.461494242e-18</a7><b1>6.914837000e+04</b1><b2>-1.732443156e+01</b2></T_range></specie><specie inp_file_name="Be(OH)2"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1996a pt1 p360 pt2 p290.</comment><reference>tpis96</reference><elements><element Be="1" /><element O="2" /><element H="2" /></elements><condensed>False</condensed><molecular_weight>0.043026862</molecular_weight><hf298.15>-638864.416</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>7.863089830e+03</a1><a2>-7.397142250e+02</a2><a3>1.043303334e+01</a3><a4>4.514249530e-03</a4><a5>-6.950601530e-06</a5><a6>5.777030040e-09</a6><a7>-1.727199382e-12</a7><b1>-7.585676960e+04</b1><b2>-3.301466610e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.722889403e+06</a1><a2>-5.242477190e+03</a2><a3>1.486877785e+01</a3><a4>3.931498360e-05</a4><a5>-8.920276310e-08</a5><a6>1.630912925e-11</a6><a7>-9.505371140e-16</a7><b1>-4.642823840e+04</b1><b2>-6.476804020e+01</b2></T_range></specie><specie inp_file_name="BeS"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1996a pt1 p381 pt2 p307.</comment><reference>tpis96</reference><elements><element Be="1" /><element S="1" /></elements><condensed>False</condensed><molecular_weight>0.041077182000000004</molecular_weight><hf298.15>247095.306</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-7.390579080e+03</a1><a2>2.828134792e+02</a2><a3>6.552019400e-01</a3><a4>1.076012495e-02</a4><a5>-1.398380157e-05</a5><a6>8.818418890e-09</a6><a7>-2.110588578e-12</a7><b1>2.751593294e+04</b1><b2>1.980493561e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.655708361e+07</a1><a2>5.431466120e+04</a2><a3>-6.351859250e+01</a3><a4>3.964091990e-02</a4><a5>-1.078978696e-05</a5><a6>1.394030343e-09</a6><a7>-6.936955040e-14</a7><b1>-3.121559628e+05</b1><b2>4.803454935e+02</b2></T_range></specie><specie inp_file_name="Be2"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1996a pt1 p346 pt2 p277.</comment><reference>tpis96</reference><elements><element Be="2" /></elements><condensed>False</condensed><molecular_weight>0.018024363999999998</molecular_weight><hf298.15>637543.318</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.580873810e+05</a1><a2>2.035567774e+03</a2><a3>-3.691580630e+00</a3><a4>1.028818435e-02</a4><a5>-9.603854510e-06</a5><a6>4.707519420e-09</a6><a7>-9.374688790e-13</a7><b1>6.526968370e+04</b1><b2>4.879324990e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.010034484e+05</a1><a2>1.414207488e+02</a2><a3>2.292070182e+00</a3><a4>1.543331824e-04</a4><a5>-5.801043000e-08</a5><a6>1.003129697e-11</a6><a7>-5.682818340e-16</a7><b1>7.550139730e+04</b1><b2>1.238758616e+01</b2></T_range></specie><specie 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Tlow="1000.0"><a1>-3.354920080e+05</a1><a2>-2.316199283e+02</a2><a3>1.617047912e+01</a3><a4>-6.734405950e-05</a4><a5>1.472073032e-08</a5><a6>-1.672352806e-12</a6><a7>7.688773970e-17</a7><b1>-1.031075197e+05</b1><b2>-5.047009374e+01</b2></T_range></specie><specie inp_file_name="Be2F4"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1996a pt1 p368 pt2 p294.</comment><reference>tpis96</reference><elements><element Be="2" /><element F="4" /></elements><condensed>False</condensed><molecular_weight>0.0940179768</molecular_weight><hf298.15>-1731699.842</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-6.327701870e+03</a1><a2>-6.902533720e+01</a2><a3>5.470937230e+00</a3><a4>3.097341347e-02</a4><a5>-4.094310060e-05</a5><a6>2.668113685e-08</a6><a7>-6.942909560e-12</a7><b1>-2.105979269e+05</b1><b2>-2.073546195e-01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-3.681834950e+05</a1><a2>-9.439191480e+02</a2><a3>1.670099855e+01</a3><a4>-2.797974015e-04</a4><a5>6.178061720e-08</a5><a6>-7.083080190e-12</a6><a7>3.282791040e-16</a7><b1>-2.089045725e+05</b1><b2>-6.092665760e+01</b2></T_range></specie><specie inp_file_name="Be2O"><identification><InChIKey>MQFPMMHEULVVJM-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Be].[Be]=O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>beryllium;oxoberyllium</IUPAC_name></identification><comment>Gurvich,1996a pt1 p353 pt2 p282.</comment><reference>tpis96</reference><elements><element Be="2" /><element O="1" /></elements><condensed>False</condensed><molecular_weight>0.034023764</molecular_weight><hf298.15>-37033.803</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-4.263673570e+02</a1><a2>-1.159556261e+02</a2><a3>4.082677770e+00</a3><a4>1.015885064e-02</a4><a5>-1.326015538e-05</a5><a6>8.488955360e-09</a6><a7>-2.168039077e-12</a7><b1>-5.362258120e+03</b1><b2>1.253737886e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.412646378e+05</a1><a2>-3.498644590e+02</a2><a3>7.760932680e+00</a3><a4>-1.044953518e-04</a4><a5>2.313342334e-08</a5><a6>-2.657722263e-12</a6><a7>1.233820439e-16</a7><b1>-5.172385490e+03</b1><b2>-1.854887619e+01</b2></T_range></specie><specie inp_file_name="Be2OF2"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Chase,1998 p417.</comment><reference>j 6/66</reference><elements><element Be="2" /><element O="1" /><element F="2" /></elements><condensed>False</condensed><molecular_weight>0.0720205704</molecular_weight><hf298.15>-1204574.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-2.783491921e+04</a1><a2>1.782881461e+02</a2><a3>4.094251360e+00</a3><a4>2.270142496e-02</a4><a5>-2.672688189e-05</a5><a6>1.572575618e-08</a6><a7>-3.736070580e-12</a7><b1>-1.480081903e+05</b1><b2>7.353494770e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.281826506e+05</a1><a2>-1.130355396e+03</a2><a3>1.383400563e+01</a3><a4>-3.316080640e-04</a4><a5>7.304921010e-08</a5><a6>-8.362704380e-12</a6><a7>3.872184980e-16</a7><b1>-1.431390587e+05</b1><b2>-4.739150230e+01</b2></T_range></specie><specie inp_file_name="Be2O2"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1996a pt1 p354 pt2 p283.</comment><reference>tpis96</reference><elements><element Be="2" /><element O="2" /></elements><condensed>False</condensed><molecular_weight>0.050023164</molecular_weight><hf298.15>-411635.309</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-3.031719530e+04</a1><a2>1.163353177e+03</a2><a3>-8.733155950e+00</a3><a4>5.372002930e-02</a4><a5>-7.279439190e-05</a5><a6>4.894928250e-08</a6><a7>-1.312147056e-11</a7><b1>-5.546936880e+04</b1><b2>6.953282640e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-3.960576640e+05</a1><a2>-9.074948830e+02</a2><a3>1.067160422e+01</a3><a4>-2.670905218e-04</a4><a5>5.877629990e-08</a5><a6>-6.718664090e-12</a6><a7>3.105949075e-16</a7><b1>-4.861114330e+04</b1><b2>-3.616546890e+01</b2></T_range></specie><specie inp_file_name="Be3O3"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1996a pt1 p355 pt2 p284.</comment><reference>tpis96</reference><elements><element Be="3" /><element O="3" /></elements><condensed>False</condensed><molecular_weight>0.075034746</molecular_weight><hf298.15>-1023720.628</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-2.738072346e+04</a1><a2>8.743832600e+02</a2><a3>-6.599606120e+00</a3><a4>6.533021140e-02</a4><a5>-8.762305740e-05</a5><a6>5.817244790e-08</a6><a7>-1.540600500e-11</a7><b1>-1.284679012e+05</b1><b2>5.837203120e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-5.890809360e+05</a1><a2>-1.392823588e+03</a2><a3>1.703450699e+01</a3><a4>-4.127330740e-04</a4><a5>9.107529150e-08</a5><a6>-1.043465231e-11</a6><a7>4.833053770e-16</a7><b1>-1.219045534e+05</b1><b2>-7.000614510e+01</b2></T_range></specie><specie inp_file_name="Be4O4"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1996a pt1 p356 pt2 p285.</comment><reference>tpis96</reference><elements><element Be="4" /><element O="4" /></elements><condensed>False</condensed><molecular_weight>0.100046328</molecular_weight><hf298.15>-1649294.582</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-6.893255640e+04</a1><a2>1.687565069e+03</a2><a3>-1.479616594e+01</a3><a4>1.007319774e-01</a4><a5>-1.291057622e-04</a5><a6>8.243136760e-08</a6><a7>-2.111283987e-11</a7><b1>-2.072877151e+05</b1><b2>1.002507262e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-8.841338460e+05</a1><a2>-2.726394165e+03</a2><a3>2.402941774e+01</a3><a4>-8.114675460e-04</a4><a5>1.794255972e-07</a5><a6>-2.059359498e-11</a6><a7>9.552905330e-16</a7><b1>-1.923710587e+05</b1><b2>-1.136620750e+02</b2></T_range></specie><specie inp_file_name="Br"><identification><InChIKey>CPELXLSAUQHCOX-UHFFFAOYSA-M</InChIKey><canonical_smiles>[Br-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>bromide</IUPAC_name></identification><comment>Hf:Cox,1989. Moore,1971. Moore,1970a. Gordon,1999.</comment><reference>g 3/97</reference><elements><element Br="1" /></elements><condensed>False</condensed><molecular_weight>0.079904</molecular_weight><hf298.15>111870.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-3.700293910e+03</a1><a2>6.145215420e+01</a2><a3>2.092120721e+00</a3><a4>1.376818870e-03</a4><a5>-2.445566658e-06</a5><a6>2.050975161e-09</a6><a7>-5.144249091e-13</a7><b1>1.242508647e+04</b1><b2>8.996166200e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-4.789717400e+06</a1><a2>1.692051999e+04</a2><a3>-2.024085357e+01</a3><a4>1.395620355e-02</a4><a5>-3.656230560e-06</a5><a6>4.489781000e-10</a6><a7>-2.122507526e-14</a7><b1>-9.207054960e+04</b1><b2>1.661695929e+02</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>-1.240248003e+08</a1><a2>7.034034730e+04</a2><a3>-1.023087313e+01</a3><a4>1.373755814e-03</a4><a5>-7.476473480e-08</a5><a6>2.160883187e-12</a6><a7>-2.659054603e-17</a7><b1>-5.563101070e+05</b1><b2>1.226657143e+02</b2></T_range></specie><specie inp_file_name="Br+"><identification><InChIKey>CPELXLSAUQHCOX-UHFFFAOYSA-M</InChIKey><canonical_smiles>[Br-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>bromide</IUPAC_name></identification><comment>Moore,1971. Moore,1970a. Gordon,1999.</comment><reference>g10/97</reference><elements><element Br="1" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.07990345139999999</molecular_weight><hf298.15>1257927.034</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>3.981187420e+04</a1><a2>-4.751581470e+02</a2><a3>4.734578980e+00</a3><a4>-5.169324790e-03</a4><a5>5.905857520e-06</a5><a6>-2.885129283e-09</a6><a7>5.054894290e-13</a7><b1>1.529052046e+05</b1><b2>-5.769283220e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.741149829e+06</a1><a2>-5.455465670e+03</a2><a3>8.470663350e+00</a3><a4>-2.683465574e-03</a4><a5>6.590454560e-07</a5><a6>-7.953770300e-11</a6><a7>3.735898818e-15</a7><b1>1.851781643e+05</b1><b2>-3.637909030e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>-6.174903280e+07</a1><a2>3.641704160e+04</a2><a3>-5.739744680e+00</a3><a4>1.067497350e-03</a4><a5>-7.127689890e-08</a5><a6>2.155618820e-12</a6><a7>-1.769476126e-17</a7><b1>-1.399767498e+05</b1><b2>7.931577700e+01</b2></T_range></specie><specie inp_file_name="Br-"><identification><InChIKey>CPELXLSAUQHCOX-UHFFFAOYSA-M</InChIKey><canonical_smiles>[Br-]</canonical_smiles><cas_number>24959-67-9</cas_number><IUPAC_name>bromide</IUPAC_name></identification><comment>Hotop,1985. Gordon,1999.</comment><reference>g10/97</reference><elements><element Br="1" /><element E="1" /></elements><condensed>False</condensed><molecular_weight>0.0799045486</molecular_weight><hf298.15>-219000.472</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.500000000e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-2.708492743e+04</b1><b2>5.419556170e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.500000000e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-2.708492743e+04</b1><b2>5.419556170e+00</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.500000000e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-2.708492743e+04</b1><b2>5.419556170e+00</b2></T_range></specie><specie inp_file_name="BrCl"><identification><InChIKey>CODNYICXDISAEA-UHFFFAOYSA-N</InChIKey><canonical_smiles>ClBr</canonical_smiles><cas_number>13863-41-7</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1989 pt1 p213 pt2 p112.</comment><reference>tpis89</reference><elements><element Br="1" /><element Cl="1" /></elements><condensed>False</condensed><molecular_weight>0.115357</molecular_weight><hf298.15>14789.113</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.653291583e+04</a1><a2>-3.578769280e+02</a2><a3>5.700622160e+00</a3><a4>-2.201257188e-03</a4><a5>2.415146969e-06</a5><a6>-1.371032976e-09</a6><a7>3.227803420e-13</a7><b1>2.252619279e+03</b1><b2>-4.155659669e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.284863067e+05</a1><a2>-1.138379626e+03</a2><a3>7.964040800e+00</a3><a4>-3.438056670e-03</a4><a5>1.524999514e-06</a5><a6>-2.761469114e-10</a6><a7>1.694450407e-14</a7><b1>5.938264260e+03</b1><b2>-1.925044389e+01</b2></T_range></specie><specie inp_file_name="BrF"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1989 pt1 p208 pt2 p109.</comment><reference>tpis89</reference><elements><element Br="1" /><element F="1" /></elements><condensed>False</condensed><molecular_weight>0.09890240319999999</molecular_weight><hf298.15>-58851.445</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>3.836143190e+04</a1><a2>-5.184611970e+02</a2><a3>5.458327050e+00</a3><a4>-5.656843100e-04</a4><a5>-4.121311970e-07</a5><a6>7.859913480e-10</a6><a7>-3.036161520e-13</a7><b1>-5.595539910e+03</b1><b2>-4.901129500e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>3.771388470e+06</a1><a2>-1.267493430e+04</a2><a3>2.080555930e+01</a3><a4>-1.026359360e-02</a4><a5>3.308203590e-06</a5><a6>-4.903192250e-10</a6><a7>2.648275080e-14</a7><b1>7.062609720e+04</b1><b2>-1.130253600e+02</b2></T_range></specie><specie inp_file_name="BrF3"><identification><InChIKey>FQFKTKUFHWNTBN-UHFFFAOYSA-N</InChIKey><canonical_smiles>FBr(F)F</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>trifluoro-$l^{3}-bromane</IUPAC_name></identification><comment>Gurvich,1989 pt1 p211 pt2 p110.</comment><reference>tpis89</reference><elements><element Br="1" /><element F="3" /></elements><condensed>False</condensed><molecular_weight>0.13689920960000002</molecular_weight><hf298.15>-255600.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.116455127e+05</a1><a2>-1.959424330e+03</a2><a3>1.526220126e+01</a3><a4>-7.999362300e-03</a4><a5>6.982030260e-06</a5><a6>-3.242757960e-09</a6><a7>6.164751460e-13</a7><b1>-2.345341551e+04</b1><b2>-5.522633600e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.886532240e+05</a1><a2>-8.245232970e+01</a2><a3>1.006180694e+01</a3><a4>-2.477319092e-05</a4><a5>5.478576860e-09</a5><a6>-6.282655260e-13</a6><a7>2.910628214e-17</a7><b1>-3.386800370e+04</b1><b2>-2.298937369e+01</b2></T_range></specie><specie inp_file_name="BrF5"><identification><InChIKey>XHVUVQAANZKEKF-UHFFFAOYSA-N</InChIKey><canonical_smiles>FBr(F)(F)(F)F</canonical_smiles><cas_number>7789-30-2</cas_number><IUPAC_name>pentafluoro-$l^{5}-bromane</IUPAC_name></identification><comment>Gurvich,1989 pt1 p212 pt2 p111.</comment><reference>tpis89</reference><elements><element Br="1" /><element F="5" /></elements><condensed>False</condensed><molecular_weight>0.17489601600000002</molecular_weight><hf298.15>-428800.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>2.211366805e+05</a1><a2>-4.024809220e+03</a2><a3>2.734900212e+01</a3><a4>-1.832254979e-02</a4><a5>1.721754649e-05</a5><a6>-8.753508630e-09</a6><a7>1.860196959e-12</a7><b1>-3.537447670e+04</b1><b2>-1.244296466e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-3.757647640e+05</a1><a2>-1.575896472e+02</a2><a3>1.611869838e+01</a3><a4>-4.776497800e-05</a4><a5>1.059755365e-08</a5><a6>-1.218527723e-12</a6><a7>5.657535450e-17</a7><b1>-5.667266800e+04</b1><b2>-5.540839310e+01</b2></T_range></specie><specie inp_file_name="BrO"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Chase,1996a.</comment><reference>j 3/96</reference><elements><element Br="1" /><element O="1" /></elements><condensed>False</condensed><molecular_weight>0.0959034</molecular_weight><hf298.15>125800.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.455431116e+04</a1><a2>1.225152439e+02</a2><a3>-3.058728672e-01</a3><a4>2.117309202e-02</a4><a5>-3.494261190e-05</a5><a6>2.622639719e-08</a6><a7>-7.508059540e-12</a7><b1>1.389149932e+04</b1><b2>2.527867438e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.392612795e+06</a1><a2>6.932793130e+03</a2><a3>-2.513183892e+00</a3><a4>3.446544560e-03</a4><a5>-7.569536840e-07</a5><a6>6.514291340e-11</a6><a7>-1.715768736e-15</a7><b1>-3.084499064e+04</b1><b2>5.361048360e+01</b2></T_range></specie><specie inp_file_name="OBrO"><identification><InChIKey>SISAYUDTHCIGLM-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=Br[O]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>bromous acid</IUPAC_name></identification><comment>Chase,1996a.</comment><reference>j 3/96</reference><elements><element Br="1" /><element O="2" /></elements><condensed>False</condensed><molecular_weight>0.1119028</molecular_weight><hf298.15>151954.526</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>3.470213230e+04</a1><a2>-3.401341820e+02</a2><a3>3.932251620e+00</a3><a4>1.215938586e-02</a4><a5>-1.901501702e-05</a5><a6>1.398631495e-08</a6><a7>-3.992899760e-12</a7><b1>1.875955788e+04</b1><b2>6.361235180e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.624504660e+05</a1><a2>-1.453689372e+02</a2><a3>7.105822130e+00</a3><a4>-4.141362070e-05</a4><a5>8.981833260e-09</a5><a6>-1.013712869e-12</a6><a7>4.635133140e-17</a7><b1>1.650075386e+04</b1><b2>-9.111817920e+00</b2></T_range></specie><specie inp_file_name="BrOO"><identification><InChIKey>RVPMRNSNYCGGLE-UHFFFAOYSA-N</InChIKey><canonical_smiles>[O]OBr</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>$l^{1}-oxidanyl hypobromite</IUPAC_name></identification><comment>Chase,1996a.</comment><reference>j 3/96</reference><elements><element Br="1" /><element O="2" /></elements><condensed>False</condensed><molecular_weight>0.1119028</molecular_weight><hf298.15>108000.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-4.417619900e+04</a1><a2>4.959637160e+02</a2><a3>3.239884950e+00</a3><a4>5.941502110e-03</a4><a5>-3.402696770e-06</a5><a6>-3.444778160e-11</a6><a7>4.811957950e-13</a7><b1>8.815221980e+03</b1><b2>1.607446878e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>6.172483480e+03</a1><a2>-6.585049660e+02</a2><a3>7.483955330e+00</a3><a4>-1.920530746e-04</a4><a5>4.226946170e-08</a5><a6>-4.837392610e-12</a6><a7>2.239741320e-16</a7><b1>1.460353470e+04</b1><b2>-9.850380240e+00</b2></T_range></specie><specie inp_file_name="BrO3"><identification><InChIKey>SXDBWCPKPHAZSM-UHFFFAOYSA-M</InChIKey><canonical_smiles>[O-]Br(=O)=O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>bromate</IUPAC_name></identification><comment>Chase,1996a.</comment><reference>j 3/96</reference><elements><element Br="1" /><element O="3" /></elements><condensed>False</condensed><molecular_weight>0.1279022</molecular_weight><hf298.15>220820.685</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.063901881e+05</a1><a2>-1.501928813e+03</a2><a3>9.703657430e+00</a3><a4>8.133000760e-03</a4><a5>-1.531857845e-05</a5><a6>1.199117619e-08</a6><a7>-3.512747870e-12</a7><b1>3.233135990e+04</b1><b2>-2.735125430e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.822851113e+05</a1><a2>-2.358973461e+02</a2><a3>1.017525279e+01</a3><a4>-6.978451050e-05</a4><a5>1.535701661e-08</a5><a6>-1.754454950e-12</a6><a7>8.104100150e-17</a7><b1>2.401140140e+04</b1><b2>-2.588197197e+01</b2></T_range></specie><specie inp_file_name="Br2"><identification><InChIKey>GDTBXPJZTBHREO-UHFFFAOYSA-N</InChIKey><canonical_smiles>BrBr</canonical_smiles><cas_number>23724-81-4</cas_number><IUPAC_name>molecular bromine</IUPAC_name></identification><comment>Gurvich,1989 pt1 p200 pt2 p104.</comment><reference>tpis89</reference><elements><element Br="2" /></elements><condensed>False</condensed><molecular_weight>0.159808</molecular_weight><hf298.15>30910.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>7.497047540e+03</a1><a2>-2.350884557e+02</a2><a3>5.491934320e+00</a3><a4>-2.227573303e-03</a4><a5>2.932401703e-06</a5><a6>-1.954889514e-09</a6><a7>5.312307890e-13</a7><b1>3.521475050e+03</b1><b2>-1.964151570e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-4.311698570e+06</a1><a2>1.111268634e+04</a2><a3>-5.555775610e+00</a3><a4>3.630516590e-03</a4><a5>-2.754164226e-07</a5><a6>-6.217506760e-11</a6><a7>7.375341620e-15</a7><b1>-7.036584160e+04</b1><b2>7.878478020e+01</b2></T_range></specie><specie inp_file_name="BrBrO"><identification><InChIKey>HJCMMOODWZOXML-UHFFFAOYSA-N</InChIKey><canonical_smiles>O(Br)Br</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>bromo hypobromite</IUPAC_name></identification><comment>Chase,1996a.</comment><reference>j 3/96</reference><elements><element Br="2" /><element O="1" /></elements><condensed>False</condensed><molecular_weight>0.1758074</molecular_weight><hf298.15>168000.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.617498037e+04</a1><a2>-2.464406776e+02</a2><a3>5.912858450e+00</a3><a4>4.980354280e-03</a4><a5>-8.099958250e-06</a5><a6>6.072776260e-09</a6><a7>-1.753715313e-12</a7><b1>1.974012093e+04</b1><b2>2.009704963e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-8.537101750e+04</a1><a2>-6.487046070e+01</a2><a3>7.047159350e+00</a3><a4>-1.843088186e-05</a4><a5>3.992267860e-09</a5><a6>-4.500687950e-13</a6><a7>2.055867395e-17</a7><b1>1.821566655e+04</b1><b2>-3.162186125e+00</b2></T_range></specie><specie inp_file_name="BrOBr"><identification><InChIKey>HJCMMOODWZOXML-UHFFFAOYSA-N</InChIKey><canonical_smiles>O(Br)Br</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>bromo hypobromite</IUPAC_name></identification><comment>Chase,1996a.</comment><reference>j 3/96</reference><elements><element Br="2" /><element O="1" /></elements><condensed>False</condensed><molecular_weight>0.1758074</molecular_weight><hf298.15>107639.006</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>6.405068910e+04</a1><a2>-1.062722566e+03</a2><a3>9.907866290e+00</a3><a4>-4.470492470e-03</a4><a5>3.913701070e-06</a5><a6>-1.805444867e-09</a6><a7>3.366132550e-13</a7><b1>1.642921537e+04</b1><b2>-2.350319399e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-9.686660250e+04</a1><a2>-3.957395270e+01</a2><a3>7.029434380e+00</a3><a4>-1.171881908e-05</a4><a5>2.576958549e-09</a5><a6>-2.941186078e-13</a6><a7>1.357198784e-17</a7><b1>1.076942321e+04</b1><b2>-5.697779380e+00</b2></T_range></specie><specie inp_file_name="C"><identification><InChIKey>OKTJSMMVPCPJKN-UHFFFAOYSA-N</InChIKey><canonical_smiles>[C]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>carbon</IUPAC_name></identification><comment>Hf:Douglas,1955. Moore,1970b. Gordon,1999.</comment><reference>g 7/97</reference><elements><element C="1" /></elements><condensed>False</condensed><molecular_weight>0.0120107</molecular_weight><hf298.15>716680.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>6.495031470e+02</a1><a2>-9.649010860e-01</a2><a3>2.504675479e+00</a3><a4>-1.281448025e-05</a4><a5>1.980133654e-08</a5><a6>-1.606144025e-11</a6><a7>5.314483411e-15</a7><b1>8.545763110e+04</b1><b2>4.747924288e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.289136472e+05</a1><a2>1.719528572e+02</a2><a3>2.646044387e+00</a3><a4>-3.353068950e-04</a4><a5>1.742092740e-07</a5><a6>-2.902817829e-11</a6><a7>1.642182385e-15</a7><b1>8.410597850e+04</b1><b2>4.130047418e+00</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>4.432528010e+08</a1><a2>-2.886018412e+05</a2><a3>7.737108320e+01</a3><a4>-9.715281890e-03</a4><a5>6.649595330e-07</a5><a6>-2.230078776e-11</a6><a7>2.899388702e-16</a7><b1>2.355273444e+06</b1><b2>-6.405123160e+02</b2></T_range></specie><specie inp_file_name="C+"><identification><InChIKey>OKTJSMMVPCPJKN-UHFFFAOYSA-N</InChIKey><canonical_smiles>[C]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>carbon</IUPAC_name></identification><comment>Moore,1970b. Gordon,1999.</comment><reference>g 6/98</reference><elements><element C="1" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.0120101514</molecular_weight><hf298.15>1809444.482</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>2.258535929e+03</a1><a2>-1.574575687e+00</a2><a3>2.503637730e+00</a3><a4>-5.202878370e-06</a4><a5>4.516908390e-09</a5><a6>-2.181431053e-12</a6><a7>4.495047033e-16</a7><b1>2.168951913e+05</b1><b2>4.345699505e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.255112551e+04</a1><a2>-3.411874670e+01</a2><a3>2.543383218e+00</a3><a4>-2.805120849e-05</a4><a5>9.751641970e-09</a5><a6>-1.736855394e-12</a6><a7>1.246191931e-16</a7><b1>2.171001786e+05</b1><b2>4.063913515e+00</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>5.618135320e+05</a1><a2>-6.047058900e+03</a2><a3>5.884541470e+00</a3><a4>-7.211894530e-04</a4><a5>6.823484110e-08</a5><a6>-2.599878590e-12</a6><a7>3.633868358e-17</a7><b1>2.581370458e+05</b1><b2>-2.280019759e+01</b2></T_range></specie><specie inp_file_name="C-"><identification><InChIKey>OKTJSMMVPCPJKN-UHFFFAOYSA-N</InChIKey><canonical_smiles>[C]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>carbon</IUPAC_name></identification><comment>Hotop,1985. Gordon,1999.</comment><reference>g 3/98</reference><elements><element C="1" /><element E="1" /></elements><condensed>False</condensed><molecular_weight>0.0120112486</molecular_weight><hf298.15>588314.236</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>4.671291530e+00</a1><a2>-1.986169369e-03</a2><a3>2.500008638e+00</a3><a4>-1.976750928e-08</a4><a5>2.478947477e-11</a5><a6>-1.610664044e-14</a6><a7>4.236506810e-18</a7><b1>7.001218550e+04</b1><b2>4.879570141e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>4.253175720e+00</a1><a2>5.778186480e-04</a2><a3>2.499999424e+00</a3><a4>2.836136231e-10</a4><a5>-7.327253420e-14</a5><a6>9.478507810e-18</a6><a7>-4.830487320e-22</a7><b1>7.001217170e+04</b1><b2>4.879624211e+00</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>1.223289007e+01</a1><a2>-5.196185830e-03</a2><a3>2.500001344e+00</a3><a4>-1.743497251e-10</a4><a5>1.206609009e-14</a5><a6>-4.252419790e-19</a6><a7>5.992333270e-24</a7><b1>7.001221630e+04</b1><b2>4.879608421e+00</b2></T_range></specie><specie inp_file_name="CBr"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1991 pt1 p157 pt2 p137.</comment><reference>tpis91</reference><elements><element C="1" /><element Br="1" /></elements><condensed>False</condensed><molecular_weight>0.0919147</molecular_weight><hf298.15>490431.816</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>4.324446880e+03</a1><a2>-1.596366559e+02</a2><a3>4.857856590e+00</a3><a4>-4.389439160e-04</a4><a5>4.408863630e-07</a5><a6>-2.281330618e-10</a6><a7>5.445618220e-14</a7><b1>5.847677250e+04</b1><b2>1.351169646e-01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.021862102e+06</a1><a2>-3.243484360e+03</a2><a3>8.388226560e+00</a3><a4>-2.242155508e-03</a4><a5>6.988355370e-07</a5><a6>-9.719134370e-11</a6><a7>4.716976240e-15</a7><b1>7.805924060e+04</b1><b2>-2.518386915e+01</b2></T_range></specie><specie inp_file_name="CBr2"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1991 pt1 p159 pt2 p138.</comment><reference>tpis91</reference><elements><element C="1" /><element Br="2" /></elements><condensed>False</condensed><molecular_weight>0.17181870000000002</molecular_weight><hf298.15>336623.319</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>7.248197840e+04</a1><a2>-1.128261230e+03</a2><a3>9.822303380e+00</a3><a4>-3.872748100e-03</a4><a5>2.904819596e-06</a5><a6>-1.061380159e-09</a6><a7>1.297474642e-13</a7><b1>4.437771600e+04</b1><b2>-2.361121795e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-7.441431410e+05</a1><a2>4.215427830e+02</a2><a3>8.796797740e+00</a3><a4>-2.726562507e-03</a4><a5>1.336438546e-06</a5><a6>-2.304854483e-10</a6><a7>1.337493953e-14</a7><b1>3.364618140e+04</b1><b2>-1.599565135e+01</b2></T_range></specie><specie inp_file_name="CBr3"><identification><InChIKey>ROWMQJJMCWDJDT-UHFFFAOYSA-N</InChIKey><canonical_smiles>[C](Br)(Br)Br</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>tribromomethane</IUPAC_name></identification><comment>Gurvich,1991 pt1 p160 pt2 p139.</comment><reference>tpis91</reference><elements><element C="1" /><element Br="3" /></elements><condensed>False</condensed><molecular_weight>0.2517227</molecular_weight><hf298.15>235000.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>8.563516260e+04</a1><a2>-1.275764123e+03</a2><a3>1.117190031e+01</a3><a4>2.341705749e-03</a4><a5>-6.540671410e-06</a5><a6>5.736717140e-09</a6><a7>-1.777823046e-12</a7><b1>3.243215890e+04</b1><b2>-2.766468801e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.926498949e+05</a1><a2>-1.324072178e+02</a2><a3>1.009808665e+01</a3><a4>-3.895040820e-05</a4><a5>8.550445010e-09</a5><a6>-9.747493680e-13</a6><a7>4.494245590e-17</a7><b1>2.541576129e+04</b1><b2>-1.866868947e+01</b2></T_range></specie><specie inp_file_name="CBr4"><identification><InChIKey>HJUGFYREWKUQJT-UHFFFAOYSA-N</InChIKey><canonical_smiles>C(Br)(Br)(Br)Br</canonical_smiles><cas_number>558-13-4</cas_number><IUPAC_name>tetrabromomethane</IUPAC_name></identification><comment>Kudchadker,1975.</comment><reference>g 8/99</reference><elements><element C="1" /><element Br="4" /></elements><condensed>False</condensed><molecular_weight>0.33162670000000005</molecular_weight><hf298.15>79500.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.023083739e+05</a1><a2>-1.735600709e+03</a2><a3>1.651317914e+01</a3><a4>-3.147664747e-03</a4><a5>2.924135486e-07</a5><a6>1.360605681e-09</a6><a7>-6.431758650e-13</a7><b1>1.500502543e+04</b1><b2>-5.536476760e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.059785072e+05</a1><a2>-1.048517002e+02</a2><a3>1.307772550e+01</a3><a4>-3.086857556e-05</a4><a5>6.775309810e-09</a5><a6>-7.721837540e-13</a6><a7>3.559218240e-17</a7><b1>5.615893940e+03</b1><b2>-3.283787630e+01</b2></T_range></specie><specie inp_file_name="CCl"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Hf:Kumaran,1997. Gurvich,1991 pt1 p106 pt2 p81.</comment><reference>g 8/99</reference><elements><element C="1" /><element Cl="1" /></elements><condensed>False</condensed><molecular_weight>0.047463700000000004</molecular_weight><hf298.15>432611.058</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.707070049e+04</a1><a2>-1.463803497e+01</a2><a3>2.334108251e+00</a3><a4>7.202099130e-03</a4><a5>-1.034120045e-05</a5><a6>7.228106700e-09</a6><a7>-1.985123755e-12</a7><b1>5.123350300e+04</b1><b2>1.200820386e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>5.900507630e+05</a1><a2>-2.075311460e+03</a2><a3>6.880017230e+00</a3><a4>-1.294796228e-03</a4><a5>3.883137980e-07</a5><a6>-5.006981630e-11</a6><a7>2.218229619e-15</a7><b1>6.358922050e+04</b1><b2>-1.610664472e+01</b2></T_range></specie><specie inp_file_name="CClBr3"><identification><InChIKey>GKXZMEXQUWZGJK-UHFFFAOYSA-N</InChIKey><canonical_smiles>C(Cl)(Br)(Br)Br</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>tribromo(chloro)methane</IUPAC_name></identification><comment>Gurvich,1991 pt1 p171 pt2 p152.</comment><reference>tpis91</reference><elements><element C="1" /><element Cl="1" /><element Br="3" /></elements><condensed>False</condensed><molecular_weight>0.28717570000000003</molecular_weight><hf298.15>65000.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.021596752e+05</a1><a2>-1.746281176e+03</a2><a3>1.598215634e+01</a3><a4>-1.350975234e-03</a4><a5>-2.330039129e-06</a5><a6>3.201856270e-09</a6><a7>-1.150412393e-12</a7><b1>1.341967771e+04</b1><b2>-5.285079043e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.282709343e+05</a1><a2>-1.277037936e+02</a2><a3>1.309470658e+01</a3><a4>-3.763326710e-05</a4><a5>8.264715600e-09</a5><a6>-9.424237560e-13</a6><a7>4.345940760e-17</a7><b1>3.930463310e+03</b1><b2>-3.315414033e+01</b2></T_range></specie><specie inp_file_name="CCl2"><identification><InChIKey>PFBUKDPBVNJDEW-UHFFFAOYSA-N</InChIKey><canonical_smiles>[C](Cl)Cl</canonical_smiles><cas_number>1605-72-7</cas_number><IUPAC_name>dichloromethane</IUPAC_name></identification><comment>Hf:Kumaran,1997. Jacox,1994. Shin,1990.</comment><reference>g 8/99</reference><elements><element C="1" /><element Cl="2" /></elements><condensed>False</condensed><molecular_weight>0.08291670000000001</molecular_weight><hf298.15>222940.147</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>7.509623150e+04</a1><a2>-1.034728559e+03</a2><a3>8.061704540e+00</a3><a4>1.487134213e-03</a4><a5>-4.564817110e-06</a5><a6>3.954885810e-09</a6><a7>-1.166197091e-12</a7><b1>3.052409293e+04</b1><b2>-1.739691692e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-6.437455170e+06</a1><a2>1.958413353e+04</a2><a3>-1.604038625e+01</a3><a4>1.238833906e-02</a4><a5>-3.013367274e-06</a5><a6>3.473468920e-10</a6><a7>-1.553272793e-14</a7><b1>-9.961242160e+04</b1><b2>1.556949315e+02</b2></T_range></specie><specie inp_file_name="CCl2Br2"><identification><InChIKey>IHUREIPXVFKEDT-UHFFFAOYSA-N</InChIKey><canonical_smiles>C(Cl)(Cl)(Br)Br</canonical_smiles><cas_number>594-18-3</cas_number><IUPAC_name>dibromo(dichloro)methane</IUPAC_name></identification><comment>Gurvich,1991 pt1 p170 pt2 p151.</comment><reference>tpis91</reference><elements><element C="1" /><element Cl="2" /><element Br="2" /></elements><condensed>False</condensed><molecular_weight>0.24272470000000002</molecular_weight><hf298.15>10000.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.018495619e+05</a1><a2>-1.740854039e+03</a2><a3>1.521338304e+01</a3><a4>1.128256510e-03</a4><a5>-5.875405490e-06</a5><a6>5.659886970e-09</a6><a7>-1.821576512e-12</a7><b1>6.918572190e+03</b1><b2>-5.015385819e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.553347012e+05</a1><a2>-1.598005477e+02</a2><a3>1.311860930e+01</a3><a4>-4.717443870e-05</a4><a5>1.036912808e-08</a5><a6>-1.183321687e-12</a6><a7>5.460612690e-17</a7><b1>-2.588636980e+03</b1><b2>-3.461705319e+01</b2></T_range></specie><specie inp_file_name="CCl3"><identification><InChIKey>ZBZJXHCVGLJWFG-UHFFFAOYSA-N</InChIKey><canonical_smiles>[C](Cl)(Cl)Cl</canonical_smiles><cas_number>3170-80-7</cas_number><IUPAC_name>trichloromethane</IUPAC_name></identification><comment>Hf:Hudgens,1991. TRC(12/93) tuv7270.</comment><reference>n12/93</reference><elements><element C="1" /><element Cl="3" /></elements><condensed>False</condensed><molecular_weight>0.1183697</molecular_weight><hf298.15>71128.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>3.414471650e+04</a1><a2>-5.547969730e+02</a2><a3>6.845544390e+00</a3><a4>1.242006495e-02</a4><a5>-2.036896881e-05</a5><a6>1.554979993e-08</a6><a7>-4.568940110e-12</a7><b1>9.388568820e+03</b1><b2>-7.143598465e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-5.427572540e+05</a1><a2>6.809020620e+02</a2><a3>9.047723620e+00</a3><a4>1.324277766e-04</a4><a5>6.301263040e-08</a5><a6>-2.656639200e-11</a6><a7>2.105668053e-15</a7><b1>3.866216150e+02</b1><b2>-1.528745849e+01</b2></T_range></specie><specie inp_file_name="CCl3Br"><identification><InChIKey>XNNQFQFUQLJSQT-UHFFFAOYSA-N</InChIKey><canonical_smiles>C(Cl)(Cl)(Cl)Br</canonical_smiles><cas_number>75-62-7</cas_number><IUPAC_name>bromo(trichloro)methane</IUPAC_name></identification><comment>Gurvich,1991 pt1 p169 pt2 p150.</comment><reference>tpis91</reference><elements><element C="1" /><element Cl="3" /><element Br="1" /></elements><condensed>False</condensed><molecular_weight>0.1982737</molecular_weight><hf298.15>-43000.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.049668463e+05</a1><a2>-1.793828482e+03</a2><a3>1.489250892e+01</a3><a4>2.397128310e-03</a4><a5>-7.789615470e-06</a5><a6>7.016617110e-09</a6><a7>-2.196069746e-12</a7><b1>9.101349310e+02</b1><b2>-5.058348139e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.772324186e+05</a1><a2>-1.840310333e+02</a2><a3>1.313673812e+01</a3><a4>-5.443910010e-05</a4><a5>1.197658923e-08</a5><a6>-1.367818632e-12</a6><a7>6.316164790e-17</a7><b1>-8.895857690e+03</b1><b2>-3.669528209e+01</b2></T_range></specie><specie inp_file_name="CCl4"><identification><InChIKey>VZGDMQKNWNREIO-UHFFFAOYSA-N</InChIKey><canonical_smiles>C(Cl)(Cl)(Cl)Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>tetrachloromethane</IUPAC_name></identification><comment>Gurvich,1991 pt1 p111 pt2 p84.</comment><reference>tpis91</reference><elements><element C="1" /><element Cl="4" /></elements><condensed>False</condensed><molecular_weight>0.1538227</molecular_weight><hf298.15>-95600.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.093385626e+05</a1><a2>-1.861731846e+03</a2><a3>1.449632467e+01</a3><a4>3.949485160e-03</a4><a5>-1.010805379e-05</a5><a6>8.645514170e-09</a6><a7>-2.642368852e-12</a7><b1>-4.948006230e+03</b1><b2>-5.180284750e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-3.043078255e+05</a1><a2>-2.168170491e+02</a2><a3>1.316132386e+01</a3><a4>-6.431124890e-05</a4><a5>1.416482497e-08</a5><a6>-1.619343320e-12</a6><a7>7.483974350e-17</a7><b1>-1.512320070e+04</b1><b2>-3.996844300e+01</b2></T_range></specie><specie inp_file_name="CF"><identification><InChIKey>NJCQVAKYBOCUCS-UHFFFAOYSA-M</InChIKey><canonical_smiles>[C].[F-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>carbon;fluoride</IUPAC_name></identification><comment>Hf:TRC(6/88) w6950. Gurvich,1991 pt1 p74 pt2 p55.</comment><reference>tpis91</reference><elements><element C="1" /><element F="1" /></elements><condensed>False</condensed><molecular_weight>0.0310091032</molecular_weight><hf298.15>242300.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-4.582786680e+04</a1><a2>7.972635890e+02</a2><a3>-1.364936319e+00</a3><a4>1.312359375e-02</a4><a5>-1.457012892e-05</a5><a6>8.253276680e-09</a6><a7>-1.896351845e-12</a7><b1>2.438259620e+04</b1><b2>3.248065280e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.329807100e+05</a1><a2>-1.214340891e+02</a2><a3>4.452413620e+00</a3><a4>1.293786948e-04</a4><a5>-3.670550590e-08</a5><a6>6.590212390e-12</a6><a7>-3.731261610e-16</a7><b1>2.815934108e+04</b1><b2>-6.640468730e-01</b2></T_range></specie><specie inp_file_name="CF+"><identification><InChIKey>NJCQVAKYBOCUCS-UHFFFAOYSA-M</InChIKey><canonical_smiles>[C].[F-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>carbon;fluoride</IUPAC_name></identification><comment>Chase,1998 p579 12/70.</comment><reference>g12/99</reference><elements><element C="1" /><element F="1" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.031008554600000002</molecular_weight><hf298.15>1145564.099</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>-5.975213200e+04</a1><a2>9.276863650e+02</a2><a3>-1.866581982e+00</a3><a4>1.384340912e-02</a4><a5>-1.513428860e-05</a5><a6>8.518556340e-09</a6><a7>-1.959577655e-12</a7><b1>1.323519410e+05</b1><b2>3.412013190e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-8.053762780e+04</a1><a2>-3.390275090e+02</a2><a3>4.708373500e+00</a3><a4>-3.963148310e-05</a4><a5>2.497996218e-08</a5><a6>-5.236790430e-12</a6><a7>5.313949130e-16</a7><b1>1.381337068e+05</b1><b2>-3.920514730e+00</b2></T_range></specie><specie inp_file_name="CFBr3"><identification><InChIKey>IHZAEIHJPNTART-UHFFFAOYSA-N</InChIKey><canonical_smiles>C(F)(Br)(Br)Br</canonical_smiles><cas_number>353-54-8</cas_number><IUPAC_name>tribromo(fluoro)methane</IUPAC_name></identification><comment>Gurvich,1991 pt1 p166 pt2 p146.</comment><reference>tpis91</reference><elements><element C="1" /><element F="1" /><element Br="3" /></elements><condensed>False</condensed><molecular_weight>0.27072110320000004</molecular_weight><hf298.15>-120000.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>5.149244280e+04</a1><a2>-9.364796640e+02</a2><a3>1.044260886e+01</a3><a4>1.205370047e-02</a4><a5>-1.876290291e-05</a5><a6>1.344488618e-08</a6><a7>-3.730545760e-12</a7><b1>-1.243246293e+04</b1><b2>-2.363948551e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.729158956e+05</a1><a2>-3.328164650e+02</a2><a3>1.324822519e+01</a3><a4>-9.927077540e-05</a4><a5>2.193640054e-08</a5><a6>-2.515424945e-12</a6><a7>1.165680878e-16</a7><b1>-1.730185479e+04</b1><b2>-3.626818430e+01</b2></T_range></specie><specie inp_file_name="CFCl"><identification><InChIKey>KYKAJFCTULSVSH-UHFFFAOYSA-N</InChIKey><canonical_smiles>[C](F)Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>chloro(fluoro)methane</IUPAC_name></identification><comment>Hf:Gurvich,1991 pt1 p135 pt2 p107. Jacox,1994.</comment><reference>g 9/99</reference><elements><element C="1" /><element F="1" /><element Cl="1" /></elements><condensed>False</condensed><molecular_weight>0.0664621032</molecular_weight><hf298.15>25845.774</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.541997945e+04</a1><a2>-8.274039810e+01</a2><a3>2.501701822e+00</a3><a4>1.390738086e-02</a4><a5>-1.895734700e-05</a5><a6>1.261934581e-08</a6><a7>-3.333453820e-12</a7><b1>2.411755114e+03</b1><b2>1.331517094e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.681630077e+05</a1><a2>-2.328091539e+00</a2><a3>6.834633830e+00</a3><a4>1.565270633e-04</a4><a5>-5.967755160e-08</a5><a6>9.820924460e-12</a6><a7>-5.058897210e-16</a7><b1>3.017669604e+02</b1><b2>-9.005085129e+00</b2></T_range></specie><specie inp_file_name="CFClBr2"><identification><InChIKey>HEDKQVNHJZBFQR-UHFFFAOYSA-N</InChIKey><canonical_smiles>C(F)(Cl)(Br)Br</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dibromo-chloro-fluoromethane</IUPAC_name></identification><comment>Gurvich,1991 pt1 p175 pt2 p158.</comment><reference>tpis91</reference><elements><element C="1" /><element F="1" /><element Cl="1" /><element Br="2" /></elements><condensed>False</condensed><molecular_weight>0.2262701032</molecular_weight><hf298.15>-175000.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>5.898799740e+04</a1><a2>-1.050714861e+03</a2><a3>1.039349401e+01</a3><a4>1.273690622e-02</a4><a5>-1.999097478e-05</a5><a6>1.438204230e-08</a6><a7>-4.000130350e-12</a7><b1>-1.837799602e+04</b1><b2>-2.417479131e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.960811596e+05</a1><a2>-3.531276200e+02</a2><a3>1.326346169e+01</a3><a4>-1.053860298e-04</a4><a5>2.329085080e-08</a5><a6>-2.670979639e-12</a6><a7>1.237844667e-16</a7><b1>-2.387594306e+04</b1><b2>-3.684977271e+01</b2></T_range></specie><specie inp_file_name="CFCl2"><identification><InChIKey>BAPZCSMFCUVUHW-UHFFFAOYSA-N</InChIKey><canonical_smiles>[C](F)(Cl)Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dichloro(fluoro)methane</IUPAC_name></identification><comment>Gurvich,1991 pt1 p138 pt2 p110.</comment><reference>tpis91</reference><elements><element C="1" /><element F="1" /><element Cl="2" /></elements><condensed>False</condensed><molecular_weight>0.10191510320000001</molecular_weight><hf298.15>-105000.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>2.611398792e+04</a1><a2>-3.353565900e+02</a2><a3>4.094673080e+00</a3><a4>1.960244711e-02</a4><a5>-2.762775193e-05</a5><a6>1.880124302e-08</a6><a7>-5.047410300e-12</a7><b1>-1.251298871e+04</b1><b2>6.870882561e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.653118323e+05</a1><a2>-4.469724170e+02</a2><a3>1.033334881e+01</a3><a4>-1.333673368e-04</a4><a5>2.948755634e-08</a5><a6>-3.383306200e-12</a6><a7>1.568746348e-16</a7><b1>-1.393160489e+04</b1><b2>-2.556817972e+01</b2></T_range></specie><specie inp_file_name="CFCl2Br"><identification><InChIKey>ARBYBCHKMDUXNE-UHFFFAOYSA-N</InChIKey><canonical_smiles>C(F)(Cl)(Cl)Br</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>bromo-dichloro-fluoromethane</IUPAC_name></identification><comment>Gurvich,1991 pt1 p175 pt2 p157.</comment><reference>tpis91</reference><elements><element C="1" /><element F="1" /><element Cl="2" /><element Br="1" /></elements><condensed>False</condensed><molecular_weight>0.1818191032</molecular_weight><hf298.15>-235000.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>6.529959220e+04</a1><a2>-1.135235485e+03</a2><a3>1.009526872e+01</a3><a4>1.401380147e-02</a4><a5>-2.191705096e-05</a5><a6>1.573404132e-08</a6><a7>-4.369340340e-12</a7><b1>-2.504488145e+04</b1><b2>-2.451093103e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-3.215455050e+05</a1><a2>-3.884129620e+02</a2><a3>1.328990796e+01</a3><a4>-1.160048581e-04</a4><a5>2.564498787e-08</a5><a6>-2.941639768e-12</a6><a7>1.363542881e-16</a7><b1>-3.097421144e+04</b1><b2>-3.871356695e+01</b2></T_range></specie><specie inp_file_name="CFCl3"><identification><InChIKey>CYRMSUTZVYGINF-UHFFFAOYSA-N</InChIKey><canonical_smiles>C(F)(Cl)(Cl)Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>trichloro(fluoro)methane</IUPAC_name></identification><comment>Hf:TRC(6/89) w7350. Gurvich,1991 pt1 p140 pt2 p112.</comment><reference>g 7/99</reference><elements><element C="1" /><element F="1" /><element Cl="3" /></elements><condensed>False</condensed><molecular_weight>0.1373681032</molecular_weight><hf298.15>-283700.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>7.400174000e+04</a1><a2>-1.252282466e+03</a2><a3>1.001327229e+01</a3><a4>1.475107601e-02</a4><a5>-2.315635251e-05</a5><a6>1.664207025e-08</a6><a7>-4.622929960e-12</a7><b1>-3.020508601e+04</b1><b2>-2.708387087e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-3.450464780e+05</a1><a2>-4.177821450e+02</a2><a3>1.331196736e+01</a3><a4>-1.248759531e-04</a4><a5>2.761391353e-08</a5><a6>-3.168207640e-12</a6><a7>1.468834601e-16</a7><b1>-3.674067190e+04</b1><b2>-4.156886057e+01</b2></T_range></specie><specie inp_file_name="CF2"><identification><InChIKey>LTVOKYUPTHZZQH-UHFFFAOYSA-N</InChIKey><canonical_smiles>[C](F)F</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>difluoromethane</IUPAC_name></identification><comment>Hf:TRC(6/88) w6950. Jacox,1998.</comment><reference>g 9/99</reference><elements><element C="1" /><element F="2" /></elements><condensed>False</condensed><molecular_weight>0.0500075064</molecular_weight><hf298.15>-186600.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-3.797026270e+04</a1><a2>8.731800030e+02</a2><a3>-3.460191570e+00</a3><a4>2.746253741e-02</a4><a5>-3.474621900e-05</a5><a6>2.204470693e-08</a6><a7>-5.621750850e-12</a7><b1>-2.746797157e+04</b1><b2>4.456778070e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.086428547e+05</a1><a2>-5.854989140e+02</a2><a3>7.018648950e+00</a3><a4>3.929186150e-04</a4><a5>-2.603822675e-07</a5><a6>6.142196390e-11</a6><a7>-4.172833260e-15</a7><b1>-2.152945157e+04</b1><b2>-1.356143285e+01</b2></T_range></specie><specie inp_file_name="CF2+"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Chase,1998 p583 12/70. Jacox,1994.</comment><reference>g 9/99</reference><elements><element C="1" /><element F="2" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.0500069578</molecular_weight><hf298.15>949341.299</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>-2.892373827e+04</a1><a2>6.049354610e+02</a2><a3>-9.721866660e-01</a3><a4>1.808478341e-02</a4><a5>-1.980065782e-05</a5><a6>1.101640055e-08</a6><a7>-2.500457119e-12</a7><b1>1.102755670e+05</b1><b2>3.247591470e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-6.488966070e+04</a1><a2>-1.064283593e+03</a2><a3>7.785702100e+00</a3><a4>-3.158347626e-04</a4><a5>7.130804080e-08</a5><a6>-8.533183590e-12</a6><a7>4.251638820e-16</a7><b1>1.178446465e+05</b1><b2>-1.819424707e+01</b2></T_range></specie><specie inp_file_name="CF2Br2"><identification><InChIKey>AZSZCFSOHXEJQE-UHFFFAOYSA-N</InChIKey><canonical_smiles>C(F)(F)(Br)Br</canonical_smiles><cas_number>75-61-6</cas_number><IUPAC_name>dibromo(difluoro)methane</IUPAC_name></identification><comment>Gurvich,1991 pt1 p166 pt2 p145.</comment><reference>tpis91</reference><elements><element C="1" /><element F="2" /><element Br="2" /></elements><condensed>False</condensed><molecular_weight>0.2098155064</molecular_weight><hf298.15>-380000.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.261404028e+04</a1><a2>-2.815725114e+02</a2><a3>5.098032130e+00</a3><a4>2.502548939e-02</a4><a5>-3.438853190e-05</a5><a6>2.297615553e-08</a6><a7>-6.080161430e-12</a7><b1>-4.642763750e+04</b1><b2>3.094167118e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-3.327669300e+05</a1><a2>-6.184352490e+02</a2><a3>1.346170049e+01</a3><a4>-1.849172548e-04</a4><a5>4.092591340e-08</a5><a6>-4.699810430e-12</a6><a7>2.180811799e-16</a7><b1>-4.715186610e+04</b1><b2>-4.105369240e+01</b2></T_range></specie><specie inp_file_name="CF2Cl"><identification><InChIKey>GPLCWLIEPDFDHA-UHFFFAOYSA-N</InChIKey><canonical_smiles>[C+](F)(F)Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>chloro(difluoro)methane</IUPAC_name></identification><comment>Gurvich,1991 pt1 p136 pt2 p108.</comment><reference>tpis91</reference><elements><element C="1" /><element F="2" /><element Cl="1" /></elements><condensed>False</condensed><molecular_weight>0.0854605064</molecular_weight><hf298.15>-275000.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>8.914558350e+03</a1><a2>-1.768816959e+01</a2><a3>1.607015025e+00</a3><a4>2.473626554e-02</a4><a5>-3.270738940e-05</a5><a6>2.126351830e-08</a6><a7>-5.509831110e-12</a7><b1>-3.427306250e+04</b1><b2>1.929680690e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.802346654e+05</a1><a2>-6.860314850e+02</a2><a3>1.051143635e+01</a3><a4>-2.046954963e-04</a4><a5>4.528897180e-08</a5><a6>-5.200229030e-12</a6><a7>2.412971450e-16</a7><b1>-3.308179480e+04</b1><b2>-2.874899785e+01</b2></T_range></specie><specie inp_file_name="CF2ClBr"><identification><InChIKey>MEXUFEQDCXZEON-UHFFFAOYSA-N</InChIKey><canonical_smiles>C(F)(F)(Cl)Br</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>bromo-chloro-difluoromethane</IUPAC_name></identification><comment>Gurvich,1991 pt1 p173 pt2 p156.</comment><reference>tpis91</reference><elements><element C="1" /><element F="2" /><element Cl="1" /><element Br="1" /></elements><condensed>False</condensed><molecular_weight>0.1653645064</molecular_weight><hf298.15>-435000.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>2.696699365e+04</a1><a2>-4.678832270e+02</a2><a3>5.244809420e+00</a3><a4>2.530121349e-02</a4><a5>-3.508443520e-05</a5><a6>2.354353958e-08</a6><a7>-6.246161130e-12</a7><b1>-5.198382730e+04</b1><b2>8.532887803e-01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-3.592828840e+05</a1><a2>-6.539283590e+02</a2><a3>1.348831524e+01</a3><a4>-1.956099469e-04</a4><a5>4.329775970e-08</a5><a6>-4.972644370e-12</a6><a7>2.307575050e-16</a7><b1>-5.365141170e+04</b1><b2>-4.224913908e+01</b2></T_range></specie><specie inp_file_name="CF2Cl2"><identification><InChIKey>PXBRQCKWGAHEHS-UHFFFAOYSA-N</InChIKey><canonical_smiles>C(F)(F)(Cl)Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dichloro(difluoro)methane</IUPAC_name></identification><comment>Hf:TRC(6/89) w7350.Gurvich,1991 pt1 p139 pt2 p111.</comment><reference>g 7/99</reference><elements><element C="1" /><element F="2" /><element Cl="2" /></elements><condensed>False</condensed><molecular_weight>0.12091350640000001</molecular_weight><hf298.15>-490800.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>3.841258750e+04</a1><a2>-6.139499820e+02</a2><a3>5.269667190e+00</a3><a4>2.574105783e-02</a4><a5>-3.587376480e-05</a5><a6>2.411600130e-08</a6><a7>-6.402236900e-12</a7><b1>-5.784541330e+04</b1><b2>-1.957454856e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-3.827448550e+05</a1><a2>-6.933774800e+02</a2><a3>1.351791274e+01</a3><a4>-2.075114435e-04</a4><a5>4.594021610e-08</a5><a6>-5.276874600e-12</a6><a7>2.449037044e-16</a7><b1>-6.021527770e+04</b1><b2>-4.479580046e+01</b2></T_range></specie><specie inp_file_name="CF3"><identification><InChIKey>WZKSXHQDXQKIQJ-UHFFFAOYSA-N</InChIKey><canonical_smiles>[C](F)(F)F</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>trifluoromethane</IUPAC_name></identification><comment>Hf:TRC(6/88) w6950. Jacox,1998.</comment><reference>g 8/99</reference><elements><element C="1" /><element F="3" /></elements><condensed>False</condensed><molecular_weight>0.0690059096</molecular_weight><hf298.15>-467400.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-2.978307106e+04</a1><a2>7.153678830e+02</a2><a3>-3.498185380e+00</a3><a4>3.595457990e-02</a4><a5>-4.507974430e-05</a5><a6>2.821808450e-08</a6><a7>-7.098047020e-12</a7><b1>-6.059997030e+04</b1><b2>4.502592640e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.997305557e+05</a1><a2>-1.046989457e+03</a2><a3>1.077923191e+01</a3><a4>-3.116087076e-04</a4><a5>6.891351430e-08</a5><a6>-7.911225640e-12</a6><a7>3.670593020e-16</a7><b1>-5.425304400e+04</b1><b2>-3.417038790e+01</b2></T_range></specie><specie inp_file_name="CF3+"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Chase,1998 p583 12/71. Jacox,1998.</comment><reference>g 9/99</reference><elements><element C="1" /><element F="3" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.06900536099999999</molecular_weight><hf298.15>423617.480</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>-3.587463540e+04</a1><a2>3.743506700e+02</a2><a3>7.787413930e-01</a3><a4>1.929435768e-02</a4><a5>-1.892815770e-05</a5><a6>9.363908760e-09</a6><a7>-1.885759656e-12</a7><b1>4.775581720e+04</b1><b2>2.224044005e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.910919531e+04</a1><a2>-1.996658183e+03</a2><a3>1.144279678e+01</a3><a4>-5.653393040e-04</a4><a5>1.232297113e-07</a5><a6>-1.399758046e-11</a6><a7>6.443017950e-16</a7><b1>5.902345800e+04</b1><b2>-4.080349990e+01</b2></T_range></specie><specie inp_file_name="CF3Br"><identification><InChIKey>RJCQBQGAPKAMLL-UHFFFAOYSA-N</InChIKey><canonical_smiles>C(F)(F)(F)Br</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>bromo(trifluoro)methane</IUPAC_name></identification><comment>Gurvich,1991 pt1 p165 pt2 p144.</comment><reference>tpis91</reference><elements><element C="1" /><element F="3" /><element Br="1" /></elements><condensed>False</condensed><molecular_weight>0.1489099096</molecular_weight><hf298.15>-648800.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-5.439489010e+03</a1><a2>1.243615190e+02</a2><a3>9.231941950e-01</a3><a4>3.481044380e-02</a4><a5>-4.549645490e-05</a5><a6>2.932836552e-08</a6><a7>-7.548000360e-12</a7><b1>-8.023396760e+04</b1><b2>2.232999096e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-3.834088510e+05</a1><a2>-9.719093300e+02</a2><a3>1.372477396e+01</a3><a4>-2.901710612e-04</a4><a5>6.421892200e-08</a5><a6>-7.375688770e-12</a6><a7>3.423154250e-16</a7><b1>-7.765306310e+04</b1><b2>-4.717367210e+01</b2></T_range></specie><specie inp_file_name="CF3Cl"><identification><InChIKey>AFYPFACVUDMOHA-UHFFFAOYSA-N</InChIKey><canonical_smiles>C(F)(F)(F)Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>chloro(trifluoro)methane</IUPAC_name></identification><comment>Hf:TRC(6/89) w7350. Gurvich,1991 pt1 p137 pt2 p109.</comment><reference>g 7/99</reference><elements><element C="1" /><element F="3" /><element Cl="1" /></elements><condensed>False</condensed><molecular_weight>0.1044589096</molecular_weight><hf298.15>-704200.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.499409978e+04</a1><a2>-1.365768572e+02</a2><a3>1.452912370e+00</a3><a4>3.404765070e-02</a4><a5>-4.473777640e-05</a5><a6>2.888115112e-08</a6><a7>-7.434171330e-12</a7><b1>-8.547166640e+04</b1><b2>1.727327095e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-4.066042120e+05</a1><a2>-1.022626507e+03</a2><a3>1.376252628e+01</a3><a4>-3.052722979e-04</a4><a5>6.755966040e-08</a5><a6>-7.759315250e-12</a6><a7>3.601192290e-16</a7><b1>-8.410559370e+04</b1><b2>-4.913411939e+01</b2></T_range></specie><specie inp_file_name="CF4"><identification><InChIKey>TXEYQDLBPFQVAA-UHFFFAOYSA-N</InChIKey><canonical_smiles>C(F)(F)(F)F</canonical_smiles><cas_number>75-73-0</cas_number><IUPAC_name>tetrafluoromethane</IUPAC_name></identification><comment>Hf:TRC(12/94) w6520. Gurvich,1991 pt1 p79 pt2 p58.</comment><reference>g 7/99</reference><elements><element C="1" /><element F="4" /></elements><condensed>False</condensed><molecular_weight>0.0880043128</molecular_weight><hf298.15>-933120.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>9.817458500e+03</a1><a2>1.163343483e+02</a2><a3>-1.288338636e+00</a3><a4>3.959566910e-02</a4><a5>-4.996244210e-05</a5><a6>3.125339346e-08</a6><a7>-7.841700320e-12</a7><b1>-1.138502297e+05</b1><b2>2.938656548e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-4.164456780e+05</a1><a2>-1.414797167e+03</a2><a3>1.405124837e+01</a3><a4>-4.199093860e-04</a4><a5>9.278921610e-08</a5><a6>-1.064575830e-11</a6><a7>4.937099680e-16</a7><b1>-1.094691149e+05</b1><b2>-5.487105000e+01</b2></T_range></specie><specie inp_file_name="CH"><identification><InChIKey>VPIURJINGFGPNS-UHFFFAOYSA-N</InChIKey><canonical_smiles>[CH-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>carbon(1-) monohydride</IUPAC_name></identification><comment>Gurvich,1979 pt1 p37 pt2 p39.</comment><reference>tpis79</reference><elements><element C="1" /><element H="1" /></elements><condensed>False</condensed><molecular_weight>0.01301864</molecular_weight><hf298.15>597370.604</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>2.220590133e+04</a1><a2>-3.405411530e+02</a2><a3>5.531452290e+00</a3><a4>-5.794964260e-03</a4><a5>7.969554880e-06</a5><a6>-4.465911590e-09</a6><a7>9.596338320e-13</a7><b1>7.240783270e+04</b1><b2>-9.107673050e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>2.060763440e+06</a1><a2>-5.396206660e+03</a2><a3>7.856293850e+00</a3><a4>-7.965907450e-04</a4><a5>1.764308305e-07</a5><a6>-1.976386267e-11</a6><a7>5.030429510e-16</a7><b1>1.062236592e+05</b1><b2>-3.154757439e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>-8.068368690e+08</a1><a2>4.575450540e+05</a2><a3>-9.843975080e+01</a3><a4>1.235244098e-02</a4><a5>-8.485608570e-07</a5><a6>3.040410624e-11</a6><a7>-4.400315170e-16</a7><b1>-3.595851590e+06</b1><b2>8.953477440e+02</b2></T_range></specie><specie inp_file_name="CH+"><identification><InChIKey>VPIURJINGFGPNS-UHFFFAOYSA-N</InChIKey><canonical_smiles>[CH-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>carbon(1-) monohydride</IUPAC_name></identification><comment>Gurvich,1991 pt1 p38 pt2 p32.</comment><reference>tpis91</reference><elements><element C="1" /><element H="1" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.0130180914</molecular_weight><hf298.15>1630571.004</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>3.019607105e+04</a1><a2>-4.618141310e+02</a2><a3>6.225641190e+00</a3><a4>-7.775711800e-03</a4><a5>1.094489485e-05</a5><a6>-6.675487910e-09</a6><a7>1.565232409e-12</a7><b1>1.972491928e+05</b1><b2>-1.431512811e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-7.102094670e+06</a1><a2>1.828354883e+04</a2><a3>-1.312691402e+01</a3><a4>6.191717360e-03</a4><a5>-2.909421253e-07</a5><a6>-1.134243575e-10</a6><a7>1.105962085e-14</a7><b1>7.541296040e+04</b1><b2>1.243984829e+02</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>-3.160070489e+08</a1><a2>1.436699396e+05</a2><a3>-1.108443407e+01</a3><a4>1.562285754e-04</a4><a5>4.928498470e-08</a5><a6>-2.896872362e-12</a6><a7>4.982255990e-17</a7><b1>-1.013672855e+06</b1><b2>1.489353241e+02</b2></T_range></specie><specie inp_file_name="CHBr3"><identification><InChIKey>DIKBFYAXUHHXCS-UHFFFAOYSA-N</InChIKey><canonical_smiles>C(Br)(Br)Br</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>bromoform</IUPAC_name></identification><comment>Kudchadker,1975.</comment><reference>g 8/99</reference><elements><element C="1" /><element H="1" /><element Br="3" /></elements><condensed>False</condensed><molecular_weight>0.25273064</molecular_weight><hf298.15>16740.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>4.346576860e+04</a1><a2>-4.999634420e+02</a2><a3>5.620222110e+00</a3><a4>2.079346321e-02</a4><a5>-2.921336328e-05</a5><a6>2.066942448e-08</a6><a7>-5.781220910e-12</a7><b1>2.627830062e+03</b1><b2>1.247904015e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>6.274234950e+05</a1><a2>-3.378711100e+03</a2><a3>1.487852612e+01</a3><a4>-5.932745270e-04</a4><a5>1.082421577e-07</a5><a6>-1.061012665e-11</a6><a7>4.319152450e-16</a7><b1>1.877234659e+04</b1><b2>-5.311909650e+01</b2></T_range></specie><specie inp_file_name="CHCl"><identification><InChIKey>LKYXEULZVGJVTG-UHFFFAOYSA-N</InChIKey><canonical_smiles>[CH]Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>chloromethane</IUPAC_name></identification><comment>Hf:TRC(12/93) w7270.Gurvich,1991. Jacox,1998.</comment><reference>g 9/99</reference><elements><element C="1" /><element H="1" /><element Cl="1" /></elements><condensed>False</condensed><molecular_weight>0.04847164</molecular_weight><hf298.15>297100.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-2.699912334e+05</a1><a2>4.351199730e+03</a2><a3>-2.275911813e+01</a3><a4>7.550621760e-02</a4><a5>-9.071997970e-05</a5><a6>5.256971860e-08</a6><a7>-1.189769182e-11</a7><b1>1.416862680e+04</b1><b2>1.520980812e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-9.548061900e+05</a1><a2>2.174413794e+03</a2><a3>4.867645370e+00</a3><a4>8.321641860e-04</a4><a5>-1.536948638e-07</a5><a6>1.529236537e-11</a6><a7>-6.596159360e-16</a7><b1>1.880121810e+04</b1><b2>2.674761385e+00</b2></T_range></specie><specie inp_file_name="CHClBr2"><identification><InChIKey>GATVIKZLVQHOMN-UHFFFAOYSA-N</InChIKey><canonical_smiles>C(Cl)(Br)Br</canonical_smiles><cas_number>124-48-1</cas_number><IUPAC_name>dibromo(chloro)methane</IUPAC_name></identification><comment>Gurvich,1991 pt1 p173 pt2 p155.</comment><reference>tpis91</reference><elements><element C="1" /><element H="1" /><element Cl="1" /><element Br="2" /></elements><condensed>False</condensed><molecular_weight>0.20827964</molecular_weight><hf298.15>10000.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>3.815380250e+04</a1><a2>-4.084175110e+02</a2><a3>4.639244020e+00</a3><a4>2.325990646e-02</a4><a5>-3.222988860e-05</a5><a6>2.254671151e-08</a6><a7>-6.256507740e-12</a7><b1>1.483809044e+03</b1><b2>6.175235281e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>6.042865300e+05</a1><a2>-3.438241010e+03</a2><a3>1.494162631e+01</a3><a4>-6.228427970e-04</a4><a5>1.153724426e-07</a5><a6>-1.147291377e-11</a6><a7>4.733482860e-16</a7><b1>1.822460958e+04</b1><b2>-5.407258924e+01</b2></T_range></specie><specie inp_file_name="CHCl2"><identification><InChIKey>ZJULYDCRWUEPTK-UHFFFAOYSA-N</InChIKey><canonical_smiles>[CH](Cl)Cl</canonical_smiles><cas_number>3474-12-2</cas_number><IUPAC_name>dichloromethane</IUPAC_name></identification><comment>TRC(12/93) tuvw7270.</comment><reference>n12/93</reference><elements><element C="1" /><element H="1" /><element Cl="2" /></elements><condensed>False</condensed><molecular_weight>0.08392464</molecular_weight><hf298.15>95800.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>5.638556130e+04</a1><a2>-6.562455420e+02</a2><a3>6.068818020e+00</a3><a4>9.744122600e-03</a4><a5>-1.275310131e-05</a5><a6>8.552386720e-09</a6><a7>-2.231582700e-12</a7><b1>1.330447798e+04</b1><b2>-4.533535456e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>8.849393710e+05</a1><a2>-3.526969730e+03</a2><a3>1.186372153e+01</a3><a4>-5.002376120e-04</a4><a5>6.133860400e-08</a5><a6>-1.885433405e-12</a6><a7>-1.234221421e-16</a7><b1>3.071136475e+04</b1><b2>-4.088905858e+01</b2></T_range></specie><specie inp_file_name="CHCl2Br"><identification><InChIKey>FMWLUWPQPKEARP-UHFFFAOYSA-N</InChIKey><canonical_smiles>C(Cl)(Cl)Br</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>bromo(dichloro)methane</IUPAC_name></identification><comment>Gurvich,1991 pt1 p172 pt2 p154.</comment><reference>tpis91</reference><elements><element C="1" /><element H="1" /><element Cl="2" /><element Br="1" /></elements><condensed>False</condensed><molecular_weight>0.16382864</molecular_weight><hf298.15>-45000.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>3.294022650e+04</a1><a2>-3.275301170e+02</a2><a3>3.773235240e+00</a3><a4>2.536466143e-02</a4><a5>-3.472666990e-05</a5><a6>2.404666618e-08</a6><a7>-6.621730930e-12</a7><b1>-5.425565080e+03</b1><b2>9.433412004e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>5.924876440e+05</a1><a2>-3.509475610e+03</a2><a3>1.499349593e+01</a3><a4>-6.433062570e-04</a4><a5>1.198581809e-07</a5><a6>-1.198476716e-11</a6><a7>4.969948070e-16</a7><b1>1.197251405e+04</b1><b2>-5.602687781e+01</b2></T_range></specie><specie inp_file_name="CHCl3"><identification><InChIKey>HEDRZPFGACZZDS-UHFFFAOYSA-N</InChIKey><canonical_smiles>C(Cl)(Cl)Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>chloroform</IUPAC_name></identification><comment>Gurvich,1991 pt1 p127 pt2 p98.</comment><reference>g 7/99</reference><elements><element C="1" /><element H="1" /><element Cl="3" /></elements><condensed>False</condensed><molecular_weight>0.11937764</molecular_weight><hf298.15>-102700.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>3.395333290e+04</a1><a2>-3.047428785e+02</a2><a3>2.923672263e+00</a3><a4>2.830547858e-02</a4><a5>-3.712424690e-05</a5><a6>2.551365915e-08</a6><a7>-6.987659550e-12</a7><b1>-1.235063157e+04</b1><b2>1.115556408e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>6.136052740e+05</a1><a2>-3.715087170e+03</a2><a3>1.510777247e+01</a3><a4>2.362584336e-04</a4><a5>1.297140438e-07</a5><a6>-1.267494791e-11</a6><a7>5.259022310e-16</a7><b1>6.203313450e+03</b1><b2>-5.992576539e+01</b2></T_range></specie><specie inp_file_name="CHF"><identification><InChIKey>YUCFVHQCAFKDQG-UHFFFAOYSA-N</InChIKey><canonical_smiles>[CH]F</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>fluoromethane</IUPAC_name></identification><comment>Hf:TRC(6/88) w695. Jacox,1998.</comment><reference>g 8/99</reference><elements><element C="1" /><element H="1" /><element F="1" /></elements><condensed>False</condensed><molecular_weight>0.032017043200000005</molecular_weight><hf298.15>108800.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-7.868585830e+04</a1><a2>1.300218466e+03</a2><a3>-3.947685250e+00</a3><a4>2.114995848e-02</a4><a5>-2.239962738e-05</a5><a6>1.283155181e-08</a6><a7>-2.904778136e-12</a7><b1>5.824389720e+03</b1><b2>4.785453770e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>3.994085420e+06</a1><a2>-7.962756200e+03</a2><a3>6.755595090e+00</a3><a4>4.949836570e-03</a4><a5>-2.101763812e-06</a5><a6>3.348232950e-10</a6><a7>-1.886825050e-14</a7><b1>6.706134940e+04</b1><b2>-2.381240379e+01</b2></T_range></specie><specie inp_file_name="CHFBr2"><identification><InChIKey>LTUTVFXOEGMHMP-UHFFFAOYSA-N</InChIKey><canonical_smiles>C(F)(Br)Br</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dibromo(fluoro)methane</IUPAC_name></identification><comment>Gurvich,1991 pt1 p168 pt2 p149.</comment><reference>tpis91</reference><elements><element C="1" /><element H="1" /><element F="1" /><element Br="2" /></elements><condensed>False</condensed><molecular_weight>0.19182504320000002</molecular_weight><hf298.15>-175000.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.820197980e+04</a1><a2>4.362249670e+02</a2><a3>-3.733854170e-01</a3><a4>3.388631400e-02</a4><a5>-4.371298530e-05</a5><a6>2.889569295e-08</a6><a7>-7.683915110e-12</a7><b1>-2.465611586e+04</b1><b2>3.320478790e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>5.935751630e+05</a1><a2>-3.742656580e+03</a2><a3>1.517184031e+01</a3><a4>-7.158039030e-04</a4><a5>1.360636972e-07</a5><a6>-1.385897355e-11</a6><a7>5.844209110e-16</a7><b1>-2.347676027e+03</b1><b2>-5.765783430e+01</b2></T_range></specie><specie inp_file_name="CHFCl"><identification><InChIKey>FICFQLDYKDCJHQ-UHFFFAOYSA-N</InChIKey><canonical_smiles>[CH](F)Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>chloro(fluoro)methane</IUPAC_name></identification><comment>Gurvich,1991 pt1 p147 pt2 p121.</comment><reference>tpis91</reference><elements><element C="1" /><element H="1" /><element F="1" /><element Cl="1" /></elements><condensed>False</condensed><molecular_weight>0.06747004320000001</molecular_weight><hf298.15>-83144.704</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-7.113008510e+04</a1><a2>1.377872745e+03</a2><a3>-6.484617240e+00</a3><a4>3.890972490e-02</a4><a5>-4.800735220e-05</a5><a6>3.073300019e-08</a6><a7>-7.982853410e-12</a7><b1>-1.751793745e+04</b1><b2>6.373895867e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>6.622163580e+05</a1><a2>-3.809007980e+03</a2><a3>1.223880469e+01</a3><a4>-7.467182750e-04</a4><a5>1.434767850e-07</a5><a6>-1.475406631e-11</a6><a7>6.273780680e-16</a7><b1>1.018987746e+04</b1><b2>-4.658365563e+01</b2></T_range></specie><specie inp_file_name="CHFClBr"><identification><InChIKey>YNKZSBSRKWVMEZ-UHFFFAOYSA-N</InChIKey><canonical_smiles>C(F)(Cl)Br</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>bromo-chloro-fluoromethane</IUPAC_name></identification><comment>Gurvich,1991 pt1 p176 pt2 p159.</comment><reference>tpis91</reference><elements><element C="1" /><element H="1" /><element F="1" /><element Cl="1" /><element Br="1" /></elements><condensed>False</condensed><molecular_weight>0.1473740432</molecular_weight><hf298.15>-230000.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.959240614e+04</a1><a2>4.901723270e+02</a2><a3>-1.259408503e+00</a3><a4>3.617708470e-02</a4><a5>-4.654244960e-05</a5><a6>3.065240659e-08</a6><a7>-8.123903600e-12</a7><b1>-3.139900705e+04</b1><b2>3.710450945e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>5.800117510e+05</a1><a2>-3.823337850e+03</a2><a3>1.522809062e+01</a3><a4>-7.373906310e-04</a4><a5>1.407097155e-07</a5><a6>-1.438245319e-11</a6><a7>6.083867150e-16</a7><b1>-8.552249900e+03</b1><b2>-5.903677705e+01</b2></T_range></specie><specie inp_file_name="CHFCl2"><identification><InChIKey>UMNKXPULIDJLSU-UHFFFAOYSA-N</InChIKey><canonical_smiles>C(F)(Cl)Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dichloro(fluoro)methane</IUPAC_name></identification><comment>Hf:TRC(6/89) w7350. Gurvich,1991 pt1 p149 pt2 p124.</comment><reference>g 7/99</reference><elements><element C="1" /><element H="1" /><element F="1" /><element Cl="2" /></elements><condensed>False</condensed><molecular_weight>0.1029230432</molecular_weight><hf298.15>-284900.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.734959015e+04</a1><a2>4.924913200e+02</a2><a3>-1.854635884e+00</a3><a4>3.782786280e-02</a4><a5>-4.863343040e-05</a5><a6>3.197197630e-08</a6><a7>-8.459057990e-12</a7><b1>-3.788749270e+04</b1><b2>3.801530544e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>5.640113020e+05</a1><a2>-3.887083300e+03</a2><a3>1.527760246e+01</a3><a4>-7.576487420e-04</a4><a5>1.452498792e-07</a5><a6>-1.490796515e-11</a6><a7>6.328998500e-16</a7><b1>-1.484736185e+04</b1><b2>-6.167535516e+01</b2></T_range></specie><specie inp_file_name="CHF2"><identification><InChIKey>JNCMHMUGTWEVOZ-UHFFFAOYSA-N</InChIKey><canonical_smiles>[CH](F)F</canonical_smiles><cas_number>2670-13-5</cas_number><IUPAC_name>difluoromethane</IUPAC_name></identification><comment>TRC(6/88) tuvw6950.</comment><reference>n 6/88</reference><elements><element C="1" /><element H="1" /><element F="2" /></elements><condensed>False</condensed><molecular_weight>0.051015446400000004</molecular_weight><hf298.15>-238900.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.469690117e+05</a1><a2>2.553397313e+03</a2><a3>-1.302627630e+01</a3><a4>5.438128460e-02</a4><a5>-6.713418790e-05</a5><a6>4.287651730e-08</a6><a7>-1.110824216e-11</a7><b1>-4.179372160e+04</b1><b2>9.939930250e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>5.526806550e+05</a1><a2>-3.696009170e+03</a2><a3>1.208610573e+01</a3><a4>-6.498588100e-04</a4><a5>1.120846220e-07</a5><a6>-9.814147010e-12</a6><a7>3.349192390e-16</a7><b1>-9.437068420e+03</b1><b2>-4.704416200e+01</b2></T_range></specie><specie inp_file_name="CHF2Br"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1991 pt1 p168 pt2 p148.</comment><reference>tpis91</reference><elements><element C="1" /><element H="1" /><element F="2" /><element Br="1" /></elements><condensed>False</condensed><molecular_weight>0.1309194464</molecular_weight><hf298.15>-422000.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-7.714510160e+04</a1><a2>1.422544046e+03</a2><a3>-6.684393650e+00</a3><a4>4.738389150e-02</a4><a5>-5.830588750e-05</a5><a6>3.695720470e-08</a6><a7>-9.495485280e-12</a7><b1>-5.878500930e+04</b1><b2>6.608639090e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>5.767706840e+05</a1><a2>-4.177716080e+03</a2><a3>1.550150581e+01</a3><a4>-8.490147290e-04</a4><a5>1.657177491e-07</a5><a6>-1.727828054e-11</a6><a7>7.435627230e-16</a7><b1>-2.966147348e+04</b1><b2>-6.349380140e+01</b2></T_range></specie><specie inp_file_name="CHF2Cl"><identification><InChIKey>VOPWNXZWBYDODV-UHFFFAOYSA-N</InChIKey><canonical_smiles>C(F)(F)Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>chloro(difluoro)methane</IUPAC_name></identification><comment>Hf:TRC(6/89) w7350. Gurvich,1991 pt1 p148 pt2 p123.</comment><reference>g 7/99</reference><elements><element C="1" /><element H="1" /><element F="2" /><element Cl="1" /></elements><condensed>False</condensed><molecular_weight>0.08646844640000001</molecular_weight><hf298.15>-482800.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-7.240579410e+04</a1><a2>1.365510973e+03</a2><a3>-7.153222080e+00</a3><a4>4.854987970e-02</a4><a5>-5.948781670e-05</a5><a6>3.750966190e-08</a6><a7>-9.589524420e-12</a7><b1>-6.565932800e+04</b1><b2>6.657212230e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>5.629493730e+05</a1><a2>-4.298673050e+03</a2><a3>1.558191398e+01</a3><a4>-8.789278480e-04</a4><a5>1.720248689e-07</a5><a6>-1.797910869e-11</a6><a7>7.753391700e-16</a7><b1>-3.634067160e+04</b1><b2>-6.611261480e+01</b2></T_range></specie><specie inp_file_name="CHF3"><identification><InChIKey>XPDWGBQVDMORPB-UHFFFAOYSA-N</InChIKey><canonical_smiles>C(F)(F)F</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>fluoroform</IUPAC_name></identification><comment>Hf:TRC(12/89) w6880. Gurvich,1991 pt1 p97 pt2 p72.</comment><reference>g 8/99</reference><elements><element C="1" /><element H="1" /><element F="3" /></elements><condensed>False</condensed><molecular_weight>0.0700138496</molecular_weight><hf298.15>-693300.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.095132260e+05</a1><a2>2.042273879e+03</a2><a3>-1.166213079e+01</a3><a4>5.785807770e-02</a4><a5>-6.857135060e-05</a5><a6>4.212118380e-08</a6><a7>-1.053196888e-11</a7><b1>-9.395470050e+04</b1><b2>8.935920650e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>5.685232020e+05</a1><a2>-4.728361700e+03</a2><a3>1.586728516e+01</a3><a4>-7.382348650e-04</a4><a5>1.970841706e-07</a5><a6>-2.062115571e-11</a6><a7>8.970599640e-16</a7><b1>-5.923196370e+04</b1><b2>-7.161273220e+01</b2></T_range></specie><specie inp_file_name="CHI3"><identification><InChIKey>OKJPEAGHQZHRQV-UHFFFAOYSA-N</InChIKey><canonical_smiles>C(I)(I)I</canonical_smiles><cas_number>75-47-8</cas_number><IUPAC_name>iodoform</IUPAC_name></identification><comment>Kudchadker,1975.</comment><reference>g 8/99</reference><elements><element C="1" /><element H="1" /><element I="3" /></elements><condensed>False</condensed><molecular_weight>0.39373205</molecular_weight><hf298.15>210873.600</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>5.252923590e+04</a1><a2>-7.242166470e+02</a2><a3>8.018623340e+00</a3><a4>1.470995487e-02</a4><a5>-2.163843469e-05</a5><a6>1.594571452e-08</a6><a7>-4.601437960e-12</a7><b1>2.678186915e+04</b1><b2>-8.605054840e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>6.294205430e+05</a1><a2>-3.184061570e+03</a2><a3>1.479622178e+01</a3><a4>-5.749555500e-04</a4><a5>1.062025541e-07</a5><a6>-1.052804696e-11</a6><a7>4.329720020e-16</a7><b1>4.103609800e+04</b1><b2>-4.901357390e+01</b2></T_range></specie><specie inp_file_name="CH2"><identification><InChIKey>HZVOZRGWRWCICA-UHFFFAOYSA-N</InChIKey><canonical_smiles>[CH2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>$l^{2}-carbane</IUPAC_name></identification><comment>D0(H2C-H): Ruscic,1999. Bunker,1983. Jacox,1998.</comment><reference>g 4/02</reference><elements><element C="1" /><element H="2" /></elements><condensed>False</condensed><molecular_weight>0.014026579999999999</molecular_weight><hf298.15>390364.517</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>3.218921730e+04</a1><a2>-2.877601815e+02</a2><a3>4.203583820e+00</a3><a4>3.455405960e-03</a4><a5>-6.746193340e-06</a5><a6>7.654571640e-09</a6><a7>-2.870328419e-12</a7><b1>0.000000000e+00</b1><b2>4.733624710e+04</b2><b3>-2.143628603e+00</b3></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>2.550418031e+06</a1><a2>-7.971625390e+03</a2><a3>1.228924487e+01</a3><a4>-1.699122922e-03</a4><a5>2.991728605e-07</a5><a6>-2.767007492e-11</a6><a7>1.051341740e-15</a7><b1>0.000000000e+00</b1><b2>9.642216890e+04</b2><b3>-6.094739910e+01</b3></T_range></specie><specie inp_file_name="CH2Br2"><identification><InChIKey>FJBFPHVGVWTDIP-UHFFFAOYSA-N</InChIKey><canonical_smiles>C(Br)Br</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dibromomethane</IUPAC_name></identification><comment>Kudchadker, 1975.</comment><reference>g 8/99</reference><elements><element C="1" /><element H="2" /><element Br="2" /></elements><condensed>False</condensed><molecular_weight>0.17383458</molecular_weight><hf298.15>-14770.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>4.797308010e+03</a1><a2>3.613859240e+02</a2><a3>-1.819592338e+00</a3><a4>3.477048340e-02</a4><a5>-4.498546180e-05</a5><a6>3.068623685e-08</a6><a7>-8.434846340e-12</a7><b1>-4.481497060e+03</b1><b2>3.827123590e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.528284441e+06</a1><a2>-6.673414950e+03</a2><a3>1.670213316e+01</a3><a4>-1.166351237e-03</a4><a5>2.122634493e-07</a5><a6>-2.075472240e-11</a6><a7>8.428577700e-16</a7><b1>3.600706640e+04</b1><b2>-7.448065490e+01</b2></T_range></specie><specie inp_file_name="CH2Cl"><identification><InChIKey>WBLIXGSTEMXDSM-UHFFFAOYSA-N</InChIKey><canonical_smiles>[CH2]Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>chloromethane</IUPAC_name></identification><comment>Hf:TRC(12/93) w7270. Gurvich,1991 pt1 p122. Jacox,1998.</comment><reference>g12/99</reference><elements><element C="1" /><element H="2" /><element Cl="1" /></elements><condensed>False</condensed><molecular_weight>0.049479579999999995</molecular_weight><hf298.15>119200.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-3.188585630e+04</a1><a2>6.333163210e+02</a2><a3>-1.164065495e+00</a3><a4>2.160586080e-02</a4><a5>-2.545462163e-05</a5><a6>1.693887757e-08</a6><a7>-4.660078600e-12</a7><b1>1.020142540e+04</b1><b2>3.230835289e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.662438334e+06</a1><a2>-6.441125720e+03</a2><a3>1.359753722e+01</a3><a4>-1.140536810e-03</a4><a5>2.087760159e-07</a5><a6>-2.052347186e-11</a6><a7>8.375772270e-16</a7><b1>5.212906120e+04</b1><b2>-6.148586271e+01</b2></T_range></specie><specie inp_file_name="CH2ClBr"><identification><InChIKey>JPOXNPPZZKNXOV-UHFFFAOYSA-N</InChIKey><canonical_smiles>C(Cl)Br</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>bromo(chloro)methane</IUPAC_name></identification><comment>Gurvich,1991 pt1 p171 pt2 p153.</comment><reference>tpis91</reference><elements><element C="1" /><element H="2" /><element Cl="1" /><element Br="1" /></elements><condensed>False</condensed><molecular_weight>0.12938358</molecular_weight><hf298.15>-45000.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.307948755e+04</a1><a2>6.455860380e+02</a2><a3>-3.577349910e+00</a3><a4>3.833687230e-02</a4><a5>-4.864252050e-05</a5><a6>3.261622330e-08</a6><a7>-8.852877390e-12</a7><b1>-9.402272530e+03</b1><b2>4.748806758e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.525016309e+06</a1><a2>-6.823334160e+03</a2><a3>1.682769102e+01</a3><a4>-1.219735119e-03</a4><a5>2.244964495e-07</a5><a6>-2.219063248e-11</a6><a7>9.104705130e-16</a7><b1>3.320239920e+04</b1><b2>-7.637571062e+01</b2></T_range></specie><specie inp_file_name="CH2Cl2"><identification><InChIKey>YMWUJEATGCHHMB-UHFFFAOYSA-N</InChIKey><canonical_smiles>C(Cl)Cl</canonical_smiles><cas_number>75-09-2</cas_number><IUPAC_name>dichloromethane</IUPAC_name></identification><comment>Gurvich,1991 pt1 p125 pt2 p97.</comment><reference>tpis91</reference><elements><element C="1" /><element H="2" /><element Cl="2" /></elements><condensed>False</condensed><molecular_weight>0.08493258000000001</molecular_weight><hf298.15>-95000.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-2.509841179e+04</a1><a2>8.687667380e+02</a2><a3>-5.094669210e+00</a3><a4>4.150049990e-02</a4><a5>-5.199772150e-05</a5><a6>3.445944260e-08</a6><a7>-9.270292520e-12</a7><b1>-1.638978840e+04</b1><b2>5.396890320e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.529279337e+06</a1><a2>-6.976954760e+03</a2><a3>1.694154931e+01</a3><a4>-1.265053995e-03</a4><a5>2.344766734e-07</a5><a6>-2.333227421e-11</a6><a7>9.632834730e-16</a7><b1>2.806318171e+04</b1><b2>-7.949453510e+01</b2></T_range></specie><specie inp_file_name="CH2F"><identification><InChIKey>VUWZPRWSIVNGKG-UHFFFAOYSA-N</InChIKey><canonical_smiles>[CH2]F</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>fluoromethane</IUPAC_name></identification><comment>TRC(6/88) tuvw6950.</comment><reference>n 6/88</reference><elements><element C="1" /><element H="2" /><element F="1" /></elements><condensed>False</condensed><molecular_weight>0.033024983200000003</molecular_weight><hf298.15>-31800.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-8.569712530e+04</a1><a2>1.392226749e+03</a2><a3>-4.382052590e+00</a3><a4>2.645916948e-02</a4><a5>-2.848145663e-05</a5><a6>1.732706028e-08</a6><a7>-4.442061440e-12</a7><b1>-1.169444586e+04</b1><b2>5.049499200e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>2.535399502e+06</a1><a2>-9.358439020e+03</a2><a3>1.700366206e+01</a3><a4>-3.062919929e-03</a4><a5>7.612869080e-07</a5><a6>-9.664554980e-11</a6><a7>4.844768100e-15</a7><b1>5.228391310e+04</b1><b2>-8.707551570e+01</b2></T_range></specie><specie inp_file_name="CH2FBr"><identification><InChIKey>LHMHCLYDBQOYTO-UHFFFAOYSA-N</InChIKey><canonical_smiles>C(F)Br</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>bromo(fluoro)methane</IUPAC_name></identification><comment>Gurvich,1991 pt1 p167 pt2 p147.</comment><reference>tpis91</reference><elements><element C="1" /><element H="2" /><element F="1" /><element Br="1" /></elements><condensed>False</condensed><molecular_weight>0.1129289832</molecular_weight><hf298.15>-215000.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-9.256109530e+04</a1><a2>1.811985865e+03</a2><a3>-9.698346870e+00</a3><a4>5.035848670e-02</a4><a5>-6.070272680e-05</a5><a6>3.878250800e-08</a6><a7>-1.012615992e-11</a7><b1>-3.537509620e+04</b1><b2>8.140396050e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.539975462e+06</a1><a2>-7.231551360e+03</a2><a3>1.714566439e+01</a3><a4>-1.350184394e-03</a4><a5>2.538022824e-07</a5><a6>-2.558977386e-11</a6><a7>1.069310946e-15</a7><b1>1.509604224e+04</b1><b2>-8.062053710e+01</b2></T_range></specie><specie inp_file_name="CH2FCl"><identification><InChIKey>XWCDCDSDNJVCLO-UHFFFAOYSA-N</InChIKey><canonical_smiles>C(F)Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>chloro(fluoro)methane</IUPAC_name></identification><comment>Hf:TRC(6/89) w7350. Gurvich,1991 pt1 p147 pt2 p122.</comment><reference>g 7/99</reference><elements><element C="1" /><element H="2" /><element F="1" /><element Cl="1" /></elements><condensed>False</condensed><molecular_weight>0.0684779832</molecular_weight><hf298.15>-265700.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.071340332e+05</a1><a2>2.081328396e+03</a2><a3>-1.155723697e+01</a3><a4>5.441482110e-02</a4><a5>-6.518622740e-05</a5><a6>4.133159880e-08</a6><a7>-1.071935103e-11</a7><b1>-4.264756210e+04</b1><b2>9.035923547e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.536120418e+06</a1><a2>-7.378939730e+03</a2><a3>1.725797178e+01</a3><a4>-1.395645457e-03</a4><a5>2.639247747e-07</a5><a6>-2.675653563e-11</a6><a7>1.123582778e-15</a7><b1>9.813710460e+03</b1><b2>-8.313642553e+01</b2></T_range></specie><specie inp_file_name="CH2F2"><identification><InChIKey>RWRIWBAIICGTTQ-UHFFFAOYSA-N</InChIKey><canonical_smiles>C(F)F</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>difluoromethane</IUPAC_name></identification><comment>Hf:TRC(12/89) w6880. Gurvich,1991 pt1 p96 pt2 p71.</comment><reference>g 8/99</reference><elements><element C="1" /><element H="2" /><element F="2" /></elements><condensed>False</condensed><molecular_weight>0.052023386399999996</molecular_weight><hf298.15>-452300.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.819917500e+05</a1><a2>3.174427890e+03</a2><a3>-1.714256906e+01</a3><a4>6.411353830e-02</a4><a5>-7.313592120e-05</a5><a6>4.426384160e-08</a6><a7>-1.103877216e-11</a7><b1>-7.027058950e+04</b1><b2>1.207331926e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.546609496e+06</a1><a2>-7.876883330e+03</a2><a3>1.768770469e+01</a3><a4>-1.581298721e-03</a4><a5>3.068917255e-07</a5><a6>-3.183405460e-11</a6><a7>1.363827177e-15</a7><b1>-9.800135960e+03</b1><b2>-8.907420360e+01</b2></T_range></specie><specie inp_file_name="CH2I2"><identification><InChIKey>NZZFYRREKKOMAT-UHFFFAOYSA-N</InChIKey><canonical_smiles>C(I)I</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>diiodomethane</IUPAC_name></identification><comment>Kudchadker,1975. Kudchadker,1976.</comment><reference>g 8/99</reference><elements><element C="1" /><element H="2" /><element I="2" /></elements><condensed>False</condensed><molecular_weight>0.26783552</molecular_weight><hf298.15>117570.400</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>2.738133757e+04</a1><a2>-8.972568040e+01</a2><a3>1.387869408e+00</a3><a4>2.733482611e-02</a4><a5>-3.619408770e-05</a5><a6>2.539187610e-08</a6><a7>-7.145585160e-12</a7><b1>1.338767276e+04</b1><b2>2.241870165e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.512892716e+06</a1><a2>-6.442912400e+03</a2><a3>1.659026137e+01</a3><a4>-1.135551520e-03</a4><a5>2.073750250e-07</a5><a6>-2.033902231e-11</a6><a7>8.282283700e-16</a7><b1>5.058219030e+04</b1><b2>-7.125235140e+01</b2></T_range></specie><specie inp_file_name="CH3"><identification><InChIKey>JUHDUIDUEUEQND-UHFFFAOYSA-N</InChIKey><canonical_smiles>[CH3+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>carbanylium</IUPAC_name></identification><comment>D0(H3C-H): Ruscic,1999. Jacox,1998.</comment><reference>g 4/02</reference><elements><element C="1" /><element H="3" /></elements><condensed>False</condensed><molecular_weight>0.015034520000000001</molecular_weight><hf298.15>146658.040</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-2.876188806e+04</a1><a2>5.093268660e+02</a2><a3>2.002143949e-01</a3><a4>1.363605829e-02</a4><a5>-1.433989346e-05</a5><a6>1.013556725e-08</a6><a7>-3.027331936e-12</a7><b1>0.000000000e+00</b1><b2>1.408271825e+04</b2><b3>2.022772791e+01</b3></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>2.760802663e+06</a1><a2>-9.336531170e+03</a2><a3>1.487729606e+01</a3><a4>-1.439429774e-03</a4><a5>2.444477951e-07</a5><a6>-2.224555778e-11</a6><a7>8.395065760e-16</a7><b1>0.000000000e+00</b1><b2>7.481809480e+04</b2><b3>-7.919682400e+01</b3></T_range></specie><specie inp_file_name="CH3Br"><identification><InChIKey>GZUXJHMPEANEGY-UHFFFAOYSA-N</InChIKey><canonical_smiles>CBr</canonical_smiles><cas_number>74-83-9</cas_number><IUPAC_name>bromomethane</IUPAC_name></identification><comment>Kudchadker,1975.</comment><reference>g 8/99</reference><elements><element C="1" /><element H="3" /><element Br="1" /></elements><condensed>False</condensed><molecular_weight>0.09493852</molecular_weight><hf298.15>-37740.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-7.115585770e+04</a1><a2>1.524705928e+03</a2><a3>-8.230445210e+00</a3><a4>4.239973210e-02</a4><a5>-4.946979890e-05</a5><a6>3.194433340e-08</a6><a7>-8.531237080e-12</a7><b1>-1.251753591e+04</b1><b2>7.048127770e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>2.524874348e+06</a1><a2>-1.011876098e+04</a2><a3>1.865902163e+01</a3><a4>-1.797673690e-03</a4><a5>3.298520110e-07</a5><a6>-3.250912030e-11</a6><a7>1.330179925e-15</a7><b1>5.540576390e+04</b1><b2>-9.778664460e+01</b2></T_range></specie><specie inp_file_name="CH3Cl"><identification><InChIKey>NEHMKBQYUWJMIP-UHFFFAOYSA-N</InChIKey><canonical_smiles>CCl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>chloromethane</IUPAC_name></identification><comment>Gurvich,1991 pt1 p122 pt2 p95.</comment><reference>tpis91</reference><elements><element C="1" /><element H="3" /><element Cl="1" /></elements><condensed>False</condensed><molecular_weight>0.05048752</molecular_weight><hf298.15>-81870.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-9.841971100e+04</a1><a2>1.983700841e+03</a2><a3>-1.084512305e+01</a3><a4>4.777980050e-02</a4><a5>-5.515516260e-05</a5><a6>3.506176140e-08</a6><a7>-9.236103960e-12</a7><b1>-1.994689506e+04</b1><b2>8.399658331e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>2.522463305e+06</a1><a2>-1.030115447e+04</a2><a3>1.882725852e+01</a3><a4>-1.872291294e-03</a4><a5>3.473372860e-07</a5><a6>-3.458887220e-11</a6><a7>1.428941079e-15</a7><b1>5.111417410e+04</b1><b2>-1.006571389e+02</b2></T_range></specie><specie inp_file_name="CH3F"><identification><InChIKey>NBVXSUQYWXRMNV-UHFFFAOYSA-N</InChIKey><canonical_smiles>CF</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>fluoromethane</IUPAC_name></identification><comment>Hf:TRC(12/89) w6880. Gurvich,1991 pt1 p93 pt2 p69.</comment><reference>g 8/99</reference><elements><element C="1" /><element H="3" /><element F="1" /></elements><condensed>False</condensed><molecular_weight>0.0340329232</molecular_weight><hf298.15>-237700.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-2.029821878e+05</a1><a2>3.447331130e+03</a2><a3>-1.768994275e+01</a3><a4>5.945275800e-02</a4><a5>-6.469528250e-05</a5><a6>3.859418040e-08</a6><a7>-9.626541530e-12</a7><b1>-4.577926220e+04</b1><b2>1.228382176e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>2.561903188e+06</a1><a2>-1.086052758e+04</a2><a3>1.929446920e+01</a3><a4>-2.070973131e-03</a4><a5>3.929124530e-07</a5><a6>-3.994503420e-11</a6><a7>1.681447081e-15</a7><b1>3.563508510e+04</b1><b2>-1.061158456e+02</b2></T_range></specie><specie inp_file_name="CH3I"><identification><InChIKey>INQOMBQAUSQDDS-UHFFFAOYSA-N</InChIKey><canonical_smiles>CI</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>iodomethane</IUPAC_name></identification><comment>Kudchadker,1975.</comment><reference>g 8/99</reference><elements><element C="1" /><element H="3" /><element I="1" /></elements><condensed>False</condensed><molecular_weight>0.14193899</molecular_weight><hf298.15>13765.360</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-4.516462740e+04</a1><a2>1.086208429e+03</a2><a3>-5.663176270e+00</a3><a4>3.683171710e-02</a4><a5>-4.321393500e-05</a5><a6>2.833483666e-08</a6><a7>-7.684383690e-12</a7><b1>-4.303830650e+03</b1><b2>5.688562690e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>2.511915982e+06</a1><a2>-9.960289990e+03</a2><a3>1.856907132e+01</a3><a4>-1.768191331e-03</a4><a5>3.242206260e-07</a5><a6>-3.192942010e-11</a6><a7>1.305407821e-15</a7><b1>6.066929950e+04</b1><b2>-9.590777040e+01</b2></T_range></specie><specie inp_file_name="CH2OH"><identification><InChIKey>CBOIHMRHGLHBPB-UHFFFAOYSA-N</InChIKey><canonical_smiles>[CH2]O</canonical_smiles><cas_number>2597-43-5</cas_number><IUPAC_name>methanol</IUPAC_name></identification><comment>Hydroxymethyl Radical. Johnson,1996.</comment><reference>g11/00</reference><elements><element C="1" /><element H="3" /><element O="1" /></elements><condensed>False</condensed><molecular_weight>0.03103392</molecular_weight><hf298.15>-17800.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.560076238e+05</a1><a2>2.685446279e+03</a2><a3>-1.342022420e+01</a3><a4>5.757139470e-02</a4><a5>-7.284449990e-05</a5><a6>4.836648860e-08</a6><a7>-1.293492601e-11</a7><b1>-1.596820410e+04</b1><b2>9.963033700e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>2.250349506e+06</a1><a2>-8.173186060e+03</a2><a3>1.599639179e+01</a3><a4>-8.704133720e-04</a4><a5>6.069183950e-08</a5><a6>4.408349460e-12</a6><a7>-5.702309500e-16</a7><b1>4.645313430e+04</b1><b2>-7.835158450e+01</b2></T_range></specie><specie inp_file_name="CH2OH+"><identification><InChIKey>NRCYHMDIJIIHBJ-UHFFFAOYSA-N</InChIKey><canonical_smiles>[CH2+]O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>methanol</IUPAC_name></identification><comment>Hydroxymethyl Cation. Johnson,1996.</comment><reference>g11/00</reference><elements><element C="1" /><element H="3" /><element O="1" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.0310333714</molecular_weight><hf298.15>716400.000</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>-1.077080841e+05</a1><a2>2.252082711e+03</a2><a3>-1.188167865e+01</a3><a4>4.602316960e-02</a4><a5>-4.879736880e-05</a5><a6>2.876413471e-08</a6><a7>-7.100226500e-12</a7><b1>7.484447770e+04</b1><b2>9.027928570e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>2.603333487e+06</a1><a2>-1.009953810e+04</a2><a3>1.730843898e+01</a3><a4>-6.946390320e-04</a4><a5>3.009715083e-08</a5><a6>5.221485980e-12</a6><a7>-5.090183790e-16</a7><b1>1.465402426e+05</b1><b2>-9.223955280e+01</b2></T_range></specie><specie inp_file_name="CH3O"><identification><InChIKey>GRVDJDISBSALJP-UHFFFAOYSA-N</InChIKey><canonical_smiles>C[O]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>$l^{1}-oxidanylmethane</IUPAC_name></identification><comment>Hf:Gurvich,1991 pt1 p67. Jacox,1998 p271.</comment><reference>g 7/00</reference><elements><element C="1" /><element H="3" /><element O="1" /></elements><condensed>False</condensed><molecular_weight>0.03103392</molecular_weight><hf298.15>13000.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>8.657117660e+04</a1><a2>-6.631685250e+02</a2><a3>2.257455672e+00</a3><a4>2.266283789e-02</a4><a5>-2.970566403e-05</a5><a6>2.199341353e-08</a6><a7>-6.588043380e-12</a7><b1>4.174102130e+03</b1><b2>8.174777900e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>2.101188243e+06</a1><a2>-8.841968800e+03</a2><a3>1.822645731e+01</a3><a4>-1.743485034e-03</a4><a5>3.340434270e-07</a5><a6>-3.430673160e-11</a6><a7>1.473897771e-15</a7><b1>5.309582060e+04</b1><b2>-9.422500590e+01</b2></T_range></specie><specie inp_file_name="CH4"><identification><InChIKey>VNWKTOKETHGBQD-UHFFFAOYSA-N</InChIKey><canonical_smiles>C</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>methane</IUPAC_name></identification><comment>Gurvich,1991 pt1 p44 pt2 p36.</comment><reference>g 8/99</reference><elements><element C="1" /><element H="4" /></elements><condensed>False</condensed><molecular_weight>0.016042459999999998</molecular_weight><hf298.15>-74600.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.766850998e+05</a1><a2>2.786181020e+03</a2><a3>-1.202577850e+01</a3><a4>3.917619290e-02</a4><a5>-3.619054430e-05</a5><a6>2.026853043e-08</a6><a7>-4.976705490e-12</a7><b1>-2.331314360e+04</b1><b2>8.904322750e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>3.730042760e+06</a1><a2>-1.383501485e+04</a2><a3>2.049107091e+01</a3><a4>-1.961974759e-03</a4><a5>4.727313040e-07</a5><a6>-3.728814690e-11</a6><a7>1.623737207e-15</a7><b1>7.532066910e+04</b1><b2>-1.219124889e+02</b2></T_range></specie><specie inp_file_name="CH3OH"><identification><InChIKey>OKKJLVBELUTLKV-UHFFFAOYSA-N</InChIKey><canonical_smiles>CO</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>methanol</IUPAC_name></identification><comment>Hf:TRC(6/87) w5030. Chen,1977.</comment><reference>g 7/00</reference><elements><element C="1" /><element H="4" /><element O="1" /></elements><condensed>False</condensed><molecular_weight>0.03204186</molecular_weight><hf298.15>-200940.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-2.416642886e+05</a1><a2>4.032147190e+03</a2><a3>-2.046415436e+01</a3><a4>6.903698070e-02</a4><a5>-7.598932690e-05</a5><a6>4.598208360e-08</a6><a7>-1.158706744e-11</a7><b1>-4.433261170e+04</b1><b2>1.400142190e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>3.411570760e+06</a1><a2>-1.345500201e+04</a2><a3>2.261407623e+01</a3><a4>-2.141029179e-03</a4><a5>3.730050540e-07</a5><a6>-3.498846390e-11</a6><a7>1.366073444e-15</a7><b1>5.636081560e+04</b1><b2>-1.277814279e+02</b2></T_range></specie><specie inp_file_name="CH3OOH"><identification><InChIKey>MEUKEBNAABNAEX-UHFFFAOYSA-N</InChIKey><canonical_smiles>COO</canonical_smiles><cas_number>3031-73-0</cas_number><IUPAC_name>hydroperoxymethane</IUPAC_name></identification><comment>Methyl Hydroperoxide, CH3-O-O-H. Dorofeeva,2001.</comment><reference>srd 01</reference><elements><element C="1" /><element H="4" /><element O="2" /></elements><condensed>False</condensed><molecular_weight>0.04804126</molecular_weight><hf298.15>-139000.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.497974156e+05</a1><a2>2.656222273e+03</a2><a3>-1.377060625e+01</a3><a4>6.588673830e-02</a4><a5>-7.751801650e-05</a5><a6>4.968800700e-08</a6><a7>-1.314367640e-11</a7><b1>0.000000000e+00</b1><b2>-3.058414201e+04</b2><b3>1.031696850e+02</b3></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>3.060740610e+06</a1><a2>-1.282959627e+04</a2><a3>2.541021168e+01</a3><a4>-2.394481095e-03</a4><a5>4.443429910e-07</a5><a6>-4.416659500e-11</a6><a7>1.819673372e-15</a7><b1>0.000000000e+00</b1><b2>5.837492360e+04</b2><b3>-1.387713096e+02</b3></T_range></specie><specie inp_file_name="CI"><identification><InChIKey>CEHIMDGPCHZXPK-UHFFFAOYSA-N</InChIKey><canonical_smiles>[C-]I</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>iodomethane</IUPAC_name></identification><comment>Gurvich,1991 pt1 p176 pt2 p160.</comment><reference>tpis91</reference><elements><element C="1" /><element I="1" /></elements><condensed>False</condensed><molecular_weight>0.13891516999999998</molecular_weight><hf298.15>570200.814</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.043011064e+05</a1><a2>-1.715427168e+03</a2><a3>1.288874952e+01</a3><a4>-1.828504834e-02</a4><a5>2.135468356e-05</a5><a6>-1.286980869e-08</a6><a7>3.167047660e-12</a7><b1>7.550784700e+04</b1><b2>-4.496811320e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.408229894e+05</a1><a2>3.447387040e+02</a2><a3>4.976968700e+00</a3><a4>-8.444815390e-04</a4><a5>5.061239720e-07</a5><a6>-1.047700525e-10</a6><a7>6.740843140e-15</a7><b1>6.451342020e+04</b1><b2>1.090913159e+00</b2></T_range></specie><specie inp_file_name="CI2"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1991 pt1 p178 pt2 p161.</comment><reference>tpis91</reference><elements><element C="1" /><element I="2" /></elements><condensed>False</condensed><molecular_weight>0.26581963999999997</molecular_weight><hf298.15>468393.633</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>6.028289810e+04</a1><a2>-1.043205435e+03</a2><a3>1.017465942e+01</a3><a4>-5.535671710e-03</a4><a5>5.630319010e-06</a5><a6>-3.108249657e-09</a6><a7>7.202469560e-13</a7><b1>5.964896550e+04</b1><b2>-2.310319208e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-7.028655530e+05</a1><a2>3.082750393e+02</a2><a3>9.046427050e+00</a3><a4>-2.946736644e-03</a4><a5>1.424347233e-06</a5><a6>-2.453183410e-10</a6><a7>1.425270291e-14</a7><b1>5.021134210e+04</b1><b2>-1.560349377e+01</b2></T_range></specie><specie inp_file_name="CI3"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1991 pt1 p178 pt2 p162.</comment><reference>g 9/99</reference><elements><element C="1" /><element I="3" /></elements><condensed>False</condensed><molecular_weight>0.39272411</molecular_weight><hf298.15>405983.951</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>8.596784250e+04</a1><a2>-1.347703793e+03</a2><a3>1.272103659e+01</a3><a4>-2.442876357e-03</a4><a5>2.511609978e-07</a5><a6>1.024658583e-09</a6><a7>-4.872692960e-13</a7><b1>5.310716510e+04</b1><b2>-3.238492900e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.536511918e+05</a1><a2>-8.357044370e+01</a2><a3>1.006203125e+01</a3><a4>-2.466447336e-05</a4><a5>5.419054750e-09</a5><a6>-6.181417000e-13</a6><a7>2.851262022e-17</a7><b1>4.582589530e+04</b1><b2>-1.494825345e+01</b2></T_range></specie><specie inp_file_name="CI4"><identification><InChIKey>JOHCVVJGGSABQY-UHFFFAOYSA-N</InChIKey><canonical_smiles>C(I)(I)(I)I</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>tetraiodomethane</IUPAC_name></identification><comment>Kudchadker,1975. Kudchadker,1976.</comment><reference>g 8/99</reference><elements><element C="1" /><element I="4" /></elements><condensed>False</condensed><molecular_weight>0.51962858</molecular_weight><hf298.15>267943.360</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>8.919043870e+04</a1><a2>-1.651906475e+03</a2><a3>1.796124325e+01</a3><a4>-8.518114250e-03</a4><a5>8.508682250e-06</a5><a6>-4.599097730e-09</a6><a7>1.039492403e-12</a7><b1>3.689392150e+04</b1><b2>-5.805953120e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.446762770e+05</a1><a2>-5.280365170e+01</a2><a3>1.303985589e+01</a3><a4>-1.606214814e-05</a4><a5>3.567550470e-09</a5><a6>-4.105366980e-13</a6><a7>1.907272766e-17</a7><b1>2.817746618e+04</b1><b2>-2.810414436e+01</b2></T_range></specie><specie inp_file_name="CN"><identification><InChIKey>XFXPMWWXUTWYJX-UHFFFAOYSA-N</InChIKey><canonical_smiles>[C-]#N</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>cyanide</IUPAC_name></identification><comment>Hf: Huang,1992. Gurvich,1979 pt1 p212 pt2 p210.</comment><reference>g 8/99</reference><elements><element C="1" /><element N="1" /></elements><condensed>False</condensed><molecular_weight>0.0260174</molecular_weight><hf298.15>438683.552</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>3.949148570e+03</a1><a2>-1.391590572e+02</a2><a3>4.930835320e+00</a3><a4>-6.304670510e-03</a4><a5>1.256836472e-05</a5><a6>-9.878300500e-09</a6><a7>2.843137221e-12</a7><b1>5.228455380e+04</b1><b2>-2.763115585e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.228006270e+06</a1><a2>5.040733390e+03</a2><a3>-2.121897722e-01</a3><a4>1.354901134e-03</a4><a5>1.325929798e-07</a5><a6>-6.937006370e-11</a6><a7>5.494952270e-15</a7><b1>1.784496132e+04</b1><b2>3.282563919e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>-1.794798118e+08</a1><a2>1.054346069e+05</a2><a3>-1.729624170e+01</a3><a4>2.194895530e-03</a4><a5>-8.508938030e-08</a5><a6>9.318692990e-13</a6><a7>6.358139930e-18</a7><b1>-7.962594120e+05</b1><b2>1.913139639e+02</b2></T_range></specie><specie inp_file_name="CN+"><identification><InChIKey>XFXPMWWXUTWYJX-UHFFFAOYSA-N</InChIKey><canonical_smiles>[C-]#N</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>cyanide</IUPAC_name></identification><comment>Gurvich,1991 pt1 p215 pt2 p203.</comment><reference>tpis91</reference><elements><element C="1" /><element N="1" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.0260168514</molecular_weight><hf298.15>1798890.904</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>-8.302909570e+05</a1><a2>8.775687500e+03</a2><a3>-2.977443560e+01</a3><a4>4.976897060e-02</a4><a5>-1.302225951e-05</a5><a6>-2.058325353e-08</a6><a7>1.126843895e-11</a7><b1>1.703860539e+05</b1><b2>2.039918818e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-7.153463080e+06</a1><a2>1.857250421e+04</a2><a3>-1.084534159e+01</a3><a4>6.106681430e-03</a4><a5>-1.191208566e-06</a5><a6>1.184848778e-10</a6><a7>-4.799838730e-15</a7><b1>9.242644960e+04</b1><b2>1.135340573e+02</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>-2.354919695e+08</a1><a2>1.433776703e+05</a2><a3>-2.975360271e+01</a3><a4>4.280545600e-03</a4><a5>-2.707260413e-07</a5><a6>8.178340660e-12</a6><a7>-9.629506200e-17</a7><b1>-9.229047140e+05</b1><b2>2.964624987e+02</b2></T_range></specie><specie inp_file_name="CN-"><identification><InChIKey>XFXPMWWXUTWYJX-UHFFFAOYSA-N</InChIKey><canonical_smiles>[C-]#N</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>cyanide</IUPAC_name></identification><comment>Gurvich,1991 pt1 p218 pt2 p205.</comment><reference>tpis91</reference><elements><element C="1" /><element N="1" /><element E="1" /></elements><condensed>False</condensed><molecular_weight>0.0260179486</molecular_weight><hf298.15>63885.104</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>-4.606541390e+04</a1><a2>4.294174750e+02</a2><a3>2.328781880e+00</a3><a4>-1.235303004e-04</a4><a5>4.478462770e-06</a5><a6>-4.403151290e-09</a6><a7>1.349001191e-12</a7><b1>4.362078340e+03</b1><b2>1.142928617e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>3.517964720e+05</a1><a2>-1.630477359e+03</a2><a3>5.609875750e+00</a3><a4>-3.975605970e-04</a4><a5>8.856147080e-08</a5><a6>-9.722872320e-12</a6><a7>4.434205690e-16</a7><b1>1.647976581e+04</b1><b2>-1.175502699e+01</b2></T_range></specie><specie inp_file_name="CNN"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1991 pt1 p220 pt2 p208. Jacox,1994.</comment><reference>g12/99</reference><elements><element C="1" /><element N="2" /></elements><condensed>False</condensed><molecular_weight>0.0400241</molecular_weight><hf298.15>633484.056</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-7.357692360e+04</a1><a2>9.652438660e+02</a2><a3>-1.704121157e+00</a3><a4>2.037239025e-02</a4><a5>-2.183423906e-05</a5><a6>1.176082777e-08</a6><a7>-2.551355221e-12</a7><b1>7.021729830e+04</b1><b2>3.528150910e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.817148765e+05</a1><a2>-6.729863490e+02</a2><a3>7.857948340e+00</a3><a4>-6.136880720e-05</a4><a5>-1.088178985e-08</a5><a6>4.456655810e-12</a6><a7>-2.836496278e-16</a7><b1>7.723488980e+04</b1><b2>-1.966012324e+01</b2></T_range></specie><specie inp_file_name="CO"><identification><InChIKey>UGFAIRIUMAVXCW-UHFFFAOYSA-N</InChIKey><canonical_smiles>[C-]#[O+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>carbon monoxide</IUPAC_name></identification><comment>Gurvich,1979 pt1 p25 pt2 p29.</comment><reference>tpis79</reference><elements><element C="1" /><element O="1" /></elements><condensed>False</condensed><molecular_weight>0.028010100000000003</molecular_weight><hf298.15>-110535.196</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.489045326e+04</a1><a2>-2.922285939e+02</a2><a3>5.724527170e+00</a3><a4>-8.176235030e-03</a4><a5>1.456903469e-05</a5><a6>-1.087746302e-08</a6><a7>3.027941827e-12</a7><b1>-1.303131878e+04</b1><b2>-7.859241350e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>4.619197250e+05</a1><a2>-1.944704863e+03</a2><a3>5.916714180e+00</a3><a4>-5.664282830e-04</a4><a5>1.398814540e-07</a5><a6>-1.787680361e-11</a6><a7>9.620935570e-16</a7><b1>-2.466261084e+03</b1><b2>-1.387413108e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>8.868662960e+08</a1><a2>-7.500377840e+05</a2><a3>2.495474979e+02</a3><a4>-3.956351100e-02</a4><a5>3.297772080e-06</a5><a6>-1.318409933e-10</a6><a7>1.998937948e-15</a7><b1>5.701421130e+06</b1><b2>-2.060704786e+03</b2></T_range></specie><specie inp_file_name="CO+"><identification><InChIKey>BOJPITGAFFYFJK-UHFFFAOYSA-N</InChIKey><canonical_smiles>[C]#[O+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>methylidyneoxidanium</IUPAC_name></identification><comment>Gurvich,1991 pt1 p26 pt2 p22.</comment><reference>tpis91</reference><elements><element C="1" /><element O="1" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.0280095514</molecular_weight><hf298.15>1247789.204</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>-2.178786658e+04</a1><a2>1.288857032e+02</a2><a3>3.769057550e+00</a3><a4>-3.431730130e-03</a4><a5>8.193945750e-06</a5><a6>-6.463814690e-09</a6><a7>1.803727574e-12</a7><b1>1.482345898e+05</b1><b2>3.990547070e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>2.316847506e+05</a1><a2>-1.057646148e+03</a2><a3>4.554257780e+00</a3><a4>4.495520320e-04</a4><a5>-2.489507047e-07</a5><a6>5.267566420e-11</a6><a7>-3.289510270e-15</a7><b1>1.555050724e+05</b1><b2>-3.873462640e+00</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>-3.035604054e+08</a1><a2>2.393118392e+05</a2><a3>-7.034999240e+01</a3><a4>1.139551440e-02</a4><a5>-8.315173100e-07</a5><a6>2.863705515e-11</a6><a7>-3.803269410e-16</a7><b1>-1.688617704e+06</b1><b2>6.291980420e+02</b2></T_range></specie><specie inp_file_name="COCl"><identification><InChIKey>DDKMFOUTRRODRE-UHFFFAOYSA-N</InChIKey><canonical_smiles>[C](=O)Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>chloromethanone</IUPAC_name></identification><comment>Gurvich,1991 pt1 p118 pt2 p91.</comment><reference>tpis91</reference><elements><element C="1" /><element O="1" /><element Cl="1" /></elements><condensed>False</condensed><molecular_weight>0.0634631</molecular_weight><hf298.15>-16000.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>2.513175740e+04</a1><a2>-5.969189670e+02</a2><a3>8.327671350e+00</a3><a4>-7.056132590e-03</a4><a5>1.313150734e-05</a5><a6>-1.037059653e-08</a6><a7>3.033665179e-12</a7><b1>-7.052770320e+02</b1><b2>-1.580716775e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>3.443720240e+05</a1><a2>-1.793143470e+03</a2><a3>8.392755900e+00</a3><a4>-5.374769590e-04</a4><a5>9.113555710e-08</a5><a6>-3.111441728e-12</a6><a7>-2.040435218e-16</a7><b1>6.914470150e+03</b1><b2>-1.998919104e+01</b2></T_range></specie><specie inp_file_name="COCl2"><identification><InChIKey>YGYAWVDWMABLBF-UHFFFAOYSA-N</InChIKey><canonical_smiles>C(=O)(Cl)Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>carbonyl dichloride</IUPAC_name></identification><comment>Gurvich,1991 pt1 p119 pt2 p92.</comment><reference>tpis91</reference><elements><element C="1" /><element O="1" /><element Cl="2" /></elements><condensed>False</condensed><molecular_weight>0.0989161</molecular_weight><hf298.15>-219500.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>9.319321450e+04</a1><a2>-1.577971273e+03</a2><a3>1.208353907e+01</a3><a4>-4.809015610e-03</a4><a5>7.688477320e-06</a5><a6>-5.858841200e-09</a6><a7>1.687786559e-12</a7><b1>-2.054252334e+04</b1><b2>-3.834767320e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.545881891e+04</a1><a2>-1.305958516e+03</a2><a3>1.092922584e+01</a3><a4>-3.601210160e-04</a4><a5>7.787017650e-08</a5><a6>-8.792452030e-12</a6><a7>4.028696610e-16</a7><b1>-2.219847340e+04</b1><b2>-3.233303450e+01</b2></T_range></specie><specie inp_file_name="COFCl"><identification><InChIKey>OXVVNXMNLYYMOL-UHFFFAOYSA-N</InChIKey><canonical_smiles>C(=O)(F)Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>carbonyl chloride fluoride</IUPAC_name></identification><comment>Gurvich,1991 pt1 p146 pt2 p120.</comment><reference>tpis91</reference><elements><element C="1" /><element O="1" /><element F="1" /><element Cl="1" /></elements><condensed>False</condensed><molecular_weight>0.0824615032</molecular_weight><hf298.15>-429492.862</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>7.262173900e+04</a1><a2>-1.019738175e+03</a2><a3>7.290911990e+00</a3><a4>7.420691710e-03</a4><a5>-7.902548080e-06</a5><a6>4.209427650e-09</a6><a7>-9.314412900e-13</a7><b1>-4.804386460e+04</b1><b2>-1.316923671e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-5.316887910e+04</a1><a2>-1.581009678e+03</a2><a3>1.112696501e+01</a3><a4>-4.373000800e-04</a4><a5>9.464190710e-08</a5><a6>-1.069291346e-11</a6><a7>4.901756640e-16</a7><b1>-4.599667230e+04</b1><b2>-3.525879824e+01</b2></T_range></specie><specie inp_file_name="COF2"><identification><InChIKey>IYRWEQXVUNLMAY-UHFFFAOYSA-N</InChIKey><canonical_smiles>C(=O)(F)F</canonical_smiles><cas_number>353-50-4</cas_number><IUPAC_name>carbonyl difluoride</IUPAC_name></identification><comment>Gurvich,1991 pt1 p89 pt2 p66.</comment><reference>tpis91</reference><elements><element C="1" /><element O="1" /><element F="2" /></elements><condensed>False</condensed><molecular_weight>0.06600690640000001</molecular_weight><hf298.15>-640000.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>5.263393150e+04</a1><a2>-4.618603390e+02</a2><a3>2.774114516e+00</a3><a4>1.831931082e-02</a4><a5>-2.130172554e-05</a5><a6>1.266924542e-08</a6><a7>-3.101675983e-12</a7><b1>-7.564255100e+04</b1><b2>9.467181460e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-4.073806850e+04</a1><a2>-1.974009812e+03</a2><a3>1.140363654e+01</a3><a4>-5.437111470e-04</a4><a5>1.175232744e-07</a5><a6>-1.326564192e-11</a6><a7>6.076772130e-16</a7><b1>-6.907795410e+04</b1><b2>-4.009695000e+01</b2></T_range></specie><specie inp_file_name="COHCl"><identification><InChIKey>GFAUNYMRSKVDJL-UHFFFAOYSA-N</InChIKey><canonical_smiles>C(=O)Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>formyl chloride</IUPAC_name></identification><comment>Gurvich,1991 pt1 p134 pt2 p106.</comment><reference>tpis91</reference><elements><element C="1" /><element O="1" /><element H="1" /><element Cl="1" /></elements><condensed>False</condensed><molecular_weight>0.06447104000000001</molecular_weight><hf298.15>-164211.876</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>6.332946870e+03</a1><a2>8.120365590e+01</a2><a3>1.374648391e+00</a3><a4>1.650970564e-02</a4><a5>-1.692917241e-05</a5><a6>9.684046830e-09</a6><a7>-2.374469390e-12</a7><b1>-2.120356580e+04</b1><b2>1.938379650e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>8.318952850e+05</a1><a2>-4.416870840e+03</a2><a3>1.270661114e+01</a3><a4>-9.361408630e-04</a4><a5>1.855335611e-07</a5><a6>-1.958378539e-11</a6><a7>8.512046830e-16</a7><b1>4.330496440e+03</b1><b2>-5.145071542e+01</b2></T_range></specie><specie inp_file_name="COHF"><identification><InChIKey>NHGVZTMBVDFPHJ-UHFFFAOYSA-N</InChIKey><canonical_smiles>C(=O)F</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>formyl fluoride</IUPAC_name></identification><comment>Gurvich,1991 pt1 p106 pt2 p80.</comment><reference>tpis91</reference><elements><element C="1" /><element O="1" /><element H="1" /><element F="1" /></elements><condensed>False</condensed><molecular_weight>0.048016443199999995</molecular_weight><hf298.15>-374590.361</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-4.585828500e+04</a1><a2>1.048202675e+03</a2><a3>-4.776574220e+00</a3><a4>3.080719931e-02</a4><a5>-3.415895900e-05</a5><a6>2.034926806e-08</a6><a7>-5.054194620e-12</a7><b1>-5.085983730e+04</b1><b2>5.232247410e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>8.578853160e+05</a1><a2>-4.791959120e+03</a2><a3>1.293975218e+01</a3><a4>-1.018285299e-03</a4><a5>2.021278474e-07</a5><a6>-2.136698091e-11</a6><a7>9.299588910e-16</a7><b1>-1.878933107e+04</b1><b2>-5.527449140e+01</b2></T_range></specie><specie inp_file_name="COS"><identification><InChIKey>JJWKPURADFRFRB-UHFFFAOYSA-N</InChIKey><canonical_smiles>C(=O)=S</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>sulfanylidenemethanone</IUPAC_name></identification><comment>Gurvich,1991 pt1 p211 pt2 p200.</comment><reference>g 5/01</reference><elements><element C="1" /><element O="1" /><element S="1" /></elements><condensed>False</condensed><molecular_weight>0.0600751</molecular_weight><hf298.15>-141700.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>8.547876430e+04</a1><a2>-1.319464821e+03</a2><a3>9.735257240e+00</a3><a4>-6.870830960e-03</a4><a5>1.082331416e-05</a5><a6>-7.705597340e-09</a6><a7>2.078570344e-12</a7><b1>-1.191657685e+04</b1><b2>-2.991988593e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.959098567e+05</a1><a2>-1.756167688e+03</a2><a3>8.710430340e+00</a3><a4>-4.139424960e-04</a4><a5>1.015243648e-07</a5><a6>-1.159609663e-11</a6><a7>5.691053860e-16</a7><b1>-8.927096690e+03</b1><b2>-2.636328016e+01</b2></T_range></specie><specie inp_file_name="CO2"><identification><InChIKey>CURLTUGMZLYLDI-UHFFFAOYSA-N</InChIKey><canonical_smiles>C(=O)=O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>carbon dioxide</IUPAC_name></identification><comment>Gurvich,1991 pt1 p27 pt2 p24.</comment><reference>g 9/99</reference><elements><element C="1" /><element O="2" /></elements><condensed>False</condensed><molecular_weight>0.0440095</molecular_weight><hf298.15>-393510.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>4.943650540e+04</a1><a2>-6.264116010e+02</a2><a3>5.301725240e+00</a3><a4>2.503813816e-03</a4><a5>-2.127308728e-07</a5><a6>-7.689988780e-10</a6><a7>2.849677801e-13</a7><b1>-4.528198460e+04</b1><b2>-7.048279440e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.176962419e+05</a1><a2>-1.788791477e+03</a2><a3>8.291523190e+00</a3><a4>-9.223156780e-05</a4><a5>4.863676880e-09</a5><a6>-1.891053312e-12</a6><a7>6.330036590e-16</a7><b1>-3.908350590e+04</b1><b2>-2.652669281e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>-1.544423287e+09</a1><a2>1.016847056e+06</a2><a3>-2.561405230e+02</a3><a4>3.369401080e-02</a4><a5>-2.181184337e-06</a5><a6>6.991420840e-11</a6><a7>-8.842351500e-16</a7><b1>-8.043214510e+06</b1><b2>2.254177493e+03</b2></T_range></specie><specie inp_file_name="CO2+"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1991 pt1 p30 pt2 p26.</comment><reference>g 9/99</reference><elements><element C="1" /><element O="2" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.0440089514</molecular_weight><hf298.15>944687.989</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>-7.383030980e+04</a1><a2>1.086211742e+03</a2><a3>-2.771112737e+00</a3><a4>2.318463595e-02</a4><a5>-2.570240315e-05</a5><a6>1.450335497e-08</a6><a7>-3.334470420e-12</a7><b1>1.071784918e+05</b1><b2>4.054885210e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.695051682e+05</a1><a2>-8.066469730e+02</a2><a3>8.002828460e+00</a3><a4>-1.577214041e-04</a4><a5>2.566759314e-08</a5><a6>-2.404195965e-12</a6><a7>1.677446800e-16</a7><b1>1.154389478e+05</b1><b2>-2.133567772e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>-8.365409060e+07</a1><a2>5.333327510e+04</a2><a3>-5.621698360e+00</a3><a4>1.491439440e-03</a4><a5>-7.553254510e-08</a5><a6>1.794658103e-12</a6><a7>-1.627521598e-17</a7><b1>-3.111917656e+05</b1><b2>9.673884890e+01</b2></T_range></specie><specie inp_file_name="COOH"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1991 pt1 p60 pt2 p46.</comment><reference>tpis91</reference><elements><element C="1" /><element O="2" /><element H="1" /></elements><condensed>False</condensed><molecular_weight>0.04501744</molecular_weight><hf298.15>-213000.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.128380671e+04</a1><a2>3.775179430e+02</a2><a3>-5.992550410e-01</a3><a4>2.181894272e-02</a4><a5>-2.425918417e-05</a5><a6>1.451245206e-08</a6><a7>-3.596233380e-12</a7><b1>-2.841042565e+04</b1><b2>2.934561769e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>9.293188730e+05</a1><a2>-4.483030570e+03</a2><a3>1.242199567e+01</a3><a4>-7.463139640e-04</a4><a5>1.332996131e-07</a5><a6>-1.282710550e-11</a6><a7>5.137997900e-16</a7><b1>-8.518232680e+02</b1><b2>-5.068065510e+01</b2></T_range></specie><specie inp_file_name="CP"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1991 pt1 p231 pt2 p219.</comment><reference>tpis91</reference><elements><element C="1" /><element P="1" /></elements><condensed>False</condensed><molecular_weight>0.042984461</molecular_weight><hf298.15>520161.805</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-4.523940110e+04</a1><a2>7.758828140e+02</a2><a3>-1.453947907e+00</a3><a4>1.397713706e-02</a4><a5>-1.624489706e-05</a5><a6>9.514083880e-09</a6><a7>-2.210281109e-12</a7><b1>5.792634670e+04</b1><b2>3.311647920e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-5.449937150e+06</a1><a2>1.688345926e+04</a2><a3>-1.595692200e+01</a3><a4>1.136028761e-02</a4><a5>-2.846541330e-06</a5><a6>3.379364040e-10</a6><a7>-1.554457397e-14</a7><b1>-4.554517740e+04</b1><b2>1.451324059e+02</b2></T_range></specie><specie inp_file_name="CS"><identification><InChIKey>DXHPZXWIPWDXHJ-UHFFFAOYSA-N</InChIKey><canonical_smiles>[C-]#[S+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>methanidylidynesulfanium</IUPAC_name></identification><comment>Hf:Prinslow,1991. Gurvich,1991 pt1 p206 pt2 p198.</comment><reference>g11/01</reference><elements><element C="1" /><element S="1" /></elements><condensed>False</condensed><molecular_weight>0.044075699999999995</molecular_weight><hf298.15>278550.078</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-4.924844120e+04</a1><a2>8.166968100e+02</a2><a3>-1.542998408e+00</a3><a4>1.380324735e-02</a4><a5>-1.574407905e-05</a5><a6>9.169714930e-09</a6><a7>-2.169700595e-12</a7><b1>2.865182876e+04</b1><b2>3.308541327e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-9.719574760e+05</a1><a2>2.339201284e+03</a2><a3>1.709390402e+00</a3><a4>1.577178949e-03</a4><a5>-4.146335910e-07</a5><a6>4.504757080e-11</a6><a7>-5.945457730e-16</a7><b1>1.681020727e+04</b1><b2>1.874048220e+01</b2></T_range></specie><specie inp_file_name="CS2"><identification><InChIKey>QGJOPFRUJISHPQ-UHFFFAOYSA-N</InChIKey><canonical_smiles>C(=S)=S</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>methanedithione</IUPAC_name></identification><comment>Gurvich,1991 pt1 p209 pt2 p199.</comment><reference>g 6/95</reference><elements><element C="1" /><element S="2" /></elements><condensed>False</condensed><molecular_weight>0.07614069999999999</molecular_weight><hf298.15>116700.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.613560482e+04</a1><a2>-4.649481470e+02</a2><a3>6.297938790e+00</a3><a4>1.888896706e-03</a4><a5>3.031927747e-07</a5><a6>-1.737645373e-09</a6><a7>7.793989390e-13</a7><b1>1.477761119e+04</b1><b2>-9.303382130e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.390419724e+06</a1><a2>3.354975500e+03</a2><a3>3.019247723e+00</a3><a4>2.876437543e-03</a4><a5>-9.076812720e-07</a5><a6>1.374091042e-10</a6><a7>-6.999575570e-15</a7><b1>-1.013898046e+04</b1><b2>1.565113703e+01</b2></T_range></specie><specie inp_file_name="C2"><identification><InChIKey>LBVWYGNGGJURHQ-UHFFFAOYSA-N</InChIKey><canonical_smiles>[C-]#[C+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>ethyne</IUPAC_name></identification><comment>Gurvich,1991 pt1 p9 pt2 p8.</comment><reference>tpis91</reference><elements><element C="2" /></elements><condensed>False</condensed><molecular_weight>0.0240214</molecular_weight><hf298.15>830457.322</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>5.559634510e+05</a1><a2>-9.980126440e+03</a2><a3>6.681620370e+01</a3><a4>-1.743432724e-01</a4><a5>2.448523051e-04</a5><a6>-1.703467580e-07</a6><a7>4.684527730e-11</a7><b1>1.445869634e+05</b1><b2>-3.448229700e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-9.689267930e+05</a1><a2>3.561092990e+03</a2><a3>-5.064138930e-01</a3><a4>2.945154879e-03</a4><a5>-7.139441190e-07</a5><a6>8.670657250e-11</a6><a7>-4.076906810e-15</a7><b1>7.681796830e+04</b1><b2>3.339985240e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>6.315145920e+06</a1><a2>1.365420661e+04</a2><a3>-3.996903670e+00</a3><a4>1.937561376e-03</a4><a5>-1.584446580e-07</a5><a6>5.520861660e-12</a6><a7>-7.253735340e-17</a7><b1>9.387024990e+03</b1><b2>6.614329920e+01</b2></T_range></specie><specie inp_file_name="C2+"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1991 pt1 p14 pt2 p10.</comment><reference>tpis91</reference><elements><element C="2" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.0240208514</molecular_weight><hf298.15>2004775.532</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>-9.913423840e+04</a1><a2>1.347170609e+03</a2><a3>-3.476753160e+00</a3><a4>1.676429424e-02</a4><a5>-1.865908025e-05</a5><a6>1.091134647e-08</a6><a7>-2.434913818e-12</a7><b1>2.335454800e+05</b1><b2>4.406644620e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>3.836292810e+06</a1><a2>-6.242062450e+03</a2><a3>2.779245639e+00</a3><a4>6.065865860e-03</a4><a5>-2.452799858e-06</a5><a6>3.882942500e-10</a6><a7>-2.190639912e-14</a7><b1>2.857447553e+05</b1><b2>7.297383490e-01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>4.992689800e+07</a1><a2>-2.017309121e+04</a2><a3>6.342227540e+00</a3><a4>6.369922600e-04</a4><a5>-1.036760828e-07</a5><a6>4.943272920e-12</a6><a7>-7.988804260e-17</a7><b1>4.120857610e+05</b1><b2>-2.112967169e+01</b2></T_range></specie><specie inp_file_name="C2-"><identification><InChIKey>LBVWYGNGGJURHQ-UHFFFAOYSA-N</InChIKey><canonical_smiles>[C-]#[C+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>ethyne</IUPAC_name></identification><comment>Gurvich,1991 pt1 p15 pt2 p12.</comment><reference>tpis91</reference><elements><element C="2" /><element E="1" /></elements><condensed>False</condensed><molecular_weight>0.024021948600000002</molecular_weight><hf298.15>480766.904</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>-1.181928660e+05</a1><a2>1.438189710e+03</a2><a3>-3.196131350e+00</a3><a4>1.465548163e-02</a4><a5>-1.545537278e-05</a5><a6>9.061235610e-09</a6><a7>-2.135962274e-12</a7><b1>4.965317790e+04</b1><b2>4.225608880e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>4.478136250e+06</a1><a2>-1.154145714e+04</a2><a3>1.310143499e+01</a3><a4>-1.862700578e-03</a4><a5>4.006931250e-08</a5><a6>3.710213600e-11</a6><a7>-3.337266870e-15</a7><b1>1.325356168e+05</b1><b2>-6.975964400e+01</b2></T_range></specie><specie inp_file_name="C2Cl"><identification><InChIKey>YWVOYVKNISJERC-UHFFFAOYSA-N</InChIKey><canonical_smiles>[C-]#CCl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>chloroethyne</IUPAC_name></identification><comment>Gurvich,1991 pt1 p112 pt2 p85.</comment><reference>tpis91</reference><elements><element C="2" /><element Cl="1" /></elements><condensed>False</condensed><molecular_weight>0.059474400000000004</molecular_weight><hf298.15>534083.071</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>4.725889410e+04</a1><a2>-8.980223610e+02</a2><a3>9.016877150e+00</a3><a4>-6.333782830e-03</a4><a5>1.087060050e-05</a5><a6>-8.089068920e-09</a6><a7>2.248275223e-12</a7><b1>6.702215700e+04</b1><b2>-2.354893403e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>2.137368408e+05</a1><a2>-1.630519518e+03</a2><a3>8.623490250e+00</a3><a4>-4.253517860e-04</a4><a5>9.040018640e-08</a5><a6>-1.007541495e-11</a6><a7>4.570764750e-16</a7><b1>7.171093280e+04</b1><b2>-2.413014598e+01</b2></T_range></specie><specie inp_file_name="C2Cl2"><identification><InChIKey>ZMJOVJSTYLQINE-UHFFFAOYSA-N</InChIKey><canonical_smiles>C(#CCl)Cl</canonical_smiles><cas_number>7572-29-4</cas_number><IUPAC_name>1,2-dichloroethyne</IUPAC_name></identification><comment>Hf:Manion,2002. Gurvich,1991 pt1 p114 pt2 p86.</comment><reference>g 5/02</reference><elements><element C="2" /><element Cl="2" /></elements><condensed>False</condensed><molecular_weight>0.09492740000000001</molecular_weight><hf298.15>226600.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>3.871168730e+04</a1><a2>-9.336870210e+02</a2><a3>1.119377832e+01</a3><a4>-3.746287380e-03</a4><a5>6.770471350e-06</a5><a6>-4.910387450e-09</a6><a7>1.299068486e-12</a7><b1>0.000000000e+00</b1><b2>2.948153174e+04</b2><b3>-3.310723530e+01</b3></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>2.961995390e+05</a1><a2>-2.044290845e+03</a2><a3>1.187529729e+01</a3><a4>-5.115031340e-04</a4><a5>1.072666588e-07</a5><a6>-1.183417569e-11</a6><a7>5.326530480e-16</a7><b1>0.000000000e+00</b1><b2>3.636802500e+04</b2><b3>-4.000826050e+01</b3></T_range></specie><specie inp_file_name="C2Cl3"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1991 pt1 p114 pt2 p87.</comment><reference>tpis91</reference><elements><element C="2" /><element Cl="3" /></elements><condensed>False</condensed><molecular_weight>0.1303804</molecular_weight><hf298.15>190271.592</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>4.675016040e+04</a1><a2>-8.851019640e+02</a2><a3>9.032270550e+00</a3><a4>1.242122796e-02</a4><a5>-1.554614347e-05</a5><a6>9.513887120e-09</a6><a7>-2.341473263e-12</a7><b1>2.495863399e+04</b1><b2>-1.779070154e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.204028219e+05</a1><a2>-1.072926248e+03</a2><a3>1.378367377e+01</a3><a4>-3.093322915e-04</a4><a5>6.777528950e-08</a5><a6>-7.727301820e-12</a6><a7>3.566690220e-16</a7><b1>2.431020015e+04</b1><b2>-4.342161815e+01</b2></T_range></specie><specie inp_file_name="C2Cl4"><identification><InChIKey>CYTYCFOTNPOANT-UHFFFAOYSA-N</InChIKey><canonical_smiles>C(=C(Cl)Cl)(Cl)Cl</canonical_smiles><cas_number>127-18-4</cas_number><IUPAC_name>1,1,2,2-tetrachloroethene</IUPAC_name></identification><comment>Hf:Manion,2002. Gurvich,1991 pt1 p115 pt2 p88.</comment><reference>g 5/02</reference><elements><element C="2" /><element Cl="4" /></elements><condensed>False</condensed><molecular_weight>0.16583340000000002</molecular_weight><hf298.15>-24200.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>3.746257500e+04</a1><a2>-8.481774390e+02</a2><a3>1.009156041e+01</a3><a4>1.845463807e-02</a4><a5>-2.390899731e-05</a5><a6>1.514828471e-08</a6><a7>-3.841119950e-12</a7><b1>0.000000000e+00</b1><b2>-1.598289063e+03</b2><b3>-2.368079134e+01</b3></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-3.001289625e+05</a1><a2>-1.132413909e+03</a2><a3>1.683073063e+01</a3><a4>-3.288820170e-04</a4><a5>7.220975400e-08</a5><a6>-8.245417760e-12</a6><a7>3.810154710e-16</a7><b1>0.000000000e+00</b1><b2>-2.292758158e+03</b2><b3>-5.980164420e+01</b3></T_range></specie><specie inp_file_name="C2Cl6"><identification><InChIKey>VHHHONWQHHHLTI-UHFFFAOYSA-N</InChIKey><canonical_smiles>C(C(Cl)(Cl)Cl)(Cl)(Cl)Cl</canonical_smiles><cas_number>67-72-1</cas_number><IUPAC_name>1,1,1,2,2,2-hexachloroethane</IUPAC_name></identification><comment>Hf:Manion,2002. Gurvich,1991 pt1 p117 pt2 p90.</comment><reference>g 5/02</reference><elements><element C="2" /><element Cl="6" /></elements><condensed>False</condensed><molecular_weight>0.2367394</molecular_weight><hf298.15>-148200.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.593451902e+05</a1><a2>-2.606697262e+03</a2><a3>2.028011918e+01</a3><a4>1.769364625e-02</a4><a5>-3.133104894e-05</a5><a6>2.389395021e-08</a6><a7>-6.893037660e-12</a7><b1>0.000000000e+00</b1><b2>-9.038007040e+03</b2><b3>-7.953073010e+01</b3></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-5.577351940e+05</a1><a2>-4.976576790e+02</a2><a3>2.237042798e+01</a3><a4>-1.477797229e-04</a4><a5>3.257641460e-08</a5><a6>-3.727218070e-12</a6><a7>1.723860648e-16</a7><b1>0.000000000e+00</b1><b2>-2.335217699e+04</b2><b3>-8.381736910e+01</b3></T_range></specie><specie inp_file_name="C2F"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1991 pt1 p81 pt2 p59.</comment><reference>tpis91</reference><elements><element C="2" /><element F="1" /></elements><condensed>False</condensed><molecular_weight>0.0430198032</molecular_weight><hf298.15>353847.482</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.249797213e+04</a1><a2>-3.483876750e+02</a2><a3>5.755084350e+00</a3><a4>8.528685380e-04</a4><a5>2.353546435e-06</a5><a6>-2.804737097e-09</a6><a7>9.083575640e-13</a7><b1>4.281525310e+04</b1><b2>-6.437200960e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>2.898776676e+05</a1><a2>-2.016644658e+03</a2><a3>8.875045710e+00</a3><a4>-5.166841130e-04</a4><a5>1.092094306e-07</a5><a6>-1.212216787e-11</a6><a7>5.482287680e-16</a7><b1>5.241287920e+04</b1><b2>-2.773089580e+01</b2></T_range></specie><specie inp_file_name="C2FCl"><identification><InChIKey>OODNVUHMYJVFIQ-UHFFFAOYSA-N</InChIKey><canonical_smiles>C(#CCl)F</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>1-chloro-2-fluoroethyne</IUPAC_name></identification><comment>Gurvich,1991 pt1 p141 pt2 p113.</comment><reference>tpis91</reference><elements><element C="2" /><element F="1" /><element Cl="1" /></elements><condensed>False</condensed><molecular_weight>0.0784728032</molecular_weight><hf298.15>33766.399</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>2.697675344e+04</a1><a2>-7.414403180e+02</a2><a3>9.629604300e+00</a3><a4>-3.865544930e-04</a4><a5>3.003347997e-06</a5><a6>-2.710191661e-09</a6><a7>7.737586890e-13</a7><b1>5.500620390e+03</b1><b2>-2.515774889e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>3.471454890e+05</a1><a2>-2.348461100e+03</a2><a3>1.206875617e+01</a3><a4>-5.804698230e-04</a4><a5>1.212734340e-07</a5><a6>-1.334214186e-11</a6><a7>5.992556610e-16</a7><b1>1.502061224e+04</b1><b2>-4.252445687e+01</b2></T_range></specie><specie inp_file_name="C2FCl3"><identification><InChIKey>LFMIQNJMJJKICW-UHFFFAOYSA-N</InChIKey><canonical_smiles>C(=C(Cl)Cl)(F)Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>1,1,2-trichloro-2-fluoroethene</IUPAC_name></identification><comment>Gurvich,1991 pt1 p145 pt2 p119.</comment><reference>tpis91</reference><elements><element C="2" /><element F="1" /><element Cl="3" /></elements><condensed>False</condensed><molecular_weight>0.1493788032</molecular_weight><hf298.15>-166000.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.237282217e+04</a1><a2>-4.703961840e+02</a2><a3>7.581621790e+00</a3><a4>2.305727066e-02</a4><a5>-2.792144322e-05</a5><a6>1.679699826e-08</a6><a7>-4.077572440e-12</a7><b1>-2.031333976e+04</b1><b2>-9.274637513e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.829505545e+05</a1><a2>-1.473853145e+03</a2><a3>1.707879074e+01</a3><a4>-4.265213390e-04</a4><a5>9.357199850e-08</a5><a6>-1.067932796e-11</a6><a7>4.933261610e-16</a7><b1>-1.738433314e+04</b1><b2>-6.197054796e+01</b2></T_range></specie><specie inp_file_name="C2F2"><identification><InChIKey>BWTZYYGAOGUPFQ-UHFFFAOYSA-N</InChIKey><canonical_smiles>C(#CF)F</canonical_smiles><cas_number>689-99-6</cas_number><IUPAC_name>1,2-difluoroethyne</IUPAC_name></identification><comment>Gurvich,1991 pt1 p82 pt2 p60.</comment><reference>tpis91</reference><elements><element C="2" /><element F="2" /></elements><condensed>False</condensed><molecular_weight>0.0620182064</molecular_weight><hf298.15>-144665.688</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.776313572e+04</a1><a2>-6.113280940e+02</a2><a3>8.663606800e+00</a3><a4>9.156381210e-04</a4><a5>2.363808425e-06</a5><a6>-2.753750054e-09</a6><a7>8.713935970e-13</a7><b1>-1.649611017e+04</b1><b2>-2.165150307e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>4.193890940e+05</a1><a2>-2.715359989e+03</a2><a3>1.230403413e+01</a3><a4>-6.649305540e-04</a4><a5>1.385254301e-07</a5><a6>-1.520813764e-11</a6><a7>6.819821030e-16</a7><b1>-4.179221940e+03</b1><b2>-4.670386230e+01</b2></T_range></specie><specie inp_file_name="C2F2Cl2"><identification><InChIKey>QDGONURINHVBEW-UHFFFAOYSA-N</InChIKey><canonical_smiles>C(=C(Cl)Cl)(F)F</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>1,1-dichloro-2,2-difluoroethene</IUPAC_name></identification><comment>Gurvich,1991 pt1 p143 pt2 p115. Eql mixture of isomers.</comment><reference>tpis91</reference><elements><element C="2" /><element F="2" /><element Cl="2" /></elements><condensed>False</condensed><molecular_weight>0.1329242064</molecular_weight><hf298.15>-337837.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.150433214e+05</a1><a2>2.032113595e+03</a2><a3>-1.119750271e+01</a3><a4>8.342451400e-02</a4><a5>-1.163698616e-04</a5><a6>7.833092890e-08</a6><a7>-2.070004069e-11</a7><b1>-5.208256810e+04</b1><b2>8.888322147e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-8.702565660e+05</a1><a2>7.264724480e+02</a2><a3>1.530689121e+01</a3><a4>3.045597224e-04</a4><a5>-7.045468040e-08</a5><a6>8.285924340e-12</a6><a7>-3.898581070e-16</a7><b1>-5.208888710e+04</b1><b2>-4.998300753e+01</b2></T_range></specie><specie inp_file_name="C2F3"><identification><InChIKey>MHNPWFZIRJMRKC-UHFFFAOYSA-N</InChIKey><canonical_smiles>[C](=C(F)F)F</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>1,1,2-trifluoroethene</IUPAC_name></identification><comment>Gurvich,1991 pt1 p83 pt2 p61.</comment><reference>tpis91</reference><elements><element C="2" /><element F="3" /></elements><condensed>False</condensed><molecular_weight>0.0810166096</molecular_weight><hf298.15>-228181.093</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-2.614775016e+04</a1><a2>2.101767714e+02</a2><a3>2.328625080e+00</a3><a4>2.368943293e-02</a4><a5>-2.416431591e-05</a5><a6>1.224916093e-08</a6><a7>-2.488670434e-12</a7><b1>-3.028566585e+04</b1><b2>1.699608790e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.242603837e+05</a1><a2>-2.137292446e+03</a2><a3>1.455051371e+01</a3><a4>-6.093891980e-04</a4><a5>1.331427672e-07</a5><a6>-1.515124358e-11</a6><a7>6.984112060e-16</a7><b1>-1.977146179e+04</b1><b2>-5.421039870e+01</b2></T_range></specie><specie inp_file_name="C2F3Cl"><identification><InChIKey>UUAGAQFQZIEFAH-UHFFFAOYSA-N</InChIKey><canonical_smiles>C(=C(F)Cl)(F)F</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>1-chloro-1,2,2-trifluoroethene</IUPAC_name></identification><comment>Gurvich,1991 pt1 p142 pt2 p114.</comment><reference>tpis91</reference><elements><element C="2" /><element F="3" /><element Cl="1" /></elements><condensed>False</condensed><molecular_weight>0.1164696096</molecular_weight><hf298.15>-515200.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-8.122270310e+03</a1><a2>-1.574007092e+02</a2><a3>5.041810290e+00</a3><a4>2.621692321e-02</a4><a5>-2.843001445e-05</a5><a6>1.537643979e-08</a6><a7>-3.360730670e-12</a7><b1>-6.354049950e+04</b1><b2>2.792301872e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.162724659e+05</a1><a2>-2.195103372e+03</a2><a3>1.759605428e+01</a3><a4>-6.282617290e-04</a4><a5>1.374166610e-07</a5><a6>-1.565004037e-11</a6><a7>7.218309900e-16</a7><b1>-5.515109500e+04</b1><b2>-6.921931824e+01</b2></T_range></specie><specie inp_file_name="C2F4"><identification><InChIKey>BFKJFAAPBSQJPD-UHFFFAOYSA-N</InChIKey><canonical_smiles>C(=C(F)F)(F)F</canonical_smiles><cas_number>116-14-3</cas_number><IUPAC_name>1,1,2,2-tetrafluoroethene</IUPAC_name></identification><comment>Gurvich,1991 pt1 p84 pt2 p62.</comment><reference>tpis91</reference><elements><element C="2" /><element F="4" /></elements><condensed>False</condensed><molecular_weight>0.1000150128</molecular_weight><hf298.15>-659500.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-9.991530070e+03</a1><a2>-1.291088427e+02</a2><a3>4.504229050e+00</a3><a4>2.592029640e-02</a4><a5>-2.630308720e-05</a5><a6>1.316489777e-08</a6><a7>-2.625017169e-12</a7><b1>-8.090447080e+04</b1><b2>3.274241470e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.629915758e+05</a1><a2>-2.603903955e+03</a2><a3>1.788488423e+01</a3><a4>-7.397038010e-04</a4><a5>1.614460340e-07</a5><a6>-1.835820392e-11</a6><a7>8.457641070e-16</a7><b1>-7.006371660e+04</b1><b2>-7.454165860e+01</b2></T_range></specie><specie inp_file_name="C2F6"><identification><InChIKey>WMIYKQLTONQJES-UHFFFAOYSA-N</InChIKey><canonical_smiles>C(C(F)(F)F)(F)(F)F</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>1,1,1,2,2,2-hexafluoroethane</IUPAC_name></identification><comment>Gurvich,1991 pt1 p86 pt2 p64.</comment><reference>g12/99</reference><elements><element C="2" /><element F="6" /></elements><condensed>False</condensed><molecular_weight>0.1380118192</molecular_weight><hf298.15>-1344000.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-3.795371700e+04</a1><a2>7.998276400e+02</a2><a3>-4.671561810e+00</a3><a4>7.501450990e-02</a4><a5>-9.812116100e-05</a5><a6>6.319807590e-08</a6><a7>-1.622597311e-11</a7><b1>-1.675211878e+05</b1><b2>5.053759200e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.011551484e+06</a1><a2>-9.422140710e+02</a2><a3>2.202553906e+01</a3><a4>-1.314518750e-04</a4><a5>1.866045300e-08</a5><a6>-3.467118610e-12</a6><a7>2.488311205e-16</a7><b1>-1.657434402e+05</b1><b2>-9.302161150e+01</b2></T_range></specie><specie inp_file_name="C2H"><identification><InChIKey>XEHVFKKSDRMODV-UHFFFAOYSA-N</InChIKey><canonical_smiles>C#[C]</canonical_smiles><cas_number>2122-48-7</cas_number><IUPAC_name>ethyne</IUPAC_name></identification><comment>Ervin, 1990. Jacox,1998. Peric,1990. Kanamori,1988.</comment><reference>g 6/01</reference><elements><element C="2" /><element H="1" /></elements><condensed>False</condensed><molecular_weight>0.02502934</molecular_weight><hf298.15>566200.482</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.343669487e+04</a1><a2>-5.067970720e+02</a2><a3>7.772107410e+00</a3><a4>-6.512339820e-03</a4><a5>1.030117855e-05</a5><a6>-5.880147670e-09</a6><a7>1.226901861e-12</a7><b1>6.892269990e+04</b1><b2>-1.871881626e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>3.922334570e+06</a1><a2>-1.204751703e+04</a2><a3>1.756172920e+01</a3><a4>-3.655442940e-03</a4><a5>6.987685430e-07</a5><a6>-6.825162010e-11</a6><a7>2.719262793e-15</a7><b1>1.433266627e+05</b1><b2>-9.561634380e+01</b2></T_range></specie><specie inp_file_name="C2HCl"><identification><InChIKey>DIWKDXFZXXCDLF-UHFFFAOYSA-N</InChIKey><canonical_smiles>C#CCl</canonical_smiles><cas_number>593-63-5</cas_number><IUPAC_name>chloroethyne</IUPAC_name></identification><comment>Hf:Manion,2002. Gurvich,1991 pt1 p129 pt2 p99.</comment><reference>g 5/02</reference><elements><element C="2" /><element H="1" /><element Cl="1" /></elements><condensed>False</condensed><molecular_weight>0.06048234</molecular_weight><hf298.15>226400.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.329784931e+05</a1><a2>-2.174542005e+03</a2><a3>1.497980787e+01</a3><a4>-1.290343200e-02</a4><a5>1.602596399e-05</a5><a6>-9.152047430e-09</a6><a7>2.021222995e-12</a7><b1>0.000000000e+00</b1><b2>3.604801260e+04</b2><b3>-5.958236750e+01</b3></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.152149855e+06</a1><a2>-4.461204350e+03</a2><a3>1.281367818e+01</a3><a4>-6.797397460e-04</a4><a5>1.151395389e-07</a5><a6>-1.046657798e-11</a6><a7>3.949939170e-16</a7><b1>0.000000000e+00</b1><b2>5.233955000e+04</b2><b3>-5.320661700e+01</b3></T_range></specie><specie inp_file_name="C2HCl3"><identification><InChIKey>XSTXAVWGXDQKEL-UHFFFAOYSA-N</InChIKey><canonical_smiles>C(=C(Cl)Cl)Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>1,1,2-trichloroethene</IUPAC_name></identification><comment>Hf:Manion,2002. Gurvich,1991 pt1 p134 pt2 p105.</comment><reference>g 5/02</reference><elements><element C="2" /><element H="1" /><element Cl="3" /></elements><condensed>False</condensed><molecular_weight>0.13138834</molecular_weight><hf298.15>-17500.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>3.959233060e+04</a1><a2>-5.178756040e+02</a2><a3>5.155030160e+00</a3><a4>2.816922101e-02</a4><a5>-3.624741150e-05</a5><a6>2.392073843e-08</a6><a7>-6.362400700e-12</a7><b1>0.000000000e+00</b1><b2>-1.534345080e+03</b2><b3>1.209377115e+00</b3></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>6.049298240e+05</a1><a2>-4.237003190e+03</a2><a3>1.846274582e+01</a3><a4>-8.137243260e-04</a4><a5>1.551223511e-07</a5><a6>-1.584645594e-11</a6><a7>6.701006540e-16</a7><b1>0.000000000e+00</b1><b2>1.848292676e+04</b2><b3>-7.698375250e+01</b3></T_range></specie><specie inp_file_name="C2HF"><identification><InChIKey>IAWCIZWLKMTPLL-UHFFFAOYSA-N</InChIKey><canonical_smiles>C#CF</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>fluoroethyne</IUPAC_name></identification><comment>Gurvich,1991 pt1 p99 pt2 p73.</comment><reference>tpis91</reference><elements><element C="2" /><element H="1" /><element F="1" /></elements><condensed>False</condensed><molecular_weight>0.044027743200000004</molecular_weight><hf298.15>41692.304</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>9.161169110e+04</a1><a2>-1.537245636e+03</a2><a3>1.133665074e+01</a3><a4>-4.624729310e-03</a4><a5>5.877985460e-06</a5><a6>-2.690992345e-09</a6><a7>3.524719530e-13</a7><b1>1.085902820e+04</b1><b2>-4.023994380e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.234347179e+06</a1><a2>-4.819581960e+03</a2><a3>1.302337752e+01</a3><a4>-7.495435820e-04</a4><a5>1.285452942e-07</a5><a6>-1.184559365e-11</a6><a7>4.536784760e-16</a7><b1>3.236811710e+04</b1><b2>-5.640791820e+01</b2></T_range></specie><specie inp_file_name="C2HFCl2"><identification><InChIKey>LWDGFGTYBDRKHU-UHFFFAOYSA-N</InChIKey><canonical_smiles>C(=C(F)Cl)Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>1,2-dichloro-1-fluoroethene</IUPAC_name></identification><comment>Gurvich,1991 pt1 p155 pt2 p133. Eql mixture of isomers.</comment><reference>tpis91</reference><elements><element C="2" /><element H="1" /><element F="1" /><element Cl="2" /></elements><condensed>False</condensed><molecular_weight>0.1149337432</molecular_weight><hf298.15>-168648.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>3.117399823e+04</a1><a2>-1.369505457e+02</a2><a3>1.176399869e+00</a3><a4>4.080776600e-02</a4><a5>-5.418137800e-05</a5><a6>3.613600660e-08</a6><a7>-9.625862350e-12</a7><b1>-2.115142871e+04</b1><b2>2.146433160e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>4.071243520e+05</a1><a2>-3.808204520e+03</a2><a3>1.821144050e+01</a3><a4>-7.278966060e-04</a4><a5>1.381532849e-07</a5><a6>-1.405342513e-11</a6><a7>5.920009720e-16</a7><b1>-2.676849943e+03</b1><b2>-7.567353567e+01</b2></T_range></specie><specie inp_file_name="C2HF2Cl"><identification><InChIKey>HTHNTJCVPNKCPZ-UHFFFAOYSA-N</InChIKey><canonical_smiles>C(=C(F)F)Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>2-chloro-1,1-difluoroethene</IUPAC_name></identification><comment>Gurvich,1991 pt1 p153 pt2 p129. 1,1 cis & trans in equil.</comment><reference>tpis91</reference><elements><element C="2" /><element H="1" /><element F="2" /><element Cl="1" /></elements><condensed>False</condensed><molecular_weight>0.09847914640000001</molecular_weight><hf298.15>-333654.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.704437675e+05</a1><a2>-1.667236861e+03</a2><a3>4.788788500e+00</a3><a4>4.444830010e-02</a4><a5>-7.322197770e-05</a5><a6>5.629347550e-08</a6><a7>-1.654638029e-11</a7><b1>-3.291809760e+04</b1><b2>-5.788593640e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>5.830374700e+05</a1><a2>-3.810317410e+03</a2><a3>1.799003171e+01</a3><a4>-5.888210860e-04</a4><a5>1.002861284e-07</a5><a6>-9.149788100e-12</a6><a7>3.459985160e-16</a7><b1>-2.205875409e+04</b1><b2>-7.590948533e+01</b2></T_range></specie><specie inp_file_name="C2HF3"><identification><InChIKey>MIZLGWKEZAPEFJ-UHFFFAOYSA-N</InChIKey><canonical_smiles>C(=C(F)F)F</canonical_smiles><cas_number>359-11-5</cas_number><IUPAC_name>1,1,2-trifluoroethene</IUPAC_name></identification><comment>Gurvich,1991 pt1 p105 pt2 p79.</comment><reference>tpis91</reference><elements><element C="2" /><element H="1" /><element F="3" /></elements><condensed>False</condensed><molecular_weight>0.0820245496</molecular_weight><hf298.15>-491000.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.410969036e+04</a1><a2>3.687624920e+02</a2><a3>-1.144797568e+00</a3><a4>3.956306020e-02</a4><a5>-4.602001360e-05</a5><a6>2.785149385e-08</a6><a7>-6.903760080e-12</a7><b1>-6.226410330e+04</b1><b2>3.289661690e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>6.917413780e+05</a1><a2>-5.260301640e+03</a2><a3>1.915276614e+01</a3><a4>-1.072493938e-03</a4><a5>2.099276744e-07</a5><a6>-2.195126633e-11</a6><a7>9.472702400e-16</a7><b1>-3.247640210e+04</b1><b2>-8.750456950e+01</b2></T_range></specie><specie inp_file_name="C2H2,acetylene"><identification><InChIKey>HSFWRNGVRCDJHI-UHFFFAOYSA-N</InChIKey><canonical_smiles>C#C</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>acetylene</IUPAC_name></identification><comment>Hf:TRC(10/93) w-3040. Gurvich,1991 pt1 p47 pt2 p39.</comment><reference>g 1/91</reference><elements><element C="2" /><element H="2" /></elements><condensed>False</condensed><molecular_weight>0.02603728</molecular_weight><hf298.15>228200.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.598112089e+05</a1><a2>-2.216644118e+03</a2><a3>1.265707813e+01</a3><a4>-7.979651080e-03</a4><a5>8.054992750e-06</a5><a6>-2.433307673e-09</a6><a7>-7.529233180e-14</a7><b1>3.712619060e+04</b1><b2>-5.244338900e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.713847410e+06</a1><a2>-5.929106660e+03</a2><a3>1.236127943e+01</a3><a4>1.314186993e-04</a4><a5>-1.362764431e-07</a5><a6>2.712655786e-11</a6><a7>-1.302066204e-15</a7><b1>6.266578970e+04</b1><b2>-5.818960590e+01</b2></T_range></specie><specie inp_file_name="C2H2,vinylidene"><identification><InChIKey>HSFWRNGVRCDJHI-UHFFFAOYSA-N</InChIKey><canonical_smiles>C#C</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>acetylene</IUPAC_name></identification><comment>Chen,1989. Osamura,1981.</comment><reference>g 5/01</reference><elements><element C="2" /><element H="2" /></elements><condensed>False</condensed><molecular_weight>0.02603728</molecular_weight><hf298.15>414788.368</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.466042239e+04</a1><a2>2.789475593e+02</a2><a3>1.276229776e+00</a3><a4>1.395015463e-02</a4><a5>-1.475702649e-05</a5><a6>9.476298110e-09</a6><a7>-2.567602217e-12</a7><b1>4.736110180e+04</b1><b2>1.658225704e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.940838725e+06</a1><a2>-6.892718150e+03</a2><a3>1.339582494e+01</a3><a4>-9.368968670e-04</a4><a5>1.470804368e-07</a5><a6>-1.220040365e-11</a6><a7>4.122391660e-16</a7><b1>9.107112930e+04</b1><b2>-6.337502930e+01</b2></T_range></specie><specie inp_file_name="C2H2Cl2"><identification><InChIKey>LGXVIGDEPROXKC-UHFFFAOYSA-N</InChIKey><canonical_smiles>C=C(Cl)Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>1,1-dichloroethene</IUPAC_name></identification><comment>Gurvich,1991 pt1 p130 pt2 p101. 1,1 cis & trans in equil.</comment><reference>tpis91</reference><elements><element C="2" /><element H="2" /><element Cl="2" /></elements><condensed>False</condensed><molecular_weight>0.09694328</molecular_weight><hf298.15>3410.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.203724514e+04</a1><a2>4.629031190e+02</a2><a3>-1.318184584e+00</a3><a4>3.930449600e-02</a4><a5>-4.851529020e-05</a5><a6>3.178411460e-08</a6><a7>-8.476938410e-12</a7><b1>-3.251806860e+03</b1><b2>3.489218118e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.561121185e+06</a1><a2>-7.358096350e+03</a2><a3>2.011869185e+01</a3><a4>-1.310978834e-03</a4><a5>2.411885716e-07</a5><a6>-2.384166740e-11</a6><a7>9.785415750e-16</a7><b1>4.122200900e+04</b1><b2>-9.550252712e+01</b2></T_range></specie><specie inp_file_name="C2H2FCl"><identification><InChIKey>FPBWSPZHCJXUBL-UHFFFAOYSA-N</InChIKey><canonical_smiles>C=C(F)Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>1-chloro-1-fluoroethene</IUPAC_name></identification><comment>Gurvich,1991 pt1 p150 pt2 p125. 1,1 cis & trans in equil.</comment><reference>tpis91</reference><elements><element C="2" /><element H="2" /><element F="1" /><element Cl="1" /></elements><condensed>False</condensed><molecular_weight>0.0804886832</molecular_weight><hf298.15>-165082.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>2.260154427e+05</a1><a2>-2.557428772e+03</a2><a3>9.236241200e+00</a3><a4>2.879408894e-02</a4><a5>-5.163975470e-05</a5><a6>4.252191030e-08</a6><a7>-1.311612713e-11</a7><b1>-8.180627840e+03</b1><b2>-3.234787581e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.527690968e+06</a1><a2>-6.689712230e+03</a2><a3>1.950553830e+01</a3><a4>-1.040920895e-03</a4><a5>1.780587502e-07</a5><a6>-1.633098515e-11</a6><a7>6.213465560e-16</a7><b1>1.705266451e+04</b1><b2>-9.194078301e+01</b2></T_range></specie><specie inp_file_name="C2H2F2"><identification><InChIKey>BQCIDUSAKPWEOX-UHFFFAOYSA-N</InChIKey><canonical_smiles>C=C(F)F</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>1,1-difluoroethene</IUPAC_name></identification><comment>Gurvich,1991 pt1 p101 pt2 p75. 1,1 cis & trans in equil.</comment><reference>tpis91</reference><elements><element C="2" /><element H="2" /><element F="2" /></elements><condensed>False</condensed><molecular_weight>0.06403408640000001</molecular_weight><hf298.15>-336400.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>5.702935810e+04</a1><a2>-6.762860400e+02</a2><a3>4.117411710e+00</a3><a4>1.822618762e-02</a4><a5>-6.861331540e-06</a5><a6>-3.295756740e-09</a6><a7>2.180965597e-12</a7><b1>-3.838650780e+04</b1><b2>1.487528685e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-8.227192750e+05</a1><a2>-2.915718833e+03</a2><a3>1.830163995e+01</a3><a4>-1.039630129e-03</a4><a5>2.546725128e-07</a5><a6>-3.157578705e-11</a6><a7>1.551540960e-15</a7><b1>-3.110028589e+04</b1><b2>-8.400834700e+01</b2></T_range></specie><specie inp_file_name="CH2CO,ketene"><identification><InChIKey>CCGKOQOJPYTBIH-UHFFFAOYSA-N</InChIKey><canonical_smiles>C=C=O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>ethenone</IUPAC_name></identification><comment>D0(H2C=CO): Ruscic,1999. Duncan,1987.</comment><reference>g 4/02</reference><elements><element C="2" /><element H="2" /><element O="1" /></elements><condensed>False</condensed><molecular_weight>0.04203668</molecular_weight><hf298.15>-49576.095</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>3.549598090e+04</a1><a2>-4.063062830e+02</a2><a3>3.718921920e+00</a3><a4>1.583501817e-02</a4><a5>-1.726195691e-05</a5><a6>1.157376959e-08</a6><a7>-3.305842630e-12</a7><b1>0.000000000e+00</b1><b2>-5.209992580e+03</b2><b3>3.839604220e+00</b3></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>2.013564915e+06</a1><a2>-8.200887460e+03</a2><a3>1.759694074e+01</a3><a4>-1.464544521e-03</a4><a5>2.695886969e-07</a5><a6>-2.665674840e-11</a6><a7>1.094204522e-15</a7><b1>0.000000000e+00</b1><b2>4.177776880e+04</b2><b3>-8.725803580e+01</b3></T_range></specie><specie inp_file_name="O(CH)2O"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Glyoxal. Dorofeeva,2001. Hubner,1997. Zeleznik,2002.</comment><reference>g 3/02</reference><elements><element C="2" /><element H="2" /><element O="2" /></elements><condensed>False</condensed><molecular_weight>0.05803608</molecular_weight><hf298.15>-212000.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-2.292459698e+05</a1><a2>3.724098050e+03</a2><a3>-1.893769993e+01</a3><a4>7.511744140e-02</a4><a5>-8.083855420e-05</a5><a6>4.358233190e-08</a6><a7>-9.364539330e-12</a7><b1>0.000000000e+00</b1><b2>-4.454486010e+04</b2><b3>1.327028760e+02</b3></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>2.678063593e+05</a1><a2>-4.436617480e+03</a2><a3>1.781696797e+01</a3><a4>-7.097173780e-04</a4><a5>1.272621878e-07</a5><a6>-1.237226678e-11</a6><a7>5.025057520e-16</a7><b1>0.000000000e+00</b1><b2>-4.479608280e+03</b2><b3>-8.156700640e+01</b3></T_range></specie><specie inp_file_name="HO(CO)2OH"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Oxalic Acid, HO-CO-CO-OH. Dorofeeva,2001.</comment><reference>srd 01</reference><elements><element C="2" /><element H="2" /><element O="4" /></elements><condensed>False</condensed><molecular_weight>0.09003488</molecular_weight><hf298.15>-731800.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>3.072513274e+04</a1><a2>-3.916174690e+02</a2><a3>3.178388640e+00</a3><a4>3.741289750e-02</a4><a5>-4.009753960e-05</a5><a6>2.288662646e-08</a6><a7>-5.386771550e-12</a7><b1>0.000000000e+00</b1><b2>-8.797942550e+04</b2><b3>9.751091370e+00</b3></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.805560696e+06</a1><a2>-9.240333150e+03</a2><a3>2.625742604e+01</a3><a4>-1.418458557e-03</a4><a5>2.526840574e-07</a5><a6>-2.521005198e-11</a6><a7>1.040036111e-15</a7><b1>0.000000000e+00</b1><b2>-3.754286460e+04</b2><b3>-1.326879788e+02</b3></T_range></specie><specie inp_file_name="C2H3,vinyl"><identification><InChIKey>ORGHESHFQPYLAO-UHFFFAOYSA-N</InChIKey><canonical_smiles>C=[CH]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>ethene</IUPAC_name></identification><comment>Radical. Ervin,1990.</comment><reference>g 7/01</reference><elements><element C="2" /><element H="3" /></elements><condensed>False</condensed><molecular_weight>0.027045220000000002</molecular_weight><hf298.15>299686.817</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-3.347896870e+04</a1><a2>1.064104103e+03</a2><a3>-6.403857060e+00</a3><a4>3.934515480e-02</a4><a5>-4.760046090e-05</a5><a6>3.170071350e-08</a6><a7>-8.633406430e-12</a7><b1>3.039122649e+04</b1><b2>5.809226180e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>2.718080093e+06</a1><a2>-1.030956829e+04</a2><a3>1.836579807e+01</a3><a4>-1.580131153e-03</a4><a5>2.680594939e-07</a5><a6>-2.439003999e-11</a6><a7>9.209096390e-16</a7><b1>9.765055590e+04</b1><b2>-9.760086860e+01</b2></T_range></specie><specie inp_file_name="CH2Br-COOH"><identification><InChIKey>KDPAWGWELVVRCH-UHFFFAOYSA-N</InChIKey><canonical_smiles>C(C(=O)O)Br</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>2-bromoacetic acid</IUPAC_name></identification><comment>Bromoacetic Acid. Dorofeeva,2001.</comment><reference>srd 01</reference><elements><element C="2" /><element H="3" /><element Br="1" /><element O="2" /></elements><condensed>False</condensed><molecular_weight>0.13894802</molecular_weight><hf298.15>-383500.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-7.832484790e+04</a1><a2>1.648865353e+03</a2><a3>-9.349533630e+00</a3><a4>6.879635440e-02</a4><a5>-8.374880770e-05</a5><a6>5.406038420e-08</a6><a7>-1.423159923e-11</a7><b1>0.000000000e+00</b1><b2>-5.541187620e+04</b2><b3>8.165423200e+01</b3></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>2.486349850e+06</a1><a2>-1.140256346e+04</a2><a3>2.756020307e+01</a3><a4>-1.843187010e-03</a4><a5>3.265392740e-07</a5><a6>-3.122663159e-11</a6><a7>1.223452495e-15</a7><b1>0.000000000e+00</b1><b2>1.837013127e+04</b2><b3>-1.420040888e+02</b3></T_range></specie><specie inp_file_name="C2H3Cl"><identification><InChIKey>BZHJMEDXRYGGRV-UHFFFAOYSA-N</InChIKey><canonical_smiles>C=CCl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>chloroethene</IUPAC_name></identification><comment>Hf:Manion,2002. Gurvich,1991 pt1 p129 pt2 p100.</comment><reference>g 5/02</reference><elements><element C="2" /><element H="3" /><element Cl="1" /></elements><condensed>False</condensed><molecular_weight>0.06249822</molecular_weight><hf298.15>22000.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.688896130e+04</a1><a2>8.545105550e+02</a2><a3>-6.514968110e+00</a3><a4>4.944682090e-02</a4><a5>-6.117756910e-05</a5><a6>4.067294030e-08</a6><a7>-1.101392662e-11</a7><b1>0.000000000e+00</b1><b2>-2.069321797e+03</b2><b3>5.928435530e+01</b3></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>2.456178566e+06</a1><a2>-1.047452720e+04</a2><a3>2.178736544e+01</a3><a4>-1.816893523e-03</a4><a5>3.296374030e-07</a5><a6>-3.214400710e-11</a6><a7>1.302256512e-15</a7><b1>0.000000000e+00</b1><b2>6.346231290e+04</b2><b3>-1.149890773e+02</b3></T_range></specie><specie inp_file_name="CH2Cl-COOH"><identification><InChIKey>FOCAUTSVDIKZOP-UHFFFAOYSA-N</InChIKey><canonical_smiles>C(C(=O)O)Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>2-chloroacetic acid</IUPAC_name></identification><comment>Chloroacetic Acid. Dorofeeva,2001.</comment><reference>srd 01</reference><elements><element C="2" /><element H="3" /><element Cl="1" /><element O="2" /></elements><condensed>False</condensed><molecular_weight>0.09449702</molecular_weight><hf298.15>-427600.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.122506431e+05</a1><a2>2.168288546e+03</a2><a3>-1.227791221e+01</a3><a4>7.514388060e-02</a4><a5>-9.083158490e-05</a5><a6>5.812363980e-08</a6><a7>-1.518247440e-11</a7><b1>0.000000000e+00</b1><b2>-6.314314500e+04</b2><b3>9.694389710e+01</b3></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>2.472881709e+06</a1><a2>-1.152275613e+04</a2><a3>2.766275288e+01</a3><a4>-1.886429520e-03</a4><a5>3.361772590e-07</a5><a6>-3.231268060e-11</a6><a7>1.273273865e-15</a7><b1>0.000000000e+00</b1><b2>1.370384800e+04</b2><b3>-1.443191119e+02</b3></T_range></specie><specie inp_file_name="C2H3F"><identification><InChIKey>XUCNUKMRBVNAPB-UHFFFAOYSA-N</InChIKey><canonical_smiles>C=CF</canonical_smiles><cas_number>75-02-5</cas_number><IUPAC_name>fluoroethene</IUPAC_name></identification><comment>Gurvich,1991 pt1 p100 pt2 p74.</comment><reference>tpis91</reference><elements><element C="2" /><element H="3" /><element F="1" /></elements><condensed>False</condensed><molecular_weight>0.0460436232</molecular_weight><hf298.15>-140100.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-4.579134960e+04</a1><a2>1.411541724e+03</a2><a3>-1.021500877e+01</a3><a4>5.775816570e-02</a4><a5>-7.080677490e-05</a5><a6>4.640850760e-08</a6><a7>-1.240455865e-11</a7><b1>-2.402788827e+04</b1><b2>7.860828390e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>2.478832340e+06</a1><a2>-1.075932307e+04</a2><a3>2.194796688e+01</a3><a4>-1.869114110e-03</a4><a5>3.395280670e-07</a5><a6>-3.315382930e-11</a6><a7>1.345081799e-15</a7><b1>4.563455550e+04</b1><b2>-1.180410277e+02</b2></T_range></specie><specie inp_file_name="CH3CN"><identification><InChIKey>WEVYAHXRMPXWCK-UHFFFAOYSA-N</InChIKey><canonical_smiles>CC#N</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>acetonitrile</IUPAC_name></identification><comment>Acetonitrile. TRC(6/93) w9270. Koga,1984. Pavone,1990.</comment><reference>g 9/00</reference><elements><element C="2" /><element H="3" /><element N="1" /></elements><condensed>False</condensed><molecular_weight>0.041051920000000006</molecular_weight><hf298.15>66430.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-9.965988380e+04</a1><a2>1.739278534e+03</a2><a3>-7.898420820e+00</a3><a4>4.294894320e-02</a4><a5>-4.499973880e-05</a5><a6>2.717105086e-08</a6><a7>-7.026117590e-12</a7><b1>-1.461161333e+03</b1><b2>6.852508274e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>2.923231393e+06</a1><a2>-1.233792258e+04</a2><a3>2.324477222e+01</a3><a4>-2.411565845e-03</a4><a5>4.622157170e-07</a5><a6>-4.740601240e-11</a6><a7>2.010639467e-15</a7><b1>8.058565550e+04</b1><b2>-1.292249102e+02</b2></T_range></specie><specie inp_file_name="CH3CO,acetyl"><identification><InChIKey>TUCNEACPLKLKNU-UHFFFAOYSA-N</InChIKey><canonical_smiles>C[C]=O</canonical_smiles><cas_number>3170-69-2</cas_number><IUPAC_name>ethanone</IUPAC_name></identification><comment>Radical. Hf:Niiranen,1992. Nimlos,1989.</comment><reference>g 6/96</reference><elements><element C="2" /><element H="3" /><element O="1" /></elements><condensed>False</condensed><molecular_weight>0.04304462</molecular_weight><hf298.15>-10000.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-7.193894130e+04</a1><a2>1.464465167e+03</a2><a3>-6.632276130e+00</a3><a4>4.108468380e-02</a4><a5>-4.226256640e-05</a5><a6>2.485766819e-08</a6><a7>-6.292558480e-12</a7><b1>-9.309370810e+03</b1><b2>6.422897620e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>2.485388150e+06</a1><a2>-1.120714204e+04</a2><a3>2.277525438e+01</a3><a4>-2.314260550e-03</a4><a5>4.536189170e-07</a5><a6>-4.742635550e-11</a6><a7>2.044663903e-15</a7><b1>6.380088410e+04</b1><b2>-1.215350925e+02</b2></T_range></specie><specie inp_file_name="C2H4"><identification><InChIKey>VGGSQFUCUMXWEO-UHFFFAOYSA-N</InChIKey><canonical_smiles>C=C</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>ethene</IUPAC_name></identification><comment>TRC(4/88) w2600. Chao,1975. Knippers,1985.</comment><reference>g 1/00</reference><elements><element C="2" /><element H="4" /></elements><condensed>False</condensed><molecular_weight>0.028053159999999997</molecular_weight><hf298.15>52500.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.163605836e+05</a1><a2>2.554851510e+03</a2><a3>-1.609746428e+01</a3><a4>6.625779320e-02</a4><a5>-7.885081860e-05</a5><a6>5.125224820e-08</a6><a7>-1.370340031e-11</a7><b1>-6.176191070e+03</b1><b2>1.093338343e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>3.408763670e+06</a1><a2>-1.374847903e+04</a2><a3>2.365898074e+01</a3><a4>-2.423804419e-03</a4><a5>4.431395660e-07</a5><a6>-4.352683390e-11</a6><a7>1.775410633e-15</a7><b1>8.820429380e+04</b1><b2>-1.371278108e+02</b2></T_range></specie><specie inp_file_name="C2H4O,ethylen-o"><identification><InChIKey>IAYPIBMASNFSPL-UHFFFAOYSA-N</InChIKey><canonical_smiles>C1CO1</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>oxirane</IUPAC_name></identification><comment>Ethylene Oxide. Shimanouchi,1972. Chase,1998 9/65.</comment><reference>g 8/88</reference><elements><element C="2" /><element H="4" /><element O="1" /></elements><condensed>False</condensed><molecular_weight>0.04405256</molecular_weight><hf298.15>-52634.720</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.728233345e+05</a1><a2>3.816678800e+03</a2><a3>-2.629851977e+01</a3><a4>1.014103162e-01</a4><a5>-1.240578373e-04</a5><a6>8.034040350e-08</a6><a7>-2.120942544e-11</a7><b1>-2.437519333e+04</b1><b2>1.654885056e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>3.151809957e+06</a1><a2>-1.423646316e+04</a2><a3>2.708080476e+01</a3><a4>-2.606238456e-03</a4><a5>4.853891930e-07</a5><a6>-4.852144760e-11</a6><a7>2.011778721e-15</a7><b1>7.662561440e+04</b1><b2>-1.563952401e+02</b2></T_range></specie><specie inp_file_name="CH3CHO,ethanal"><identification><InChIKey>IKHGUXGNUITLKF-UHFFFAOYSA-N</InChIKey><canonical_smiles>CC=O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>acetaldehyde</IUPAC_name></identification><comment>Hf:TRC (6/78) w5300. Chao,1986.</comment><reference>g 8/88</reference><elements><element C="2" /><element H="4" /><element O="1" /></elements><condensed>False</condensed><molecular_weight>0.04405256</molecular_weight><hf298.15>-166190.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.373904369e+05</a1><a2>2.559937679e+03</a2><a3>-1.340470172e+01</a3><a4>5.922128620e-02</a4><a5>-6.240006050e-05</a5><a6>3.703324410e-08</a6><a7>-9.342697410e-12</a7><b1>-3.318731310e+04</b1><b2>1.007417652e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>3.321176590e+06</a1><a2>-1.449719957e+04</a2><a3>2.708421279e+01</a3><a4>-2.879320054e-03</a4><a5>5.556309920e-07</a5><a6>-5.732674880e-11</a6><a7>2.443965239e-15</a7><b1>6.507755640e+04</b1><b2>-1.536236027e+02</b2></T_range></specie><specie inp_file_name="CH3COOH"><identification><InChIKey>QTBSBXVTEAMEQO-UHFFFAOYSA-N</InChIKey><canonical_smiles>CC(=O)O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>acetic acid</IUPAC_name></identification><comment>Acetic Acid. Chao,1978.</comment><reference>g 6/00</reference><elements><element C="2" /><element H="4" /><element O="2" /></elements><condensed>False</condensed><molecular_weight>0.06005196</molecular_weight><hf298.15>-432249.040</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-3.219191980e+04</a1><a2>1.196329795e+03</a2><a3>-8.705824020e+00</a3><a4>5.696257590e-02</a4><a5>-5.757887160e-05</a5><a6>3.352115220e-08</a6><a7>-8.614438230e-12</a7><b1>-5.840112870e+04</b1><b2>7.282413920e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>2.103514223e+06</a1><a2>-1.467822192e+04</a2><a3>3.382802830e+01</a3><a4>-5.694858680e-03</a4><a5>1.343221353e-06</a5><a6>-1.606041158e-10</a6><a7>7.652794250e-15</a7><b1>2.924228407e+04</b1><b2>-1.935278850e+02</b2></T_range></specie><specie inp_file_name="OHCH2COOH"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Glycolic Acid. Dorofeeva,2001.</comment><reference>srd 01</reference><elements><element C="2" /><element H="4" /><element O="3" /></elements><condensed>False</condensed><molecular_weight>0.07605136</molecular_weight><hf298.15>-583000.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-3.138978580e+05</a1><a2>5.693068770e+03</a2><a3>-3.685160290e+01</a3><a4>1.563502811e-01</a4><a5>-2.039487993e-04</a5><a6>1.340232412e-07</a6><a7>-3.509130260e-11</a7><b1>0.000000000e+00</b1><b2>-9.801640090e+04</b2><b3>2.269492355e+02</b3></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.946628253e+06</a1><a2>-9.804020200e+03</a2><a3>2.844111243e+01</a3><a4>-7.876404750e-04</a4><a5>6.416275950e-08</a5><a6>1.069321262e-12</a6><a7>-3.237178280e-16</a7><b1>0.000000000e+00</b1><b2>-1.694650470e+04</b2><b3>-1.474109363e+02</b3></T_range></specie><specie inp_file_name="C2H5"><identification><InChIKey>QUPDWYMUPZLYJZ-UHFFFAOYSA-N</InChIKey><canonical_smiles>C[CH2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>ethane</IUPAC_name></identification><comment>Chen,1990.</comment><reference>g 7/00</reference><elements><element C="2" /><element H="5" /></elements><condensed>False</condensed><molecular_weight>0.0290611</molecular_weight><hf298.15>118658.240</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.411312551e+05</a1><a2>2.714285088e+03</a2><a3>-1.534977725e+01</a3><a4>6.451672580e-02</a4><a5>-7.259143960e-05</a5><a6>4.599116010e-08</a6><a7>-1.218367535e-11</a7><b1>5.981418840e+02</b1><b2>1.090966520e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>4.169220400e+06</a1><a2>-1.662982142e+04</a2><a3>2.795442134e+01</a3><a4>-3.051715761e-03</a4><a5>5.685160040e-07</a5><a6>-5.682863600e-11</a6><a7>2.355648561e-15</a7><b1>1.137010087e+05</b1><b2>-1.639357995e+02</b2></T_range></specie><specie inp_file_name="C2H5Br"><identification><InChIKey>RDHPKYGYEGBMSE-UHFFFAOYSA-N</InChIKey><canonical_smiles>CCBr</canonical_smiles><cas_number>74-96-4</cas_number><IUPAC_name>bromoethane</IUPAC_name></identification><comment>Bromoethane. TRC(6/79) tuvw7650.</comment><reference>n 6/79</reference><elements><element C="2" /><element H="5" /><element Br="1" /></elements><condensed>False</condensed><molecular_weight>0.10896510000000001</molecular_weight><hf298.15>-63600.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.374172662e+05</a1><a2>2.861429418e+03</a2><a3>-1.824108956e+01</a3><a4>8.566230600e-02</a4><a5>-1.047174473e-04</a5><a6>6.906074570e-08</a6><a7>-1.862276022e-11</a7><b1>-2.198480205e+04</b1><b2>1.258435579e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>2.378649403e+06</a1><a2>-1.267033647e+04</a2><a3>2.777558646e+01</a3><a4>-2.010898783e-03</a4><a5>4.436083410e-07</a5><a6>-5.348198090e-11</a6><a7>2.639835850e-15</a7><b1>6.414062050e+04</b1><b2>-1.528277085e+02</b2></T_range></specie><specie inp_file_name="C2H6"><identification><InChIKey>OTMSDBZUPAUEDD-UHFFFAOYSA-N</InChIKey><canonical_smiles>CC</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>ethane</IUPAC_name></identification><comment>Ethane. Pamidimukkala,1982.</comment><reference>g 7/00</reference><elements><element C="2" /><element H="6" /></elements><condensed>False</condensed><molecular_weight>0.030069040000000002</molecular_weight><hf298.15>-83851.544</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.862044161e+05</a1><a2>3.406191860e+03</a2><a3>-1.951705092e+01</a3><a4>7.565835590e-02</a4><a5>-8.204173220e-05</a5><a6>5.061135800e-08</a6><a7>-1.319281992e-11</a7><b1>-2.702932890e+04</b1><b2>1.298140496e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>5.025782130e+06</a1><a2>-2.033022397e+04</a2><a3>3.322552930e+01</a3><a4>-3.836703410e-03</a4><a5>7.238405860e-07</a5><a6>-7.319182500e-11</a6><a7>3.065468699e-15</a7><b1>1.115963950e+05</b1><b2>-2.039410584e+02</b2></T_range></specie><specie inp_file_name="CH3N2CH3"><identification><InChIKey>OQLZINXFSUDMHM-UHFFFAOYSA-N</InChIKey><canonical_smiles>CC(=N)N</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>ethanimidamide</IUPAC_name></identification><comment>Azomethane. Pamidumukkala,1982.</comment><reference>g 8/88</reference><elements><element C="2" /><element H="6" /><element N="2" /></elements><condensed>False</condensed><molecular_weight>0.05808244</molecular_weight><hf298.15>148699.360</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-3.738492320e+05</a1><a2>5.880453130e+03</a2><a3>-2.986398524e+01</a3><a4>1.087380861e-01</a4><a5>-1.167950177e-04</a5><a6>6.916894890e-08</a6><a7>-1.719950055e-11</a7><b1>-1.189984084e+04</b1><b2>1.948246321e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>4.993357090e+06</a1><a2>-2.160996161e+04</a2><a3>3.964449920e+01</a3><a4>-4.196450110e-03</a4><a5>8.023361980e-07</a5><a6>-8.212260020e-11</a6><a7>3.477237440e-15</a7><b1>1.449962610e+05</b1><b2>-2.372109745e+02</b2></T_range></specie><specie inp_file_name="C2H5OH"><identification><InChIKey>LFQSCWFLJHTTHZ-UHFFFAOYSA-N</InChIKey><canonical_smiles>CCO</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>ethanol</IUPAC_name></identification><comment>Hf:TRC(6/87) w5030. Chao,1986.</comment><reference>g 8/88</reference><elements><element C="2" /><element H="6" /><element O="1" /></elements><condensed>False</condensed><molecular_weight>0.04606844</molecular_weight><hf298.15>-234950.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-2.342791392e+05</a1><a2>4.479180550e+03</a2><a3>-2.744817302e+01</a3><a4>1.088679162e-01</a4><a5>-1.305309334e-04</a5><a6>8.437346400e-08</a6><a7>-2.234559017e-11</a7><b1>-5.022229000e+04</b1><b2>1.764829211e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>4.694817650e+06</a1><a2>-1.929798213e+04</a2><a3>3.447584040e+01</a3><a4>-3.236165980e-03</a4><a5>5.784947720e-07</a5><a6>-5.564600270e-11</a6><a7>2.226226400e-15</a7><b1>8.601622710e+04</b1><b2>-2.034801732e+02</b2></T_range></specie><specie inp_file_name="CH3OCH3"><identification><InChIKey>LFQSCWFLJHTTHZ-UHFFFAOYSA-N</InChIKey><canonical_smiles>CCO</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>ethanol</IUPAC_name></identification><comment>Dimethyl ether. Hf:TRC(6/91) w6040. Chao,1986.</comment><reference>g 7/00</reference><elements><element C="2" /><element H="6" /><element O="1" /></elements><condensed>False</condensed><molecular_weight>0.04606844</molecular_weight><hf298.15>-184110.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-2.693103242e+05</a1><a2>4.300709710e+03</a2><a3>-2.152788028e+01</a3><a4>8.131833390e-02</a4><a5>-8.295671320e-05</a5><a6>4.801911510e-08</a6><a7>-1.188699808e-11</a7><b1>-4.410237090e+04</b1><b2>1.467666934e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>4.933577190e+06</a1><a2>-2.083094065e+04</a2><a3>3.629050610e+01</a3><a4>-4.108351640e-03</a4><a5>7.903220310e-07</a5><a6>-8.131435630e-11</a6><a7>3.458166110e-15</a7><b1>1.013301012e+05</b1><b2>-2.185447466e+02</b2></T_range></specie><specie inp_file_name="CH3O2CH3"><identification><InChIKey>LYCAIKOWRPUZTN-UHFFFAOYSA-N</InChIKey><canonical_smiles>C(CO)O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>ethane-1,2-diol</IUPAC_name></identification><comment>Dimethyl peroxide, CH3-O-O-CH3. Dorofeeva,2001.</comment><reference>srd 01</reference><elements><element C="2" /><element H="6" /><element O="2" /></elements><condensed>False</condensed><molecular_weight>0.06206784</molecular_weight><hf298.15>-125500.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-2.285784757e+05</a1><a2>3.820142570e+03</a2><a3>-1.976647823e+01</a3><a4>8.840743860e-02</a4><a5>-9.641284560e-05</a5><a6>5.907200830e-08</a6><a7>-1.526491225e-11</a7><b1>0.000000000e+00</b1><b2>-3.492016960e+04</b2><b3>1.386769151e+02</b3></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>5.316368470e+06</a1><a2>-2.221267874e+04</a2><a3>4.034335090e+01</a3><a4>-4.612748090e-03</a4><a5>8.792987200e-07</a5><a6>-9.068221190e-11</a6><a7>3.865664890e-15</a7><b1>0.000000000e+00</b1><b2>1.161596028e+05</b2><b3>-2.395296055e+02</b3></T_range></specie><specie inp_file_name="CCN"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Hf:Gurvich,1991 pt1 p222. Jacox,1998 p173.</comment><reference>g 7/00</reference><elements><element C="2" /><element N="1" /></elements><condensed>False</condensed><molecular_weight>0.0380281</molecular_weight><hf298.15>804596.472</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.696281385e+04</a1><a2>9.837891630e+01</a2><a3>3.812662940e+00</a3><a4>5.346894230e-03</a4><a5>-2.473598508e-06</a5><a6>-3.730564220e-10</a6><a7>4.481756860e-13</a7><b1>9.480072570e+04</b1><b2>5.553165572e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>7.948674890e+04</a1><a2>-1.344786906e+03</a2><a3>8.309986460e+00</a3><a4>-2.220105361e-04</a4><a5>1.753683113e-08</a5><a6>2.545998719e-12</a6><a7>-2.645649117e-16</a7><b1>1.023187495e+05</b1><b2>-2.259793940e+01</b2></T_range></specie><specie inp_file_name="CNC"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>CNC radical. Gurvich,1991 pt1 p221 pt2 p209.</comment><reference>tpis91</reference><elements><element C="2" /><element N="1" /></elements><condensed>False</condensed><molecular_weight>0.0380281</molecular_weight><hf298.15>684914.559</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-7.075192710e+04</a1><a2>1.007523898e+03</a2><a3>-1.576789967e+00</a3><a4>2.052532634e-02</a4><a5>-2.278935009e-05</a5><a6>1.283362343e-08</a6><a7>-2.933174091e-12</a7><b1>7.613324850e+04</b1><b2>3.487094132e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-9.031313560e+04</a1><a2>-8.313236500e+02</a2><a3>8.114735950e+00</a3><a4>-2.447691991e-04</a4><a5>5.397508770e-08</a5><a6>-6.183984860e-12</a6><a7>2.865172411e-16</a7><b1>8.451833600e+04</b1><b2>-2.102937255e+01</b2></T_range></specie><specie inp_file_name="OCCN"><identification><InChIKey>WYHQSNCSDYDGRE-UHFFFAOYSA-N</InChIKey><canonical_smiles>C(#N)C#[O+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>cyanomethylidyneoxidanium</IUPAC_name></identification><comment>Cyanooxomethyl radical. Dorofeeva,2001.</comment><reference>srd 01</reference><elements><element C="2" /><element N="1" /><element O="1" /></elements><condensed>False</condensed><molecular_weight>0.054027500000000006</molecular_weight><hf298.15>210000.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>2.428801128e+04</a1><a2>-5.525864490e+02</a2><a3>8.587838090e+00</a3><a4>-3.379387570e-03</a4><a5>1.119841795e-05</a5><a6>-1.008408053e-08</a6><a7>3.086448751e-12</a7><b1>0.000000000e+00</b1><b2>2.599620066e+04</b2><b3>-1.659592428e+01</b3></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>9.359095680e+05</a1><a2>-4.441073340e+03</a2><a3>1.368958451e+01</a3><a4>-1.647526929e-03</a4><a5>3.819863520e-07</a5><a6>-3.945148580e-11</a6><a7>1.509592679e-15</a7><b1>0.000000000e+00</b1><b2>4.951216910e+04</b2><b3>-5.417083590e+01</b3></T_range></specie><specie inp_file_name="C2N2"><identification><InChIKey>JMANVNJQNLATNU-UHFFFAOYSA-N</InChIKey><canonical_smiles>C(#N)C#N</canonical_smiles><cas_number>460-19-5</cas_number><IUPAC_name>oxalonitrile</IUPAC_name></identification><comment>Gurvich,1979 pt1 p195 pt2 p220.</comment><reference>tpis79</reference><elements><element C="2" /><element N="2" /></elements><condensed>False</condensed><molecular_weight>0.0520348</molecular_weight><hf298.15>309100.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.082404484e+05</a1><a2>-1.928137871e+03</a2><a3>1.553891898e+01</a3><a4>-1.821159329e-02</a4><a5>2.778840840e-05</a5><a6>-1.899434373e-08</a6><a7>4.949677720e-12</a7><b1>4.449097590e+04</b1><b2>-6.090964741e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>7.934423720e+05</a1><a2>-3.997376270e+03</a2><a3>1.314497430e+01</a3><a4>-8.747782000e-04</a4><a5>2.059156733e-07</a5><a6>-2.200469389e-11</a6><a7>9.974485770e-16</a7><b1>5.863632300e+04</b1><b2>-5.473201251e+01</b2></T_range></specie><specie inp_file_name="C2O"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Hf:Gurvich,1991 pt1 p31. Jacox,1998.</comment><reference>g 8/00</reference><elements><element C="2" /><element O="1" /></elements><condensed>False</condensed><molecular_weight>0.0400208</molecular_weight><hf298.15>291038.666</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-3.959929420e+03</a1><a2>-1.117516348e+02</a2><a3>4.593960060e+00</a3><a4>3.710602020e-03</a4><a5>-7.014760180e-07</a5><a6>-1.371129839e-09</a6><a7>7.123854000e-13</a7><b1>3.410109740e+04</b1><b2>4.622805600e-01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-6.348056590e+05</a1><a2>1.184133091e+03</a2><a3>4.879173340e+00</a3><a4>1.757538773e-03</a4><a5>-3.957552270e-07</a5><a6>3.989179940e-11</a6><a7>-1.546043135e-15</a7><b1>2.489803938e+04</b1><b2>9.809040590e-01</b2></T_range></specie><specie inp_file_name="C2S2"><identification><InChIKey>JFSYYGOHKMDXOA-UHFFFAOYSA-N</InChIKey><canonical_smiles>C(=C=S)=S</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>ethene-1,2-dithione</IUPAC_name></identification><comment>TRC(6/01) p8150, tuvw-8150.</comment><reference>n 6/01</reference><elements><element C="2" /><element S="2" /></elements><condensed>False</condensed><molecular_weight>0.08815139999999999</molecular_weight><hf298.15>376660.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>4.192544750e+04</a1><a2>-9.776562320e+02</a2><a3>1.085003376e+01</a3><a4>-4.423407890e-03</a4><a5>1.067980519e-05</a5><a6>-8.781148100e-09</a6><a7>2.538862361e-12</a7><b1>4.789590500e+04</b1><b2>-3.097681854e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>8.629908790e+05</a1><a2>-4.325413740e+03</a2><a3>1.460010162e+01</a3><a4>-1.460638433e-03</a4><a5>2.778253364e-07</a5><a6>-2.755649209e-11</a6><a7>1.105350739e-15</a7><b1>6.839748750e+04</b1><b2>-5.986379853e+01</b2></T_range></specie><specie inp_file_name="C3"><identification><InChIKey>NVLRFXKSQQPKAD-UHFFFAOYSA-N</InChIKey><canonical_smiles>[C]=C=[C]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>propa-1,2-diene</IUPAC_name></identification><comment>Gurvich,1979 pt2 p23.</comment><reference>tpis79</reference><elements><element C="3" /></elements><condensed>False</condensed><molecular_weight>0.0360321</molecular_weight><hf298.15>839948.646</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-4.354614480e+04</a1><a2>6.660183220e+02</a2><a3>1.451033157e+00</a3><a4>7.434513120e-03</a4><a5>-3.810152990e-06</a5><a6>-2.336961396e-11</a6><a7>4.407054530e-13</a7><b1>9.635170200e+04</b1><b2>2.025173297e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>4.508098930e+06</a1><a2>-1.461033761e+04</a2><a3>2.281974644e+01</a3><a4>-8.544340610e-03</a4><a5>2.146069341e-06</a5><a6>-2.103867761e-10</a6><a7>6.351589060e-15</a7><b1>1.911976065e+05</b1><b2>-1.271869723e+02</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>1.539589859e+08</a1><a2>-2.089057498e+05</a2><a3>7.681111210e+01</a3><a4>-8.939056190e-03</a4><a5>5.594033240e-07</a5><a6>-1.743774353e-11</a6><a7>2.181541208e-16</a7><b1>1.650801763e+06</b1><b2>-6.081693320e+02</b2></T_range></specie><specie inp_file_name="C3H3,1-propynl"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>TRC(4/98) tuvw3140.</comment><reference>n 4/98</reference><elements><element C="3" /><element H="3" /></elements><condensed>False</condensed><molecular_weight>0.03905592</molecular_weight><hf298.15>450000.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-6.505859350e+04</a1><a2>1.350858921e+03</a2><a3>-5.825433930e+00</a3><a4>3.756610480e-02</a4><a5>-3.734903340e-05</a5><a6>2.117676603e-08</a6><a7>-5.139113250e-12</a7><b1>4.656510530e+04</b1><b2>5.781477550e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>4.550654870e+06</a1><a2>-1.640574172e+04</a2><a3>2.712605991e+01</a3><a4>-4.474600380e-03</a4><a5>1.037712415e-06</a5><a6>-1.250211369e-10</a6><a7>6.026582050e-15</a7><b1>1.534087662e+05</b1><b2>-1.565931809e+02</b2></T_range></specie><specie inp_file_name="C3H3,2-propynl"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>TRC(4/98) tuvw3140.</comment><reference>n 4/98</reference><elements><element C="3" /><element H="3" /></elements><condensed>False</condensed><molecular_weight>0.03905592</molecular_weight><hf298.15>331800.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>6.188578320e+04</a1><a2>-8.909578670e+02</a2><a3>6.347558820e+00</a3><a4>1.633173115e-02</a4><a5>-1.949975695e-05</a5><a6>1.417349778e-08</a6><a7>-4.199866320e-12</a7><b1>4.271785830e+04</b1><b2>-1.231400729e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>2.989723833e+06</a1><a2>-1.118954446e+04</a2><a3>2.222225052e+01</a3><a4>-2.068106902e-03</a4><a5>4.121883640e-07</a5><a6>-4.438980590e-11</a6><a7>1.970824701e-15</a7><b1>1.061878289e+05</b1><b2>-1.186744583e+02</b2></T_range></specie><specie inp_file_name="C3H4,allene"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>TRC(4/84) w2750. Shimanouchi,1972 p115. Butcher,1973a.</comment><reference>g 2/00</reference><elements><element C="3" /><element H="4" /></elements><condensed>False</condensed><molecular_weight>0.04006386</molecular_weight><hf298.15>190920.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.645155745e+04</a1><a2>9.629457810e+02</a2><a3>-7.532326680e+00</a3><a4>5.518219110e-02</a4><a5>-6.733585120e-05</a5><a6>4.532709050e-08</a6><a7>-1.251837614e-11</a7><b1>1.772494269e+04</b1><b2>6.151969760e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>3.479355100e+06</a1><a2>-1.430412453e+04</a2><a3>2.702534756e+01</a3><a4>-2.557412369e-03</a4><a5>4.706646750e-07</a5><a6>-4.651688070e-11</a6><a7>1.908219044e-15</a7><b1>1.072312354e+05</b1><b2>-1.548846158e+02</b2></T_range></specie><specie inp_file_name="C3H4,propyne"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Hf:TRC(10/93) w3040. Trambarulo,1950. Shimanouchi,1972.</comment><reference>g 1/00</reference><elements><element C="3" /><element H="4" /></elements><condensed>False</condensed><molecular_weight>0.04006386</molecular_weight><hf298.15>184900.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-3.563884400e+04</a1><a2>8.328139100e+02</a2><a3>-4.073759440e+00</a3><a4>4.113929610e-02</a4><a5>-4.470444950e-05</a5><a6>2.847458197e-08</a6><a7>-7.695298240e-12</a7><b1>1.710206236e+04</b1><b2>4.516720950e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>3.710441420e+06</a1><a2>-1.489145507e+04</a2><a3>2.732397127e+01</a3><a4>-2.645264770e-03</a4><a5>4.858300350e-07</a5><a6>-4.794128480e-11</a6><a7>1.964338121e-15</a7><b1>1.104898462e+05</b1><b2>-1.567992462e+02</b2></T_range></specie><specie inp_file_name="C3H4,cyclo-"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Dorofeeva,1986.</comment><reference>g 5/90</reference><elements><element C="3" /><element H="4" /></elements><condensed>False</condensed><molecular_weight>0.04006386</molecular_weight><hf298.15>277100.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.969520627e+04</a1><a2>1.505379338e+03</a2><a3>-1.418206573e+01</a3><a4>7.642632960e-02</a4><a5>-9.765583660e-05</a5><a6>6.612003820e-08</a6><a7>-1.811251145e-11</a7><b1>2.625631782e+04</b1><b2>9.604631890e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>3.168399580e+06</a1><a2>-1.371044699e+04</a2><a3>2.664303646e+01</a3><a4>-2.420408050e-03</a4><a5>4.427994130e-07</a5><a6>-4.351820200e-11</a6><a7>1.775948955e-15</a7><b1>1.133683702e+05</b1><b2>-1.522619086e+02</b2></T_range></specie><specie inp_file_name="C3H5,allyl"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Radical. Burcat,2001 p58.</comment><reference>g 3/01</reference><elements><element C="3" /><element H="5" /></elements><condensed>False</condensed><molecular_weight>0.041071800000000006</molecular_weight><hf298.15>163594.400</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-4.315996140e+04</a1><a2>1.441600907e+03</a2><a3>-1.197014426e+01</a3><a4>7.319796460e-02</a4><a5>-9.066357850e-05</a5><a6>6.077059450e-08</a6><a7>-1.658826363e-11</a7><b1>1.232157460e+04</b1><b2>8.563173240e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>4.094570590e+06</a1><a2>-1.676676186e+04</a2><a3>3.123006342e+01</a3><a4>-2.885449982e-03</a4><a5>5.211343540e-07</a5><a6>-5.058284220e-11</a6><a7>2.039932554e-15</a7><b1>1.185720481e+05</b1><b2>-1.823070197e+02</b2></T_range></specie><specie inp_file_name="C3H6,propylene"><identification><InChIKey>LVZWSLJZHVFIQJ-UHFFFAOYSA-N</InChIKey><canonical_smiles>C1CC1</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>cyclopropane</IUPAC_name></identification><comment>Hf:TRC(4/88) w2600. Chao,1975.</comment><reference>g 2/00</reference><elements><element C="3" /><element H="6" /></elements><condensed>False</condensed><molecular_weight>0.042079740000000004</molecular_weight><hf298.15>20000.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.912462174e+05</a1><a2>3.542074240e+03</a2><a3>-2.114878626e+01</a3><a4>8.901484790e-02</a4><a5>-1.001429154e-04</a5><a6>6.267959390e-08</a6><a7>-1.637870781e-11</a7><b1>-1.529961824e+04</b1><b2>1.407641382e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>5.017620340e+06</a1><a2>-2.086084035e+04</a2><a3>3.644156340e+01</a3><a4>-3.881191170e-03</a4><a5>7.278677190e-07</a5><a6>-7.321204500e-11</a6><a7>3.052176369e-15</a7><b1>1.261245355e+05</b1><b2>-2.195715757e+02</b2></T_range></specie><specie inp_file_name="C3H6,cyclo-"><identification><InChIKey>LVZWSLJZHVFIQJ-UHFFFAOYSA-N</InChIKey><canonical_smiles>C1CC1</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>cyclopropane</IUPAC_name></identification><comment>Dorofeeva,1986. Butcher,1973b.</comment><reference>g 1/00</reference><elements><element C="3" /><element H="6" /></elements><condensed>False</condensed><molecular_weight>0.042079740000000004</molecular_weight><hf298.15>53300.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.565787770e+05</a1><a2>4.111129870e+03</a2><a3>-3.233447460e+01</a3><a4>1.306337881e-01</a4><a5>-1.645563833e-04</a5><a6>1.095708326e-07</a6><a7>-2.956394783e-11</a7><b1>-1.245271686e+04</b1><b2>1.931559109e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>4.785000670e+06</a1><a2>-2.042118175e+04</a2><a3>3.631495780e+01</a3><a4>-3.561319440e-03</a4><a5>6.476241240e-07</a5><a6>-6.328430100e-11</a6><a7>2.568705857e-15</a7><b1>1.268274126e+05</b1><b2>-2.223729099e+02</b2></T_range></specie><specie inp_file_name="C3H6O,propylox"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>TRC(6/84) w6150. Swalen,1957. Oetting,1964. Villarreal,1975.</comment><reference>g 6/01</reference><elements><element C="3" /><element H="6" /><element O="1" /></elements><condensed>False</condensed><molecular_weight>0.05807914</molecular_weight><hf298.15>-93720.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-2.292808804e+05</a1><a2>4.495750540e+03</a2><a3>-2.941117945e+01</a3><a4>1.213113827e-01</a4><a5>-1.440060464e-04</a5><a6>9.202051750e-08</a6><a7>-2.416278343e-11</a7><b1>-3.317697210e+04</b1><b2>1.846878218e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>4.789729990e+06</a1><a2>-2.106895971e+04</a2><a3>3.954647730e+01</a3><a4>-3.910929980e-03</a4><a5>7.325531510e-07</a5><a6>-7.357085970e-11</a6><a7>3.060618500e-15</a7><b1>1.120344540e+05</b1><b2>-2.372004192e+02</b2></T_range></specie><specie inp_file_name="C3H6O,acetone"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Chao,1986. Chao,1976.</comment><reference>g 6/97</reference><elements><element C="3" /><element H="6" /><element O="1" /></elements><condensed>False</condensed><molecular_weight>0.05807914</molecular_weight><hf298.15>-217149.600</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-2.277802525e+05</a1><a2>4.215280010e+03</a2><a3>-2.415785316e+01</a3><a4>9.907483320e-02</a4><a5>-1.084940903e-04</a5><a6>6.583355960e-08</a6><a7>-1.676046146e-11</a7><b1>-4.726243940e+04</b1><b2>1.607926432e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>5.001601920e+06</a1><a2>-2.170155542e+04</a2><a3>3.964493990e+01</a3><a4>-4.179945050e-03</a4><a5>7.962429530e-07</a5><a6>-8.122558050e-11</a6><a7>3.428780960e-15</a7><b1>1.015145028e+05</b1><b2>-2.368533477e+02</b2></T_range></specie><specie inp_file_name="C3H6O,propanal"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Hf:TRC(6/78) w5300. Chao,1986. Frankiss,1974.</comment><reference>g 1/02</reference><elements><element C="3" /><element H="6" /><element O="1" /></elements><condensed>False</condensed><molecular_weight>0.05807914</molecular_weight><hf298.15>-186000.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-2.655781702e+05</a1><a2>4.250640450e+03</a2><a3>-2.109249262e+01</a3><a4>9.194256120e-02</a4><a5>-1.004653044e-04</a5><a6>6.133314820e-08</a6><a7>-1.576298535e-11</a7><b1>0.000000000e+00</b1><b2>-4.450371050e+04</b2><b3>1.456678605e+02</b3></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>4.830933490e+06</a1><a2>-2.075451152e+04</a2><a3>3.924855180e+01</a3><a4>-4.095514000e-03</a4><a5>7.881692160e-07</a5><a6>-8.107684080e-11</a6><a7>3.437105430e-15</a7><b1>0.000000000e+00</b1><b2>9.944937880e+04</b2><b3>-2.316690627e+02</b3></T_range></specie><specie inp_file_name="C3H7,n-propyl"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Radical. Tsang,1985.</comment><reference>g 7/01</reference><elements><element C="3" /><element H="7" /></elements><condensed>False</condensed><molecular_weight>0.043087679999999996</molecular_weight><hf298.15>100500.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.895337073e+05</a1><a2>3.949517260e+03</a2><a3>-2.606216089e+01</a3><a4>1.121920441e-01</a4><a5>-1.365292213e-04</a5><a6>9.023662720e-08</a6><a7>-2.441056990e-11</a7><b1>-7.227877440e+03</b1><b2>1.673705556e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>5.646512940e+06</a1><a2>-2.291087136e+04</a2><a3>3.987275180e+01</a3><a4>-4.106232870e-03</a4><a5>7.562557770e-07</a5><a6>-7.478263020e-11</a6><a7>3.068983677e-15</a7><b1>1.483006853e+05</b1><b2>-2.403781190e+02</b2></T_range></specie><specie inp_file_name="C3H7,i-propyl"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Radical. Tsang,1985.</comment><reference>g 9/85</reference><elements><element C="3" /><element H="7" /></elements><condensed>False</condensed><molecular_weight>0.043087679999999996</molecular_weight><hf298.15>93300.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-2.952063445e+05</a1><a2>5.294432300e+03</a2><a3>-3.105287013e+01</a3><a4>1.143871563e-01</a4><a5>-1.291752393e-04</a5><a6>8.057843760e-08</a6><a7>-2.093908432e-11</a7><b1>-1.476815514e+04</b1><b2>1.988082360e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>5.807002520e+06</a1><a2>-2.411219997e+04</a2><a3>4.085288400e+01</a3><a4>-4.517851330e-03</a4><a5>8.499427170e-07</a5><a6>-8.573514340e-11</a6><a7>3.583383960e-15</a7><b1>1.546504050e+05</b1><b2>-2.487098372e+02</b2></T_range></specie><specie inp_file_name="C3H8"><identification><InChIKey>ATUOYWHBWRKTHZ-UHFFFAOYSA-N</InChIKey><canonical_smiles>CCC</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>propane</IUPAC_name></identification><comment>Hf:TRC(10/85) w1350. Chao,1973.</comment><reference>g 2/00</reference><elements><element C="3" /><element H="8" /></elements><condensed>False</condensed><molecular_weight>0.044095619999999995</molecular_weight><hf298.15>-104680.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-2.433144337e+05</a1><a2>4.656270810e+03</a2><a3>-2.939466091e+01</a3><a4>1.188952745e-01</a4><a5>-1.376308269e-04</a5><a6>8.814823910e-08</a6><a7>-2.342987994e-11</a7><b1>-3.540335270e+04</b1><b2>1.841749277e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>6.420731680e+06</a1><a2>-2.659791134e+04</a2><a3>4.534356840e+01</a3><a4>-5.020663920e-03</a4><a5>9.471216940e-07</a5><a6>-9.575405230e-11</a6><a7>4.009672880e-15</a7><b1>1.455582459e+05</b1><b2>-2.818374734e+02</b2></T_range></specie><specie inp_file_name="C3H8O,1propanol"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Hf:TRC(6/87) w5030. Chao,1986.</comment><reference>g 2/00</reference><elements><element C="3" /><element H="8" /><element O="1" /></elements><condensed>False</condensed><molecular_weight>0.06009502</molecular_weight><hf298.15>-255200.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-2.616973337e+05</a1><a2>5.192376660e+03</a2><a3>-3.296481160e+01</a3><a4>1.354568128e-01</a4><a5>-1.593156164e-04</a5><a6>1.019498160e-07</a6><a7>-2.688552974e-11</a7><b1>-5.612854350e+04</b1><b2>2.085024431e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>6.308672120e+06</a1><a2>-2.642210376e+04</a2><a3>4.715112590e+01</a3><a4>-4.642511930e-03</a4><a5>8.593465360e-07</a5><a6>-8.682091820e-11</a6><a7>3.642224010e-15</a7><b1>1.255003155e+05</b1><b2>-2.859463804e+02</b2></T_range></specie><specie inp_file_name="C3H8O,2propanol"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Hf:TRC(6/87) w5030. Chao,1986.</comment><reference>g 2/00</reference><elements><element C="3" /><element H="8" /><element O="1" /></elements><condensed>False</condensed><molecular_weight>0.06009502</molecular_weight><hf298.15>-272700.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-3.386510240e+05</a1><a2>6.106048000e+03</a2><a3>-3.791418040e+01</a3><a4>1.530494531e-01</a4><a5>-1.864354461e-04</a5><a6>1.213257738e-07</a6><a7>-3.220433490e-11</a7><b1>-6.279959350e+04</b1><b2>2.334322610e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>6.001074750e+06</a1><a2>-2.505876830e+04</a2><a3>4.622096120e+01</a3><a4>-4.272466310e-03</a4><a5>7.693678770e-07</a5><a6>-7.450584840e-11</a6><a7>2.998959935e-15</a7><b1>1.148518732e+05</b1><b2>-2.796132222e+02</b2></T_range></specie><specie inp_file_name="CNCOCN"><identification><InChIKey>JSGHQDAEHDRLOI-UHFFFAOYSA-N</InChIKey><canonical_smiles>C(#N)C(=O)C#N</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>carbonyl dicyanide</IUPAC_name></identification><comment>Oxopropanedinitrile, NC-CO-CN. Dorofeeva,2001.</comment><reference>srd 01</reference><elements><element C="3" /><element N="2" /><element O="1" /></elements><condensed>False</condensed><molecular_weight>0.0800449</molecular_weight><hf298.15>247500.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.131052007e+05</a1><a2>-1.978834859e+03</a2><a3>1.626886148e+01</a3><a4>-8.330801790e-03</a4><a5>1.884126795e-05</a5><a6>-1.530681099e-08</a6><a7>4.418124730e-12</a7><b1>0.000000000e+00</b1><b2>3.680261690e+04</b2><b3>-5.963327110e+01</b3></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>7.000508390e+05</a1><a2>-5.085998530e+03</a2><a3>1.946753161e+01</a3><a4>-1.302851179e-03</a4><a5>2.753596900e-07</a5><a6>-3.056286034e-11</a6><a7>1.382138451e-15</a7><b1>0.000000000e+00</b1><b2>5.539336600e+04</b2><b3>-8.627548600e+01</b3></T_range></specie><specie inp_file_name="C3OS"><identification><InChIKey>RHUZNLULDNYSIW-UHFFFAOYSA-N</InChIKey><canonical_smiles>C(=C=O)=C=S</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>3-sulfanylidenepropa-1,2-dien-1-one</IUPAC_name></identification><comment>TRC(6/01) p8150, tuvw-8150.</comment><reference>n 6/01</reference><elements><element C="3" /><element O="1" /><element S="1" /></elements><condensed>False</condensed><molecular_weight>0.0840965</molecular_weight><hf298.15>157330.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.173396837e+05</a1><a2>-2.154246274e+03</a2><a3>1.739096818e+01</a3><a4>-1.606951508e-02</a4><a5>2.815913738e-05</a5><a6>-2.144517776e-08</a6><a7>6.117883960e-12</a7><b1>2.690975728e+04</b1><b2>-6.715503804e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>4.650964090e+05</a1><a2>-3.653583100e+03</a2><a3>1.589374854e+01</a3><a4>-7.274431680e-04</a4><a5>1.507932631e-07</a5><a6>-1.250975180e-11</a6><a7>2.879103391e-16</a7><b1>3.664221650e+04</b1><b2>-6.509079314e+01</b2></T_range></specie><specie inp_file_name="C3O2"><identification><InChIKey>GNEVIACKFGQMHB-UHFFFAOYSA-N</InChIKey><canonical_smiles>C(=C=O)=C=O</canonical_smiles><cas_number>504-64-3</cas_number><IUPAC_name>propa-1,2-diene-1,3-dione</IUPAC_name></identification><comment>Hf:Chase,1998 p690 6/68. Shimanouchi,1977 p1083.</comment><reference>g 7/88</reference><elements><element C="3" /><element O="2" /></elements><condensed>False</condensed><molecular_weight>0.0680309</molecular_weight><hf298.15>-93638.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.579873382e+05</a1><a2>-2.529493506e+03</a2><a3>1.801761578e+01</a3><a4>-1.786032042e-02</a4><a5>2.978671986e-05</a5><a6>-2.182900022e-08</a6><a7>6.013797220e-12</a7><b1>-1.121054014e+03</b1><b2>-7.277721170e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>6.968699890e+05</a1><a2>-4.624733190e+03</a2><a3>1.663905725e+01</a3><a4>-1.175486554e-03</a4><a5>2.478106444e-07</a5><a6>-2.745165984e-11</a6><a7>1.239566766e-15</a7><b1>1.252580069e+04</b1><b2>-7.275968780e+01</b2></T_range></specie><specie inp_file_name="C3S2"><identification><InChIKey>RMCQREAPGZPWGK-UHFFFAOYSA-N</InChIKey><canonical_smiles>C(=C=S)=C=S</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>propa-1,2-diene-1,3-dithione</IUPAC_name></identification><comment>TRC(6/01) p8150, tuvw-8150.</comment><reference>n 6/01</reference><elements><element C="3" /><element S="2" /></elements><condensed>False</condensed><molecular_weight>0.10016209999999999</molecular_weight><hf298.15>412500.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>9.328308590e+04</a1><a2>-1.860679192e+03</a2><a3>1.613667767e+01</a3><a4>-1.172634768e-02</a4><a5>2.228897169e-05</a5><a6>-1.808702234e-08</a6><a7>5.421828530e-12</a7><b1>5.607264740e+04</b1><b2>-6.032261795e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>2.718212835e+05</a1><a2>-2.941949284e+03</a2><a3>1.559075626e+01</a3><a4>-8.093965740e-04</a4><a5>1.739434000e-07</a5><a6>-1.932034262e-11</a6><a7>8.570339980e-16</a7><b1>6.274672550e+04</b1><b2>-6.207028885e+01</b2></T_range></specie><specie inp_file_name="C4"><identification><InChIKey>ZJRINDVWMDPKLP-UHFFFAOYSA-N</InChIKey><canonical_smiles>C=1=C=C=C1</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>cyclobutatetraene</IUPAC_name></identification><comment>Gurvich,1991 pt1 p18 pt2 p16.</comment><reference>g tpis</reference><elements><element C="4" /></elements><condensed>False</condensed><molecular_weight>0.0480428</molecular_weight><hf298.15>1033903.742</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>3.903780500e+04</a1><a2>-8.948280780e+02</a2><a3>1.050952925e+01</a3><a4>-6.552894460e-03</a4><a5>1.243940464e-05</a5><a6>-8.645341370e-09</a6><a7>2.263638846e-12</a7><b1>1.266425869e+05</b1><b2>-3.077594475e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>9.200685130e+05</a1><a2>-1.530311800e+03</a2><a3>6.050069200e+00</a3><a4>5.252743670e-03</a4><a5>-1.779154772e-06</a5><a6>2.589873632e-10</a6><a7>-1.385553481e-14</a7><b1>1.334389611e+05</b1><b2>-7.261148820e+00</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>-2.864752103e+07</a1><a2>1.765535487e+04</a2><a3>6.166598280e+00</a3><a4>8.098789030e-04</a4><a5>-6.653483810e-08</a5><a6>2.504726897e-12</a6><a7>-3.585724180e-17</a7><b1>-2.082319291e+04</b1><b2>4.331258920e+00</b2></T_range></specie><specie inp_file_name="C4H2,butadiyne"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>1,3-Butadiyne. Dorofeeva,1991.</comment><reference>g 7/01</reference><elements><element C="4" /><element H="2" /></elements><condensed>False</condensed><molecular_weight>0.05005868</molecular_weight><hf298.15>450000.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>2.467542569e+05</a1><a2>-3.897855640e+03</a2><a3>2.366080456e+01</a3><a4>-2.208077805e-02</a4><a5>2.781101140e-05</a5><a6>-1.577340010e-08</a6><a7>3.423165460e-12</a7><b1>7.086907820e+04</b1><b2>-1.109173560e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>2.328179913e+06</a1><a2>-8.925186090e+03</a2><a3>2.114326883e+01</a3><a4>-1.368871276e-03</a4><a5>2.327503159e-07</a5><a6>-2.124517624e-11</a6><a7>8.053313020e-16</a7><b1>1.057788416e+05</b1><b2>-1.088313574e+02</b2></T_range></specie><specie inp_file_name="C4H4,1,3-cyclo-"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>1,3-Cyclobutadiene. Dorofeeva,1986.</comment><reference>g 8/00</reference><elements><element C="4" /><element H="4" /></elements><condensed>False</condensed><molecular_weight>0.05207456</molecular_weight><hf298.15>385000.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-2.778428049e+04</a1><a2>1.768176915e+03</a2><a3>-1.757895171e+01</a3><a4>9.383512920e-02</a4><a5>-1.195524281e-04</a5><a6>7.978086190e-08</a6><a7>-2.152751100e-11</a7><b1>3.811627120e+04</b1><b2>1.128478124e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>2.991498949e+06</a1><a2>-1.416781502e+04</a2><a3>3.001978876e+01</a3><a4>-2.579200423e-03</a4><a5>4.789990450e-07</a5><a6>-4.775329710e-11</a6><a7>1.974923662e-15</a7><b1>1.274666920e+05</b1><b2>-1.727532057e+02</b2></T_range></specie><specie inp_file_name="C4H6,butadiene"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>1,3-butadiene. TRC(10/92) tuvw2820.</comment><reference>n10/92</reference><elements><element C="4" /><element H="6" /></elements><condensed>False</condensed><molecular_weight>0.054090440000000004</molecular_weight><hf298.15>110000.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-9.181130530e+04</a1><a2>3.312570530e+03</a2><a3>-2.985828611e+01</a3><a4>1.479201147e-01</a4><a5>-2.056618326e-04</a5><a6>1.466496826e-07</a6><a7>-4.145285730e-11</a7><b1>-2.077309444e+03</b1><b2>1.780687329e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.361903188e+07</a1><a2>5.651323370e+04</a2><a3>-3.275738320e+01</a3><a4>2.293070572e-02</a4><a5>-2.297106441e-06</a5><a6>4.292596210e-11</a6><a7>4.236766040e-15</a7><b1>-3.671358620e+05</b1><b2>3.013437302e+02</b2></T_range></specie><specie inp_file_name="C4H6,1butyne"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>TRC(10/93) tuvw3040.</comment><reference>n10/93</reference><elements><element C="4" /><element H="6" /></elements><condensed>False</condensed><molecular_weight>0.054090440000000004</molecular_weight><hf298.15>165200.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-5.597039970e+04</a1><a2>1.433191711e+03</a2><a3>-9.691210720e+00</a3><a4>7.150002390e-02</a4><a5>-8.157967800e-05</a5><a6>5.290364970e-08</a6><a7>-1.435655372e-11</a7><b1>1.184987013e+04</b1><b2>7.660225360e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>6.364402700e+06</a1><a2>-2.392087731e+04</a2><a3>4.073750410e+01</a3><a4>-3.176726490e-03</a4><a5>1.199856984e-07</a5><a6>3.201802510e-11</a6><a7>-2.854392633e-15</a7><b1>1.634335546e+05</b1><b2>-2.460284791e+02</b2></T_range></specie><specie inp_file_name="C4H6,2butyne"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>TRC(10/93) tuvw3040.</comment><reference>n10/93</reference><elements><element C="4" /><element H="6" /></elements><condensed>False</condensed><molecular_weight>0.054090440000000004</molecular_weight><hf298.15>145700.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-2.650756405e+05</a1><a2>4.490728690e+03</a2><a3>-2.400723889e+01</a3><a4>9.819579550e-02</a4><a5>-1.079717182e-04</a5><a6>6.675555770e-08</a6><a7>-1.740766886e-11</a7><b1>-5.328363710e+03</b1><b2>1.595035268e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>3.981304330e+06</a1><a2>-1.873032899e+04</a2><a3>3.654561490e+01</a3><a4>-2.369686378e-03</a4><a5>3.990211810e-07</a5><a6>-3.698707270e-11</a6><a7>1.442072006e-15</a7><b1>1.261460214e+05</b1><b2>-2.155866205e+02</b2></T_range></specie><specie inp_file_name="C4H6,cyclo-"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Cyclobutene. Dorofeeva,1986.</comment><reference>g 8/00</reference><elements><element C="4" /><element H="6" /></elements><condensed>False</condensed><molecular_weight>0.054090440000000004</molecular_weight><hf298.15>156700.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-2.046707734e+05</a1><a2>4.919470570e+03</a2><a3>-3.753278160e+01</a3><a4>1.497293031e-01</a4><a5>-1.860139375e-04</a5><a6>1.219909019e-07</a6><a7>-3.254073590e-11</a7><b1>-3.915950540e+03</b1><b2>2.233282138e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>4.517367820e+06</a1><a2>-2.097311985e+04</a2><a3>4.008039170e+01</a3><a4>-3.949793980e-03</a4><a5>7.448484990e-07</a5><a6>-7.529754170e-11</a6><a7>3.153253502e-15</a7><b1>1.406469848e+05</b1><b2>-2.434836999e+02</b2></T_range></specie><specie inp_file_name="C4H8,1-butene"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>TRC(4/88) tuvw2600.</comment><reference>n 4/88</reference><elements><element C="4" /><element H="8" /></elements><condensed>False</condensed><molecular_weight>0.056106319999999994</molecular_weight><hf298.15>-540.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-2.721492014e+05</a1><a2>5.100079250e+03</a2><a3>-3.183786250e+01</a3><a4>1.317754442e-01</a4><a5>-1.527359339e-04</a5><a6>9.714761110e-08</a6><a7>-2.560204470e-11</a7><b1>-2.523096386e+04</b1><b2>2.006932108e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>6.257948610e+06</a1><a2>-2.660376305e+04</a2><a3>4.764920050e+01</a3><a4>-4.383267110e-03</a4><a5>7.128838440e-07</a5><a6>-5.991020840e-11</a6><a7>2.051753504e-15</a7><b1>1.569252657e+05</b1><b2>-2.913869761e+02</b2></T_range></specie><specie inp_file_name="C4H8,cis2-buten"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Cis2-butene TRC(4/88) tuvw2600.</comment><reference>n 4/88</reference><elements><element C="4" /><element H="8" /></elements><condensed>False</condensed><molecular_weight>0.056106319999999994</molecular_weight><hf298.15>-7400.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-2.773870877e+05</a1><a2>5.382384040e+03</a2><a3>-3.375188100e+01</a3><a4>1.322980623e-01</a4><a5>-1.490975922e-04</a5><a6>9.277722000e-08</a6><a7>-2.408282948e-11</a7><b1>-2.715884347e+04</b1><b2>2.114462085e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>6.461018350e+06</a1><a2>-2.775376432e+04</a2><a3>4.863532360e+01</a3><a4>-4.862386350e-03</a4><a5>8.412626100e-07</a5><a6>-7.633890370e-11</a6><a7>2.861702826e-15</a7><b1>1.630856187e+05</b1><b2>-3.003105998e+02</b2></T_range></specie><specie inp_file_name="C4H8,tr2-butene"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>TRC(4/88) tuvw-2600.</comment><reference>n 4/88</reference><elements><element C="4" /><element H="8" /></elements><condensed>False</condensed><molecular_weight>0.056106319999999994</molecular_weight><hf298.15>-11000.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-3.594644110e+05</a1><a2>5.930972080e+03</a2><a3>-3.255825290e+01</a3><a4>1.254957780e-01</a4><a5>-1.374705365e-04</a5><a6>8.407341350e-08</a6><a7>-2.163047345e-11</a7><b1>-3.113296523e+04</b1><b2>2.070081219e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>6.444758090e+06</a1><a2>-2.750706151e+04</a2><a3>4.870329380e+01</a3><a4>-4.952445460e-03</a4><a5>8.700135910e-07</a5><a6>-8.017471710e-11</a6><a7>3.052575093e-15</a7><b1>1.612137505e+05</b1><b2>-3.004419156e+02</b2></T_range></specie><specie inp_file_name="C4H8,isobutene"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>TRC(4/88) tuvw2600.</comment><reference>n 4/88</reference><elements><element C="4" /><element H="8" /></elements><condensed>False</condensed><molecular_weight>0.056106319999999994</molecular_weight><hf298.15>-17100.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-2.327205032e+05</a1><a2>3.941994240e+03</a2><a3>-2.224581184e+01</a3><a4>1.012790864e-01</a4><a5>-1.073194065e-04</a5><a6>6.454696910e-08</a6><a7>-1.646330345e-11</a7><b1>-2.233766063e+04</b1><b2>1.479597621e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>6.484970990e+06</a1><a2>-2.732504764e+04</a2><a3>4.836321080e+01</a3><a4>-4.768004050e-03</a4><a5>8.233875840e-07</a5><a6>-7.449253000e-11</a6><a7>2.782303056e-15</a7><b1>1.595941773e+05</b1><b2>-2.982986237e+02</b2></T_range></specie><specie inp_file_name="C4H8,cyclo-"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Cyclobutane. Dorofeeva,1986.</comment><reference>g 8/00</reference><elements><element C="4" /><element H="8" /></elements><condensed>False</condensed><molecular_weight>0.056106319999999994</molecular_weight><hf298.15>28400.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-3.047655983e+05</a1><a2>6.519482730e+03</a2><a3>-4.662987590e+01</a3><a4>1.743593052e-01</a4><a5>-2.090964176e-04</a5><a6>1.343528679e-07</a6><a7>-3.542727400e-11</a7><b1>-2.700031171e+04</b1><b2>2.738348195e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>4.456213810e+06</a1><a2>-2.301018492e+04</a2><a3>4.492448460e+01</a3><a4>-3.080145176e-03</a4><a5>5.317165260e-07</a5><a6>-5.081079380e-11</a6><a7>2.048919092e-15</a7><b1>1.355487603e+05</b1><b2>-2.771801965e+02</b2></T_range></specie><specie inp_file_name="(CH3COOH)2"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Acetic acid dimer. Chao,1978.</comment><reference>g10/00</reference><elements><element C="4" /><element H="8" /><element O="4" /></elements><condensed>False</condensed><molecular_weight>0.12010392</molecular_weight><hf298.15>-929015.360</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-3.094720023e+05</a1><a2>5.983338600e+03</a2><a3>-3.573002920e+01</a3><a4>1.662525587e-01</a4><a5>-1.883866300e-04</a5><a6>1.154939386e-07</a6><a7>-2.935166753e-11</a7><b1>-1.421493469e+05</b1><b2>2.295855147e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>6.571327590e+06</a1><a2>-3.036870720e+04</a2><a3>6.250376670e+01</a3><a4>-5.732624710e-03</a4><a5>1.083461635e-06</a5><a6>-1.097963590e-10</a6><a7>4.609263380e-15</a7><b1>6.347426600e+04</b1><b2>-3.734555070e+02</b2></T_range></specie><specie inp_file_name="C4H9,n-butyl"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>TRC(10/84) tuvw1940.</comment><reference>n10/84</reference><elements><element C="4" /><element H="9" /></elements><condensed>False</condensed><molecular_weight>0.05711426</molecular_weight><hf298.15>66530.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-2.239560407e+05</a1><a2>4.676554100e+03</a2><a3>-2.985424449e+01</a3><a4>1.345493704e-01</a4><a5>-1.600660350e-04</a5><a6>1.045338096e-07</a6><a7>-2.812951048e-11</a7><b1>-1.525297704e+04</b1><b2>1.901651559e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>7.198686940e+06</a1><a2>-2.959241524e+04</a2><a3>5.242042810e+01</a3><a4>-5.441572440e-03</a4><a5>9.917758370e-07</a5><a6>-9.464455870e-11</a6><a7>3.729487040e-15</a7><b1>1.834566472e+05</b1><b2>-3.214209170e+02</b2></T_range></specie><specie inp_file_name="C4H9,i-butyl"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>2-methylpropyl. TRC(10/84) tuvw1940.</comment><reference>n10/84</reference><elements><element C="4" /><element H="9" /></elements><condensed>False</condensed><molecular_weight>0.05711426</molecular_weight><hf298.15>57320.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-2.399461281e+05</a1><a2>4.697444540e+03</a2><a3>-3.087472560e+01</a3><a4>1.391655831e-01</a4><a5>-1.670233968e-04</a5><a6>1.092423088e-07</a6><a7>-2.936209962e-11</a7><b1>-1.638151036e+04</b1><b2>1.936662372e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>6.752936060e+06</a1><a2>-2.837423721e+04</a2><a3>5.140687610e+01</a3><a4>-4.982399010e-03</a4><a5>8.801506630e-07</a5><a6>-8.125738690e-11</a6><a7>3.099140009e-15</a7><b1>1.743448480e+05</b1><b2>-3.149940745e+02</b2></T_range></specie><specie inp_file_name="C4H9,s-butyl"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>1-methylpropyl radical. Tsang,1985.</comment><reference>g 1/93</reference><elements><element C="4" /><element H="9" /></elements><condensed>False</condensed><molecular_weight>0.05711426</molecular_weight><hf298.15>71000.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-3.351062890e+05</a1><a2>6.312945950e+03</a2><a3>-4.003025260e+01</a3><a4>1.563875047e-01</a4><a5>-1.842331788e-04</a5><a6>1.182727848e-07</a6><a7>-3.131156589e-11</a7><b1>-2.216045659e+04</b1><b2>2.481295714e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>7.224744350e+06</a1><a2>-3.035291099e+04</a2><a3>5.288551830e+01</a3><a4>-5.652083550e-03</a4><a5>1.060032692e-06</a5><a6>-1.066129835e-10</a6><a7>4.443810960e-15</a7><b1>1.883494279e+05</b1><b2>-3.255719880e+02</b2></T_range></specie><specie inp_file_name="C4H9,t-butyl"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>1,1dimethylethyl radical. Tsang,1985.</comment><reference>g 1/93</reference><elements><element C="4" /><element H="9" /></elements><condensed>False</condensed><molecular_weight>0.05711426</molecular_weight><hf298.15>51700.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-4.723461950e+05</a1><a2>8.090198770e+03</a2><a3>-4.683675340e+01</a3><a4>1.575300095e-01</a4><a5>-1.686559436e-04</a5><a6>9.981040130e-08</a6><a7>-2.487608823e-11</a7><b1>-3.319367410e+04</b1><b2>2.894838706e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>7.151064950e+06</a1><a2>-3.171224410e+04</a2><a3>5.442510320e+01</a3><a4>-6.392331160e-03</a4><a5>1.241097612e-06</a5><a6>-1.287248300e-10</a6><a7>5.512618740e-15</a7><b1>1.934506997e+05</b1><b2>-3.399325290e+02</b2></T_range></specie><specie inp_file_name="C4H10,n-butane"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Hf:TRC(10/85) w1350. Chen,1975.</comment><reference>g12/00</reference><elements><element C="4" /><element H="10" /></elements><condensed>False</condensed><molecular_weight>0.0581222</molecular_weight><hf298.15>-125790.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-3.175872540e+05</a1><a2>6.176331820e+03</a2><a3>-3.891562120e+01</a3><a4>1.584654284e-01</a4><a5>-1.860050159e-04</a5><a6>1.199676349e-07</a6><a7>-3.201670550e-11</a7><b1>-4.540363390e+04</b1><b2>2.379488665e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>7.682322450e+06</a1><a2>-3.256051510e+04</a2><a3>5.736732750e+01</a3><a4>-6.197916810e-03</a4><a5>1.180186048e-06</a5><a6>-1.221893698e-10</a6><a7>5.250635250e-15</a7><b1>1.774526560e+05</b1><b2>-3.587918760e+02</b2></T_range></specie><specie inp_file_name="C4H10,isobutane"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>TRC(10/85) w1350. Chen,1975.</comment><reference>g 8/00</reference><elements><element C="4" /><element H="10" /></elements><condensed>False</condensed><molecular_weight>0.0581222</molecular_weight><hf298.15>-134990.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-3.834469330e+05</a1><a2>7.000039640e+03</a2><a3>-4.440026900e+01</a3><a4>1.746183447e-01</a4><a5>-2.078195348e-04</a5><a6>1.339792433e-07</a6><a7>-3.551681630e-11</a7><b1>-5.034018890e+04</b1><b2>2.658966497e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>7.528018920e+06</a1><a2>-3.202517060e+04</a2><a3>5.700161000e+01</a3><a4>-6.060013090e-03</a4><a5>1.143975809e-06</a5><a6>-1.157061835e-10</a6><a7>4.846042910e-15</a7><b1>1.728500802e+05</b1><b2>-3.576176890e+02</b2></T_range></specie><specie inp_file_name="C4N2"><identification><InChIKey>ZEHZNAXXOOYTJM-UHFFFAOYSA-N</InChIKey><canonical_smiles>C(#CC#N)C#N</canonical_smiles><cas_number>1071-98-3</cas_number><IUPAC_name>but-2-ynedinitrile</IUPAC_name></identification><comment>Hf:TRC(12/93) w8992. Khanna,1987. Brown,1989.</comment><reference>g 6/01</reference><elements><element C="4" /><element N="2" /></elements><condensed>False</condensed><molecular_weight>0.0760562</molecular_weight><hf298.15>529200.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.587802866e+05</a1><a2>-2.987184206e+03</a2><a3>2.348081602e+01</a3><a4>-2.607502448e-02</a4><a5>4.042830030e-05</a5><a6>-2.804912444e-08</a6><a7>7.397652050e-12</a7><b1>7.505299470e+04</b1><b2>-1.017578250e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.167686152e+06</a1><a2>-6.198644180e+03</a2><a3>2.062070093e+01</a3><a4>-1.518619449e-03</a4><a5>3.162361680e-07</a5><a6>-3.469922800e-11</a6><a7>1.555154128e-15</a7><b1>9.667409390e+04</b1><b2>-9.669734738e+01</b2></T_range></specie><specie inp_file_name="C5"><identification><InChIKey>OBSWYAAYUVHLEU-UHFFFAOYSA-N</InChIKey><canonical_smiles>C=1=C=C=C=C1</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>cyclopentapentaene</IUPAC_name></identification><comment>Gurvich,1991 pt1 p20 pt2 p18.</comment><reference>g 8/00</reference><elements><element C="5" /></elements><condensed>False</condensed><molecular_weight>0.0600535</molecular_weight><hf298.15>1050924.332</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.200801119e+04</a1><a2>-5.553702910e+02</a2><a3>1.123828271e+01</a3><a4>-4.347884520e-03</a4><a5>1.738987490e-05</a5><a6>-1.707945418e-08</a6><a7>5.574541910e-12</a7><b1>1.262404627e+05</b1><b2>-3.262308990e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>2.172055356e+05</a1><a2>-2.958510027e+03</a2><a3>1.561080967e+01</a3><a4>-8.200361920e-04</a4><a5>1.776898025e-07</a5><a6>-2.009853583e-11</a6><a7>9.222677770e-16</a7><b1>1.395208064e+05</b1><b2>-6.433077180e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>3.266863960e+06</a1><a2>-2.666377675e+03</a2><a3>1.408383780e+01</a3><a4>-6.620512140e-05</a4><a5>4.099789450e-09</a5><a6>-1.315689998e-13</a6><a7>1.711940703e-18</a7><b1>1.405413771e+05</b1><b2>-5.349354010e+01</b2></T_range></specie><specie inp_file_name="C5H6,1,3cyclo-"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>1,3-Cyclopentadiene. Pedley,1986 p90. Dorofeeva,1986.</comment><reference>g 5/90</reference><elements><element C="5" /><element H="6" /></elements><condensed>False</condensed><molecular_weight>0.06610114</molecular_weight><hf298.15>134300.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.886259728e+05</a1><a2>4.738220870e+03</a2><a3>-3.888958010e+01</a3><a4>1.667438533e-01</a4><a5>-2.141149581e-04</a5><a6>1.438132328e-07</a6><a7>-3.906478110e-11</a7><b1>-5.667022010e+03</b1><b2>2.279898557e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>4.428478190e+06</a1><a2>-2.123547976e+04</a2><a3>4.309819010e+01</a3><a4>-3.914783460e-03</a4><a5>7.311847010e-07</a5><a6>-7.327241190e-11</a6><a7>3.044403403e-15</a7><b1>1.382542782e+05</b1><b2>-2.605959678e+02</b2></T_range></specie><specie inp_file_name="C5H8,cyclo-"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Cyclopentene. Hf:TRC(10/92) w2840. Dorofeeva,1986.</comment><reference>g 1/93</reference><elements><element C="5" /><element H="8" /></elements><condensed>False</condensed><molecular_weight>0.06811702</molecular_weight><hf298.15>33900.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-2.631114588e+05</a1><a2>5.987753490e+03</a2><a3>-4.522244600e+01</a3><a4>1.804626339e-01</a4><a5>-2.177216062e-04</a5><a6>1.402022671e-07</a6><a7>-3.699094300e-11</a7><b1>-2.379504749e+04</b1><b2>2.660136401e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>4.569848100e+06</a1><a2>-2.406018294e+04</a2><a3>4.881006460e+01</a3><a4>-3.413054980e-03</a4><a5>6.047001660e-07</a5><a6>-5.927495780e-11</a6><a7>2.447865390e-15</a7><b1>1.413983093e+05</b1><b2>-2.989533527e+02</b2></T_range></specie><specie inp_file_name="C5H10,1-pentene"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>TRC(4/87) tuvw2500.</comment><reference>n 4/87</reference><elements><element C="5" /><element H="10" /></elements><condensed>False</condensed><molecular_weight>0.07013290000000001</molecular_weight><hf298.15>-21280.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-5.340548130e+05</a1><a2>9.298917380e+03</a2><a3>-5.667792450e+01</a3><a4>2.123100266e-01</a4><a5>-2.571298290e-04</a5><a6>1.666834304e-07</a6><a7>-4.434080470e-11</a7><b1>-4.790682180e+04</b1><b2>3.396036400e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>3.744014970e+06</a1><a2>-2.104485321e+04</a2><a3>4.736126990e+01</a3><a4>-4.244201200e-04</a4><a5>-3.898975050e-08</a5><a6>1.367074243e-11</a6><a7>-9.313194230e-16</a7><b1>1.154091373e+05</b1><b2>-2.786177449e+02</b2></T_range></specie><specie inp_file_name="C5H10,cyclo-"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Cyclopentane. Dorofeeva,1986.</comment><reference>g 2/01</reference><elements><element C="5" /><element H="10" /></elements><condensed>False</condensed><molecular_weight>0.07013290000000001</molecular_weight><hf298.15>-77100.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-4.141119710e+05</a1><a2>8.627592800e+03</a2><a3>-6.202959980e+01</a3><a4>2.259910921e-01</a4><a5>-2.682303330e-04</a5><a6>1.706289935e-07</a6><a7>-4.464050920e-11</a7><b1>-4.931522140e+04</b1><b2>3.583916230e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>7.501938730e+06</a1><a2>-3.505864850e+04</a2><a3>6.322480750e+01</a3><a4>-6.940356580e-03</a4><a5>1.337306593e-06</a5><a6>-1.377905033e-10</a6><a7>5.867357640e-15</a7><b1>1.954925511e+05</b1><b2>-4.026550900e+02</b2></T_range></specie><specie inp_file_name="C5H11,pentyl"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Radical. TRC(10/84) tuvw1941.</comment><reference>n10/84</reference><elements><element C="5" /><element H="11" /></elements><condensed>False</condensed><molecular_weight>0.07114084</molecular_weight><hf298.15>45810.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-4.653715920e+05</a1><a2>8.564220420e+03</a2><a3>-5.295242890e+01</a3><a4>2.094288859e-01</a4><a5>-2.561602906e-04</a5><a6>1.692755961e-07</a6><a7>-4.596788110e-11</a7><b1>-3.641704270e+04</b1><b2>3.196862240e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>5.697252900e+06</a1><a2>-2.891706175e+04</a2><a3>5.811029680e+01</a3><a4>-3.593995010e-03</a4><a5>4.419967630e-07</a5><a6>-1.509664551e-11</a6><a7>-6.626964430e-16</a7><b1>1.717009550e+05</b1><b2>-3.522477120e+02</b2></T_range></specie><specie inp_file_name="C5H11,t-pentyl"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>1,1-dimethylpropyl radical. Tsang,1985.</comment><reference>g 1/93</reference><elements><element C="5" /><element H="11" /></elements><condensed>False</condensed><molecular_weight>0.07114084</molecular_weight><hf298.15>32600.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-5.152181980e+05</a1><a2>9.144327830e+03</a2><a3>-5.602397890e+01</a3><a4>1.998204194e-01</a4><a5>-2.239112591e-04</a5><a6>1.375455547e-07</a6><a7>-3.523833050e-11</a7><b1>-4.036266610e+04</b1><b2>3.402811000e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>8.602108260e+06</a1><a2>-3.805205770e+04</a2><a3>6.649690370e+01</a3><a4>-7.533860630e-03</a4><a5>1.451612787e-06</a5><a6>-1.495593207e-10</a6><a7>6.368022330e-15</a7><b1>2.281858805e+05</b1><b2>-4.169408550e+02</b2></T_range></specie><specie inp_file_name="C5H12,n-pentane"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>TRC(10/85) tuvw1350.</comment><reference>n10/85</reference><elements><element C="5" /><element H="12" /></elements><condensed>False</condensed><molecular_weight>0.07214878</molecular_weight><hf298.15>-146760.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-2.768894625e+05</a1><a2>5.834283470e+03</a2><a3>-3.617541480e+01</a3><a4>1.533339707e-01</a4><a5>-1.528395882e-04</a5><a6>8.191092000e-08</a6><a7>-1.792327902e-11</a7><b1>-4.665375250e+04</b1><b2>2.265544053e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.530779286e+06</a1><a2>-8.972593260e+03</a2><a3>4.536223260e+01</a3><a4>-2.626989916e-03</a4><a5>3.135136419e-06</a5><a6>-5.318728940e-10</a6><a7>2.886896868e-14</a7><b1>1.484616529e+04</b1><b2>-2.516550384e+02</b2></T_range></specie><specie inp_file_name="C5H12,i-pentane"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>2-Methylbutane. TRC(10/85) tuvw1350.</comment><reference>n10/85</reference><elements><element C="5" /><element H="12" /></elements><condensed>False</condensed><molecular_weight>0.07214878</molecular_weight><hf298.15>-153700.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-4.231903390e+05</a1><a2>6.497189100e+03</a2><a3>-3.681126970e+01</a3><a4>1.532424729e-01</a4><a5>-1.548790714e-04</a5><a6>8.749897120e-08</a6><a7>-2.070547710e-11</a7><b1>-5.155416590e+04</b1><b2>2.309518218e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.156888594e+07</a1><a2>-4.556246870e+04</a2><a3>7.495443630e+01</a3><a4>-7.845415580e-03</a4><a5>1.444393314e-06</a5><a6>-1.464370213e-10</a6><a7>6.230285000e-15</a7><b1>2.544927135e+05</b1><b2>-4.801985780e+02</b2></T_range></specie><specie inp_file_name="CH3C(CH3)2CH3"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>2,2-Dimethylpropane (neopentane). TRC(10/85) tuvw1350.</comment><reference>n10/85</reference><elements><element C="5" /><element H="12" /></elements><condensed>False</condensed><molecular_weight>0.07214878</molecular_weight><hf298.15>-167920.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-8.973222270e+06</a1><a2>1.289225617e+05</a2><a3>-7.199344830e+02</a3><a4>2.056862183e+00</a4><a5>-2.953159699e-03</a5><a6>2.158893146e-06</a6><a7>-6.268318770e-10</a7><b1>-6.394932020e+05</b1><b2>4.020806360e+03</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.684705520e+07</a1><a2>-5.979430570e+04</a2><a3>8.685451480e+01</a3><a4>-9.621917600e-03</a4><a5>1.653363091e-06</a5><a6>-1.674727926e-10</a6><a7>7.372119360e-15</a7><b1>3.458496820e+05</b1><b2>-5.760466970e+02</b2></T_range></specie><specie inp_file_name="C6D5,phenyl"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Radical-d5. Burcat,1985.</comment><reference>g 1/01</reference><elements><element C="6" /><element D="5" /></elements><condensed>False</condensed><molecular_weight>0.08213471</molecular_weight><hf298.15>315740.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>2.012837008e+05</a1><a2>-1.979349332e+03</a2><a3>2.628267500e+00</a3><a4>5.951865260e-02</a4><a5>-6.081280450e-05</a5><a6>3.381391650e-08</a6><a7>-8.125429080e-12</a7><b1>4.697247490e+04</b1><b2>3.354700980e-01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.411628125e+06</a1><a2>-1.362569472e+04</a2><a3>4.028984940e+01</a3><a4>-3.490989270e-03</a4><a5>7.379612130e-07</a5><a6>-8.192244050e-11</a6><a7>3.705330970e-15</a7><b1>1.088073731e+05</b1><b2>-2.293621057e+02</b2></T_range></specie><specie inp_file_name="C6D6"><identification><InChIKey>UHOVQNZJYSORNB-MZWXYZOWSA-N</InChIKey><canonical_smiles>C1=CC=CC=C1</canonical_smiles><cas_number>1076-43-3</cas_number><IUPAC_name>1,2,3,4,5,6-hexadeuteriobenzene</IUPAC_name></identification><comment>Benzene-d6. Burcat,1985.</comment><reference>g 1/01</reference><elements><element C="6" /><element D="6" /></elements><condensed>False</condensed><molecular_weight>0.084148812</molecular_weight><hf298.15>58157.378</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>2.762911236e+05</a1><a2>-2.865868902e+03</a2><a3>5.395070430e+00</a3><a4>5.939315170e-02</a4><a5>-6.023631180e-05</a5><a6>3.381398570e-08</a6><a7>-8.306046370e-12</a7><b1>2.047083778e+04</b1><b2>-2.011790696e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.758057871e+06</a1><a2>-1.572121558e+04</a2><a3>4.468162490e+01</a3><a4>-4.003361920e-03</a4><a5>8.445434400e-07</a5><a6>-9.360556980e-11</a6><a7>4.228475530e-15</a7><b1>8.962045360e+04</b1><b2>-2.615332268e+02</b2></T_range></specie><specie inp_file_name="C6H2"><identification><InChIKey>MZHROOGPARRVHS-UHFFFAOYSA-N</InChIKey><canonical_smiles>C#CC#CC#C</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>hexa-1,3,5-triyne</IUPAC_name></identification><comment>Dorofeeva,1991.</comment><reference>g 2/93</reference><elements><element C="6" /><element H="2" /></elements><condensed>False</condensed><molecular_weight>0.07408007999999999</molecular_weight><hf298.15>670000.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>2.903722964e+05</a1><a2>-4.929751500e+03</a2><a3>3.189323210e+01</a3><a4>-3.119447315e-02</a4><a5>4.325763680e-05</a5><a6>-2.732517022e-08</a6><a7>6.674446110e-12</a7><b1>1.011898682e+05</b1><b2>-1.530593012e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>2.592848577e+06</a1><a2>-1.083361978e+04</a2><a3>2.847459495e+01</a3><a4>-1.876727704e-03</a4><a5>3.412134280e-07</a5><a6>-3.337392890e-11</a6><a7>1.356853889e-15</a7><b1>1.418517294e+05</b1><b2>-1.494853494e+02</b2></T_range></specie><specie inp_file_name="C6H5,phenyl"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Radical.Hf:TRC(10/89) w4270. Jacox,1998. NASA ab initio.</comment><reference>g11/00</reference><elements><element C="6" /><element H="5" /></elements><condensed>False</condensed><molecular_weight>0.07710389999999999</molecular_weight><hf298.15>337200.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.211278245e+05</a1><a2>3.529045580e+03</a2><a3>-3.116903422e+01</a3><a4>1.467550630e-01</a4><a5>-1.831398296e-04</a5><a6>1.192576957e-07</a6><a7>-3.149265860e-11</a7><b1>2.420972928e+04</b1><b2>1.868799946e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>3.670279230e+06</a1><a2>-1.894601209e+04</a2><a3>4.180581820e+01</a3><a4>-3.503914150e-03</a4><a5>6.561821740e-07</a5><a6>-6.594714450e-11</a6><a7>2.748094212e-15</a7><b1>1.476744628e+05</b1><b2>-2.475301142e+02</b2></T_range></specie><specie inp_file_name="C6H5O,phenoxy"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Phenoxy radical. Burcat,1985.</comment><reference>g 8/00</reference><elements><element C="6" /><element H="5" /><element O="1" /></elements><condensed>False</condensed><molecular_weight>0.0931033</molecular_weight><hf298.15>47700.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.292264217e+05</a1><a2>3.406740680e+03</a2><a3>-2.911367361e+01</a3><a4>1.459180378e-01</a4><a5>-1.780202758e-04</a5><a6>1.138615885e-07</a6><a7>-2.967142152e-11</a7><b1>-1.055026758e+04</b1><b2>1.770682011e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>3.678640340e+06</a1><a2>-1.972980806e+04</a2><a3>4.541184410e+01</a3><a4>-3.751064390e-03</a4><a5>7.114450780e-07</a5><a6>-7.233328850e-11</a6><a7>3.045637067e-15</a7><b1>1.163595961e+05</b1><b2>-2.681058539e+02</b2></T_range></specie><specie inp_file_name="C6H6"><identification><InChIKey>UHOVQNZJYSORNB-UHFFFAOYSA-N</InChIKey><canonical_smiles>C1=CC=CC=C1</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>benzene</IUPAC_name></identification><comment>TRC(10/86)w3200. Pliva,1982,1983,1984. Shimanouchi,1972.</comment><reference>g 8/00</reference><elements><element C="6" /><element H="6" /></elements><condensed>False</condensed><molecular_weight>0.07811184</molecular_weight><hf298.15>82880.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.677340902e+05</a1><a2>4.404500040e+03</a2><a3>-3.717377910e+01</a3><a4>1.640509559e-01</a4><a5>-2.020812374e-04</a5><a6>1.307915264e-07</a6><a7>-3.444284100e-11</a7><b1>-1.035455401e+04</b1><b2>2.169853345e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>4.538575720e+06</a1><a2>-2.260502547e+04</a2><a3>4.694007300e+01</a3><a4>-4.206676830e-03</a4><a5>7.907994330e-07</a5><a6>-7.968302100e-11</a6><a7>3.328212080e-15</a7><b1>1.391464686e+05</b1><b2>-2.868751333e+02</b2></T_range></specie><specie inp_file_name="C6H5OH,phenol"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Burcat,1985.</comment><reference>g 8/00</reference><elements><element C="6" /><element H="6" /><element O="1" /></elements><condensed>False</condensed><molecular_weight>0.09411124</molecular_weight><hf298.15>-96399.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.209418144e+05</a1><a2>3.378292270e+03</a2><a3>-2.991846148e+01</a3><a4>1.567802942e-01</a4><a5>-1.970937198e-04</a5><a6>1.291815064e-07</a6><a7>-3.424351260e-11</a7><b1>-2.779387017e+04</b1><b2>1.799708977e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>4.462081570e+06</a1><a2>-2.165521026e+04</a2><a3>4.815015050e+01</a3><a4>-3.568282430e-03</a4><a5>6.327175730e-07</a5><a6>-6.039905720e-11</a6><a7>2.399168678e-15</a7><b1>1.113726204e+05</b1><b2>-2.860454446e+02</b2></T_range></specie><specie inp_file_name="C6H10,cyclo-"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Cyclohexene. Dorofeeva,1986.</comment><reference>g 1/93</reference><elements><element C="6" /><element H="10" /></elements><condensed>False</condensed><molecular_weight>0.08214360000000001</molecular_weight><hf298.15>-4600.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-3.750282210e+05</a1><a2>7.643876750e+03</a2><a3>-5.510434760e+01</a3><a4>2.166231405e-01</a4><a5>-2.545452198e-04</a5><a6>1.607607304e-07</a6><a7>-4.185248410e-11</a7><b1>-3.661073010e+04</b1><b2>3.202409460e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>7.510128980e+06</a1><a2>-3.556858210e+04</a2><a3>6.703034940e+01</a3><a4>-7.045351870e-03</a4><a5>1.358166400e-06</a5><a6>-1.400074492e-10</a6><a7>5.964551700e-15</a7><b1>2.060274332e+05</b1><b2>-4.238197660e+02</b2></T_range></specie><specie inp_file_name="C6H12,1-hexene"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>TRC(4/87) tuvw2500.</comment><reference>n 4/87</reference><elements><element C="6" /><element H="12" /></elements><condensed>False</condensed><molecular_weight>0.08415948000000001</molecular_weight><hf298.15>-41950.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-6.668831650e+05</a1><a2>1.176864939e+04</a2><a3>-7.270998330e+01</a3><a4>2.709398396e-01</a4><a5>-3.333246400e-04</a5><a6>2.182347097e-07</a6><a7>-5.859468820e-11</a7><b1>-6.215780540e+04</b1><b2>4.286825640e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>7.332906960e+05</a1><a2>-1.448848641e+04</a2><a3>4.671215490e+01</a3><a4>3.172978470e-03</a4><a5>-5.242646520e-07</a5><a6>4.280355820e-11</a6><a7>-1.472353254e-15</a7><b1>6.697740410e+04</b1><b2>-2.623643854e+02</b2></T_range></specie><specie inp_file_name="C6H12,cyclo-"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Cyclohexane. Dorofeeva,1986.</comment><reference>g 6/90</reference><elements><element C="6" /><element H="12" /></elements><condensed>False</condensed><molecular_weight>0.08415948000000001</molecular_weight><hf298.15>-123300.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-5.679987040e+05</a1><a2>1.034238704e+04</a2><a3>-6.800041250e+01</a3><a4>2.387797658e-01</a4><a5>-2.511890049e-04</a5><a6>1.425293184e-07</a6><a7>-3.407833190e-11</a7><b1>-6.404635160e+04</b1><b2>3.934808210e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>5.225149470e+06</a1><a2>-3.364194580e+04</a2><a3>7.174607470e+01</a3><a4>-6.698979120e-03</a4><a5>1.318443254e-06</a5><a6>-1.390794789e-10</a6><a7>6.060102240e-15</a7><b1>1.732537609e+05</b1><b2>-4.546814170e+02</b2></T_range></specie><specie inp_file_name="C6H13,n-hexyl"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>TRC(10/83) tuvw1930.</comment><reference>n10/83</reference><elements><element C="6" /><element H="13" /></elements><condensed>False</condensed><molecular_weight>0.08516742000000001</molecular_weight><hf298.15>25100.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.427278220e+06</a1><a2>2.248828093e+04</a2><a3>-1.297492240e+02</a3><a4>4.279797330e-01</a4><a5>-5.556013180e-04</a5><a6>3.791256940e-07</a6><a7>-1.048462404e-10</a7><b1>-1.060261015e+05</b1><b2>7.497186760e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>5.967938620e+06</a1><a2>-3.299023160e+04</a2><a3>6.869073440e+01</a3><a4>-4.225009060e-03</a4><a5>5.496523820e-07</a5><a6>-2.292851471e-11</a6><a7>-5.086341890e-16</a7><b1>1.906978683e+05</b1><b2>-4.185362000e+02</b2></T_range></specie><specie inp_file_name="C6H14,n-hexane"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>TRC(4/85) tuvw1440.</comment><reference>g 6/01</reference><elements><element C="6" /><element H="14" /></elements><condensed>False</condensed><molecular_weight>0.08617535999999999</molecular_weight><hf298.15>-166920.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-5.815926700e+05</a1><a2>1.079097724e+04</a2><a3>-6.633947030e+01</a3><a4>2.523715155e-01</a4><a5>-2.904344705e-04</a5><a6>1.802201514e-07</a6><a7>-4.617223680e-11</a7><b1>-7.271544570e+04</b1><b2>3.938283540e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-3.106625684e+06</a1><a2>-7.346087920e+03</a2><a3>4.694131760e+01</a3><a4>1.693963977e-03</a4><a5>2.068996667e-06</a5><a6>-4.212141680e-10</a6><a7>2.452345845e-14</a7><b1>5.237503120e+02</b1><b2>-2.549967718e+02</b2></T_range></specie><specie inp_file_name="C7H7,benzyl"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Radical. Brouwer,1988. Hippler,1990.</comment><reference>g 7/01</reference><elements><element C="7" /><element H="7" /></elements><condensed>False</condensed><molecular_weight>0.09113048</molecular_weight><hf298.15>210500.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.836764826e+05</a1><a2>4.102465660e+03</a2><a3>-3.202406100e+01</a3><a4>1.588249575e-01</a4><a5>-1.894466924e-04</a5><a6>1.203649671e-07</a6><a7>-3.136589637e-11</a7><b1>5.266333230e+03</b1><b2>1.938751720e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>5.297322160e+06</a1><a2>-2.599909398e+04</a2><a3>5.509750790e+01</a3><a4>-4.977661470e-03</a4><a5>9.463152430e-07</a5><a6>-9.639008860e-11</a6><a7>4.064470420e-15</a7><b1>1.738382912e+05</b1><b2>-3.343829550e+02</b2></T_range></specie><specie inp_file_name="C7H8"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Hf:TRC(4/98) w3510. Hitchcock,1975. Rudolph,1967.</comment><reference>g 1/93</reference><elements><element C="7" /><element H="8" /></elements><condensed>False</condensed><molecular_weight>0.09213842</molecular_weight><hf298.15>50170.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-2.877962220e+05</a1><a2>6.133941520e+03</a2><a3>-4.574706760e+01</a3><a4>1.936895724e-01</a4><a5>-2.304305304e-04</a5><a6>1.459301178e-07</a6><a7>-3.790796100e-11</a7><b1>-2.308402499e+04</b1><b2>2.693915042e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>6.184538350e+06</a1><a2>-2.990284056e+04</a2><a3>5.982005970e+01</a3><a4>-5.696983960e-03</a4><a5>1.080748416e-06</a5><a6>-1.098702235e-10</a6><a7>4.624740220e-15</a7><b1>1.782047857e+05</b1><b2>-3.698082250e+02</b2></T_range></specie><specie inp_file_name="C7H8O,cresol-mx"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Eql. mixture of isomers. Kudchadker,1978.</comment><reference>g12/00</reference><elements><element C="7" /><element H="8" /><element O="1" /></elements><condensed>False</condensed><molecular_weight>0.10813782000000001</molecular_weight><hf298.15>-132298.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-2.441417503e+05</a1><a2>5.080877840e+03</a2><a3>-3.789048040e+01</a3><a4>1.864945070e-01</a4><a5>-2.269511868e-04</a5><a6>1.458989279e-07</a6><a7>-3.822403350e-11</a7><b1>-4.093657830e+04</b1><b2>2.281352234e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>6.017373450e+06</a1><a2>-2.849882774e+04</a2><a3>6.081543070e+01</a3><a4>-4.996807110e-03</a4><a5>9.134279950e-07</a5><a6>-8.979444110e-11</a6><a7>3.667756970e-15</a7><b1>1.472218400e+05</b1><b2>-3.674850140e+02</b2></T_range></specie><specie inp_file_name="C7H14,1-heptene"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>TRC(4/87) tuvw2500.</comment><reference>n 4/87</reference><elements><element C="7" /><element H="14" /></elements><condensed>False</condensed><molecular_weight>0.09818605999999999</molecular_weight><hf298.15>-62760.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-7.449402840e+05</a1><a2>1.332179893e+04</a2><a3>-8.281694380e+01</a3><a4>3.108065994e-01</a4><a5>-3.786779920e-04</a5><a6>2.446841042e-07</a6><a7>-6.488763870e-11</a7><b1>-7.217885010e+04</b1><b2>4.856671490e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.927608174e+06</a1><a2>-9.125024420e+03</a2><a3>4.748177970e+01</a3><a4>6.067660530e-03</a4><a5>-8.684859080e-07</a5><a6>5.813995260e-11</a6><a7>-1.473979569e-15</a7><b1>2.600914656e+04</b1><b2>-2.562880707e+02</b2></T_range></specie><specie inp_file_name="C7H15,n-heptyl"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>TRC(10/83) tuvw1930.</comment><reference>n10/83</reference><elements><element C="7" /><element H="15" /></elements><condensed>False</condensed><molecular_weight>0.099194</molecular_weight><hf298.15>4390.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.671733521e+06</a1><a2>2.640010250e+04</a2><a3>-1.526867707e+02</a3><a4>5.027121410e-01</a4><a5>-6.521014030e-04</a5><a6>4.443488110e-07</a6><a7>-1.227815006e-10</a7><b1>-1.273754623e+05</b1><b2>8.783933320e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>5.444527570e+06</a1><a2>-3.456829290e+04</a2><a3>7.638651950e+01</a3><a4>-3.298972000e-03</a4><a5>2.343496957e-07</a5><a6>2.467674021e-11</a6><a7>-3.162012849e-15</a7><b1>1.939079354e+05</b1><b2>-4.641424660e+02</b2></T_range></specie><specie inp_file_name="C7H16,n-heptane"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>TRC(10/85) tuv1460. TRC(10/84) ptuv1010.</comment><reference>n10/85</reference><elements><element C="7" /><element H="16" /></elements><condensed>False</condensed><molecular_weight>0.10020193999999999</molecular_weight><hf298.15>-187780.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-6.127432890e+05</a1><a2>1.184085437e+04</a2><a3>-7.487188600e+01</a3><a4>2.918466052e-01</a4><a5>-3.416795490e-04</a5><a6>2.159285269e-07</a6><a7>-5.655852730e-11</a7><b1>-8.013408940e+04</b1><b2>4.407213320e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>9.135632470e+06</a1><a2>-3.923319690e+04</a2><a3>7.889780850e+01</a3><a4>-4.654251930e-03</a4><a5>2.071774142e-06</a5><a6>-3.442539300e-10</a6><a7>1.976834775e-14</a7><b1>2.050708295e+05</b1><b2>-4.851104020e+02</b2></T_range></specie><specie inp_file_name="C7H16,2-methylh"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>2-methylhexane. TRC(10/85) tuvw1460.</comment><reference>n10/85</reference><elements><element C="7" /><element H="16" /></elements><condensed>False</condensed><molecular_weight>0.10020193999999999</molecular_weight><hf298.15>-194600.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-7.104777770e+05</a1><a2>1.191251120e+04</a2><a3>-7.345339440e+01</a3><a4>2.902952369e-01</a4><a5>-3.462767680e-04</a5><a6>2.260184498e-07</a6><a7>-6.128813920e-11</a7><b1>-8.202147700e+04</b1><b2>4.320042290e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.289912969e+06</a1><a2>-1.784340963e+03</a2><a3>1.083537673e+01</a3><a4>5.270609240e-02</a4><a5>-1.886832314e-05</a5><a6>2.432255843e-09</a6><a7>-1.135553789e-13</a7><b1>-1.637529884e+04</b1><b2>-2.981862410e+01</b2></T_range></specie><specie inp_file_name="C8H8,styrene"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Ethenylbenzene. TRC(4/89) tuvw4490.</comment><reference>n 4/89</reference><elements><element C="8" /><element H="8" /></elements><condensed>False</condensed><molecular_weight>0.10414912</molecular_weight><hf298.15>148300.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-2.686930520e+05</a1><a2>6.167999470e+03</a2><a3>-4.836054940e+01</a3><a4>2.182873229e-01</a4><a5>-2.738561832e-04</a5><a6>1.810084981e-07</a6><a7>-4.867750270e-11</a7><b1>-1.140639978e+04</b1><b2>2.817679014e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-6.629183620e+06</a1><a2>1.514594166e+04</a2><a3>1.609822364e+00</a3><a4>3.383318600e-02</a4><a5>-1.093737395e-05</a5><a6>1.338825116e-09</a6><a7>-6.032534920e-14</a7><b1>-8.997324150e+04</b1><b2>4.311282790e+01</b2></T_range></specie><specie inp_file_name="C8H10,ethylbenz"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Ethylbenzene. TRC(10/86) tuvw3200.</comment><reference>n10/86</reference><elements><element C="8" /><element H="10" /></elements><condensed>False</condensed><molecular_weight>0.10616500000000001</molecular_weight><hf298.15>29920.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-4.694940000e+05</a1><a2>9.307168360e+03</a2><a3>-6.521769470e+01</a3><a4>2.612080237e-01</a4><a5>-3.181753480e-04</a5><a6>2.051355473e-07</a6><a7>-5.401817350e-11</a7><b1>-4.073870210e+04</b1><b2>3.780904360e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>5.551564100e+06</a1><a2>-2.831380598e+04</a2><a3>6.061240720e+01</a3><a4>1.042112857e-03</a4><a5>-1.327426719e-06</a5><a6>2.166031743e-10</a6><a7>-1.142545514e-14</a7><b1>1.642241062e+05</b1><b2>-3.691769820e+02</b2></T_range></specie><specie inp_file_name="C8H16,1-octene"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>TRC(4/87) tuvw2500.</comment><reference>n 4/87</reference><elements><element C="8" /><element H="16" /></elements><condensed>False</condensed><molecular_weight>0.11221263999999999</molecular_weight><hf298.15>-83590.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-9.281905220e+05</a1><a2>1.640974476e+04</a2><a3>-1.015939534e+02</a3><a4>3.748001410e-01</a4><a5>-4.590829400e-04</a5><a6>2.965335340e-07</a6><a7>-7.840445210e-11</a7><b1>-8.952426080e+04</b1><b2>5.907594270e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-4.409336070e+06</a1><a2>-4.383678800e+03</a2><a3>4.939154260e+01</a3><a4>7.912339630e-03</a4><a5>-7.888669510e-07</a5><a6>9.970212350e-12</a6><a7>1.913144872e-15</a7><b1>-1.122619342e+04</b1><b2>-2.577650649e+02</b2></T_range></specie><specie inp_file_name="C8H17,n-octyl"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>TRC(10/83) tuvw1930.</comment><reference>n10/83</reference><elements><element C="8" /><element H="17" /></elements><condensed>False</condensed><molecular_weight>0.11322058</molecular_weight><hf298.15>-16320.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.934340995e+06</a1><a2>3.054979830e+04</a2><a3>-1.767903454e+02</a3><a4>5.801596650e-01</a4><a5>-7.517414010e-04</a5><a6>5.112469030e-07</a6><a7>-1.410193662e-10</a7><b1>-1.498894706e+05</b1><b2>1.013724329e+03</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>5.632173390e+06</a1><a2>-3.821143670e+04</a2><a3>8.637927500e+01</a3><a4>-3.608931580e-03</a4><a5>2.544260445e-07</a5><a6>2.908638837e-11</a6><a7>-3.679549740e-15</a7><b1>2.103135470e+05</b1><b2>-5.262422830e+02</b2></T_range></specie><specie inp_file_name="C8H18,n-octane"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>TRC(4/85) tuvw1490.</comment><reference>n 4/85</reference><elements><element C="8" /><element H="18" /></elements><condensed>False</condensed><molecular_weight>0.11422852</molecular_weight><hf298.15>-208750.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-6.986647150e+05</a1><a2>1.338501096e+04</a2><a3>-8.415165920e+01</a3><a4>3.271936660e-01</a4><a5>-3.777209590e-04</a5><a6>2.339836988e-07</a6><a7>-6.010892650e-11</a7><b1>-9.026223250e+04</b1><b2>4.939222140e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>6.365406950e+06</a1><a2>-3.105364657e+04</a2><a3>6.969162340e+01</a3><a4>1.048059637e-02</a4><a5>-4.129621950e-06</a5><a6>5.543226320e-10</a6><a7>-2.651436499e-14</a7><b1>1.500968785e+05</b1><b2>-4.169895650e+02</b2></T_range></specie><specie inp_file_name="C8H18,isooctane"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>2,2,4-Trimethylpentane. TRC(4/85) tuvw1490.</comment><reference>n 4/85</reference><elements><element C="8" /><element H="18" /></elements><condensed>False</condensed><molecular_weight>0.11422852</molecular_weight><hf298.15>-224010.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.688758565e+05</a1><a2>3.126903227e+03</a2><a3>-2.123502828e+01</a3><a4>1.489151508e-01</a4><a5>-1.151180135e-04</a5><a6>4.473216170e-08</a6><a7>-5.554882070e-12</a7><b1>-4.468060620e+04</b1><b2>1.417455793e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.352765032e+07</a1><a2>-4.663370340e+04</a2><a3>7.795313180e+01</a3><a4>1.423729984e-02</a4><a5>-5.073593910e-06</a5><a6>7.248232970e-10</a6><a7>-3.819190110e-14</a7><b1>2.541178017e+05</b1><b2>-4.933887190e+02</b2></T_range></specie><specie inp_file_name="C9H19,n-nonyl"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>TRC (10/83) tuvw1930.</comment><reference>n10/83</reference><elements><element C="9" /><element H="19" /></elements><condensed>False</condensed><molecular_weight>0.12724716</molecular_weight><hf298.15>-37030.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-2.194880612e+06</a1><a2>3.468565780e+04</a2><a3>-2.009261419e+02</a3><a4>6.580503110e-01</a4><a5>-8.525930010e-04</a5><a6>5.794638960e-07</a6><a7>-1.597637099e-10</a7><b1>-1.723194608e+05</b1><b2>1.149114017e+03</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>5.277361740e+06</a1><a2>-4.025701960e+04</a2><a3>9.457296720e+01</a3><a4>-2.940301447e-03</a4><a5>6.978106990e-09</a5><a6>6.805250240e-11</a6><a7>-5.907095330e-15</a7><b1>2.165320614e+05</b1><b2>-5.754449500e+02</b2></T_range></specie><specie inp_file_name="C10H8,naphthale"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Naphthalene. Chen,1979.</comment><reference>g 3/01</reference><elements><element C="10" /><element H="8" /></elements><condensed>False</condensed><molecular_weight>0.12817052</molecular_weight><hf298.15>150580.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-2.602845316e+05</a1><a2>6.237409570e+03</a2><a3>-5.226095040e+01</a3><a4>2.397692776e-01</a4><a5>-2.912244803e-04</a5><a6>1.854944401e-07</a6><a7>-4.816619270e-11</a7><b1>-1.114700880e+04</b1><b2>2.972139517e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>5.906172110e+06</a1><a2>-3.163229240e+04</a2><a3>7.030342030e+01</a3><a4>-6.018865540e-03</a4><a5>1.142052144e-06</a5><a6>-1.161605689e-10</a6><a7>4.892844020e-15</a7><b1>1.962567046e+05</b1><b2>-4.347848950e+02</b2></T_range></specie><specie inp_file_name="C10H21,n-decyl"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>TRC(10/83) tuvw1930.</comment><reference>n10/83</reference><elements><element C="10" /><element H="21" /></elements><condensed>False</condensed><molecular_weight>0.14127374</molecular_weight><hf298.15>-57740.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-2.446511152e+06</a1><a2>3.870081300e+04</a2><a3>-2.244388176e+02</a3><a4>7.343624970e-01</a4><a5>-9.513525600e-04</a5><a6>6.462970330e-07</a6><a7>-1.781502862e-10</a7><b1>-1.941633889e+05</b1><b2>1.280987834e+03</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>4.967237760e+06</a1><a2>-4.242468440e+04</a2><a3>1.028853417e+02</a3><a4>-2.324848180e-03</a4><a5>-2.284233900e-07</a5><a6>1.056127364e-10</a6><a7>-8.068065900e-15</a7><b1>2.235429890e+05</b1><b2>-6.255191160e+02</b2></T_range></specie><specie inp_file_name="C12H9,o-bipheny"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>o-Biphenyl radical. Burcat,1985.</comment><reference>g 8/00</reference><elements><element C="12" /><element H="9" /></elements><condensed>False</condensed><molecular_weight>0.15319986</molecular_weight><hf298.15>427730.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-3.595840820e+05</a1><a2>7.661378560e+03</a2><a3>-5.873290460e+01</a3><a4>2.697557882e-01</a4><a5>-3.229756680e-04</a5><a6>2.032907100e-07</a6><a7>-5.231316720e-11</a7><b1>1.458414642e+04</b1><b2>3.392687110e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>6.736469420e+06</a1><a2>-3.632194350e+04</a2><a3>8.210239600e+01</a3><a4>-7.502342860e-03</a4><a5>1.456251733e-06</a5><a6>-1.507145019e-10</a6><a7>6.436470430e-15</a7><b1>2.555524521e+05</b1><b2>-5.042462970e+02</b2></T_range></specie><specie inp_file_name="C12H10,biphenyl"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Burcat,1985.</comment><reference>g 8/00</reference><elements><element C="12" /><element H="10" /></elements><condensed>False</condensed><molecular_weight>0.15420779999999998</molecular_weight><hf298.15>182130.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-3.671034050e+05</a1><a2>8.128412590e+03</a2><a3>-6.390994570e+01</a3><a4>2.901422744e-01</a4><a5>-3.509590740e-04</a5><a6>2.230989996e-07</a6><a7>-5.788470290e-11</a7><b1>-1.679263066e+04</b1><b2>3.633464190e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>7.480385360e+06</a1><a2>-3.928087230e+04</a2><a3>8.661482220e+01</a3><a4>-7.946398570e-03</a4><a5>1.531868544e-06</a5><a6>-1.576450171e-10</a6><a7>6.700602730e-15</a7><b1>2.438050641e+05</b1><b2>-5.381381490e+02</b2></T_range></specie><specie inp_file_name="Ca"><identification><InChIKey>OYPRJOBELJOOCE-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Ca]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>calcium</IUPAC_name></identification><comment>Hf:Cox,1989. Sugar,1985. Gordon,1999.</comment><reference>g 8/97</reference><elements><element Ca="1" /></elements><condensed>False</condensed><molecular_weight>0.040078</molecular_weight><hf298.15>177800.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.500000000e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>2.063892786e+04</b1><b2>4.384548330e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>7.547341240e+06</a1><a2>-2.148642662e+04</a2><a3>2.530849567e+01</a3><a4>-1.103773705e-02</a4><a5>2.293249636e-06</a5><a6>-1.209075383e-10</a6><a7>-4.015333268e-15</a7><b1>1.585862323e+05</b1><b2>-1.609512955e+02</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>2.291781634e+09</a1><a2>-1.608862960e+06</a2><a3>4.312466360e+02</a3><a4>-5.396508990e-02</a4><a5>3.531856210e-06</a5><a6>-1.164403850e-10</a6><a7>1.527134223e-15</a7><b1>1.258651434e+07</b1><b2>-3.692101610e+03</b2></T_range></specie><specie inp_file_name="Ca+"><identification><InChIKey>OYPRJOBELJOOCE-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Ca]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>calcium</IUPAC_name></identification><comment>Sugar,1985. Gordon,1999.</comment><reference>g 1/98</reference><elements><element Ca="1" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.0400774514</molecular_weight><hf298.15>773827.728</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.500000000e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>9.232417790e+04</b1><b2>5.077674980e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>3.747070820e+06</a1><a2>-1.174707738e+04</a2><a3>1.672546969e+01</a3><a4>-8.334797710e-03</a4><a5>2.394593294e-06</a5><a6>-2.988243468e-10</a6><a7>1.356563002e-14</a7><b1>1.664329088e+05</b1><b2>-9.582821260e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>9.117128410e+08</a1><a2>-6.220428460e+05</a2><a3>1.683741136e+02</a3><a4>-2.140862670e-02</a4><a5>1.452947686e-06</a5><a6>-4.920790880e-11</a6><a7>6.575369235e-16</a7><b1>4.959472060e+06</b1><b2>-1.422600719e+03</b2></T_range></specie><specie inp_file_name="CaBr"><identification><InChIKey>SKVFTPCDVGPKAP-UHFFFAOYSA-M</InChIKey><canonical_smiles>[Ca+2].[Br-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>calcium;bromide</IUPAC_name></identification><comment>Gurvich,1996a pt1 p471 pt2 p367.</comment><reference>tpis96</reference><elements><element Ca="1" /><element Br="1" /></elements><condensed>False</condensed><molecular_weight>0.119982</molecular_weight><hf298.15>-24868.681</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>5.693832620e+02</a1><a2>-1.257513537e+02</a2><a3>5.001508330e+00</a3><a4>-1.039868753e-03</a4><a5>1.377594927e-06</a5><a6>-8.949013960e-10</a6><a7>2.395658928e-13</a7><b1>-3.728103980e+03</b1><b2>1.784864847e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>2.783236402e+06</a1><a2>-8.458203730e+03</a2><a3>1.431756560e+01</a3><a4>-5.430781680e-03</a4><a5>1.522218659e-06</a5><a6>-1.831824807e-10</a6><a7>7.864288660e-15</a7><b1>4.931270680e+04</b1><b2>-6.537001100e+01</b2></T_range></specie><specie inp_file_name="CaBr2"><identification><InChIKey>WGEFECGEFUFIQW-UHFFFAOYSA-L</InChIKey><canonical_smiles>[Ca+2].[Br-].[Br-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>calcium;dibromide</IUPAC_name></identification><comment>Gurvich,1996a pt1 p474 pt2 p369.</comment><reference>tpis96</reference><elements><element Ca="1" /><element Br="2" /></elements><condensed>False</condensed><molecular_weight>0.199886</molecular_weight><hf298.15>-387197.300</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.572504318e+03</a1><a2>-2.238551236e+02</a2><a3>8.388457890e+00</a3><a4>-1.944164774e-03</a4><a5>2.397926088e-06</a5><a6>-1.556572350e-09</a6><a7>4.124309580e-13</a7><b1>-4.772106610e+04</b1><b2>-1.074965233e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.219846426e+04</a1><a2>-4.463155330e+00</a2><a3>7.503755110e+00</a3><a4>-1.641654626e-06</a4><a5>3.879428060e-10</a5><a6>-4.683424260e-14</a6><a7>2.259325541e-18</a7><b1>-4.885436820e+04</b1><b2>-5.590324250e+00</b2></T_range></specie><specie inp_file_name="CaCl"><identification><InChIKey>FJBDAVVJAPUENG-UHFFFAOYSA-M</InChIKey><canonical_smiles>[Cl-].[Ca+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>calcium;chloride</IUPAC_name></identification><comment>Gurvich,1996a pt1 p464 pt2 p363.</comment><reference>tpis96</reference><elements><element Ca="1" /><element Cl="1" /></elements><condensed>False</condensed><molecular_weight>0.075531</molecular_weight><hf298.15>-103772.885</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>6.395335260e+03</a1><a2>-2.249042269e+02</a2><a3>5.283278390e+00</a3><a4>-1.447983237e-03</a4><a5>1.643742771e-06</a5><a6>-9.430104280e-10</a6><a7>2.237516133e-13</a7><b1>-1.270169000e+04</b1><b2>-1.391964289e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.629182545e+06</a1><a2>-4.766223020e+03</a2><a3>9.658929770e+00</a3><a4>-2.523044131e-03</a4><a5>5.833542160e-07</a5><a6>-4.101726990e-11</a6><a7>8.813177640e-17</a7><b1>1.662599241e+04</b1><b2>-3.398731174e+01</b2></T_range></specie><specie inp_file_name="CaCl+"><identification><InChIKey>FJBDAVVJAPUENG-UHFFFAOYSA-M</InChIKey><canonical_smiles>[Cl-].[Ca+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>calcium;chloride</IUPAC_name></identification><comment>Gurvich,1996a pt1 p466 pt2 p364.</comment><reference>tpis96</reference><elements><element Ca="1" /><element Cl="1" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.0755304514</molecular_weight><hf298.15>467190.513</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>2.285284542e+03</a1><a2>-2.002872721e+02</a2><a3>4.936990190e+00</a3><a4>-3.860973030e-04</a4><a5>8.686661880e-08</a5><a6>1.470205680e-10</a6><a7>-7.689315870e-14</a7><b1>5.588277950e+04</b1><b2>-6.359815341e-01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.770280396e+05</a1><a2>-5.891372390e+02</a2><a3>5.103368800e+00</a3><a4>-2.356761168e-04</a4><a5>5.483732870e-08</a5><a6>2.137973112e-14</a6><a7>-5.572887310e-16</a7><b1>5.853417250e+04</b1><b2>-2.191253644e+00</b2></T_range></specie><specie inp_file_name="CaCl2"><identification><InChIKey>UXVMQQNJUSDDNG-UHFFFAOYSA-L</InChIKey><canonical_smiles>[Cl-].[Cl-].[Ca+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>calcium;dichloride</IUPAC_name></identification><comment>Gurvich,1996a pt1 p470 pt2 p366.</comment><reference>tpis96</reference><elements><element Ca="1" /><element Cl="2" /></elements><condensed>False</condensed><molecular_weight>0.110984</molecular_weight><hf298.15>-485243.477</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.106802030e+04</a1><a2>-4.249108250e+02</a2><a3>9.134711860e+00</a3><a4>-3.497185310e-03</a4><a5>4.242184630e-06</a5><a6>-2.719673231e-09</a6><a7>7.138268630e-13</a7><b1>-5.850346760e+04</b1><b2>-1.808678294e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-3.595768780e+04</a1><a2>-8.796495630e+00</a2><a3>7.507256910e+00</a3><a4>-3.129465934e-06</a4><a5>7.322886480e-10</a5><a6>-8.776403220e-14</a6><a7>4.210486040e-18</a7><b1>-6.066779660e+04</b1><b2>-8.553523451e+00</b2></T_range></specie><specie inp_file_name="CaF"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1996a pt1 p456 pt2 p359.</comment><reference>tpis96</reference><elements><element Ca="1" /><element F="1" /></elements><condensed>False</condensed><molecular_weight>0.0590764032</molecular_weight><hf298.15>-276403.790</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>3.184235400e+04</a1><a2>-4.918235090e+02</a2><a3>5.701120890e+00</a3><a4>-1.465138218e-03</a4><a5>9.092930810e-07</a5><a6>-1.367585222e-10</a6><a7>-5.106323380e-14</a7><b1>-3.197694110e+04</b1><b2>-5.996662260e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>5.195882670e+05</a1><a2>-1.512321567e+03</a2><a3>5.869276250e+00</a3><a4>-3.882524480e-04</a4><a5>-2.484582298e-08</a5><a6>3.749915960e-11</a6><a7>-3.470976450e-15</a7><b1>-2.488814584e+04</b1><b2>-8.614663700e+00</b2></T_range></specie><specie inp_file_name="CaF+"><identification><InChIKey>CERQBCLPCHKRKB-UHFFFAOYSA-M</InChIKey><canonical_smiles>[F-].[Ca+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>calcium;fluoride</IUPAC_name></identification><comment>Gurvich,1996a pt1 p460 pt2 p360.</comment><reference>tpis96</reference><elements><element Ca="1" /><element F="1" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.0590758546</molecular_weight><hf298.15>260664.608</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>4.158340800e+04</a1><a2>-5.627661660e+02</a2><a3>5.687522150e+00</a3><a4>-1.264710572e-03</a4><a5>6.669086480e-07</a5><a6>-6.926752820e-11</a6><a7>-3.978714620e-14</a7><b1>3.305119500e+04</b1><b2>-6.974485010e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.398670845e+05</a1><a2>2.191526375e+02</a2><a3>4.214324340e+00</a3><a4>2.142798048e-04</a4><a5>-5.778672600e-08</a5><a6>9.985756310e-12</a6><a7>-6.059621880e-16</a7><b1>2.841605897e+04</b1><b2>2.740342729e+00</b2></T_range></specie><specie inp_file_name="CaF2"><identification><InChIKey>WUKWITHWXAAZEY-UHFFFAOYSA-L</InChIKey><canonical_smiles>[F-].[F-].[Ca+2]</canonical_smiles><cas_number>7789-75-5</cas_number><IUPAC_name>calcium;difluoride</IUPAC_name></identification><comment>Gurvich,1996a pt1 p462 pt2 p362.</comment><reference>tpis96</reference><elements><element Ca="1" /><element F="2" /></elements><condensed>False</condensed><molecular_weight>0.0780748064</molecular_weight><hf298.15>-790828.409</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>5.909352290e+04</a1><a2>-1.019733042e+03</a2><a3>1.013165309e+01</a3><a4>-5.503506440e-03</a4><a5>5.629319980e-06</a5><a6>-3.115401465e-09</a6><a7>7.205525940e-13</a7><b1>-9.192608190e+04</b1><b2>-2.639505950e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-8.280409440e+04</a1><a2>-3.115950071e+01</a2><a3>7.023577370e+00</a3><a4>-9.521000020e-06</a4><a5>2.118160895e-09</a5><a6>-2.440713888e-13</a6><a7>1.135135468e-17</a7><b1>-9.729466770e+04</b1><b2>-7.546243340e+00</b2></T_range></specie><specie inp_file_name="CaH"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1996a pt1 p447 pt2 p353.</comment><reference>tpis96</reference><elements><element Ca="1" /><element H="1" /></elements><condensed>False</condensed><molecular_weight>0.04108594</molecular_weight><hf298.15>229409.105</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-4.513782230e+04</a1><a2>7.629429210e+02</a2><a3>-1.280874223e+00</a3><a4>1.318774659e-02</a4><a5>-1.481595334e-05</a5><a6>8.536573220e-09</a6><a7>-1.989958945e-12</a7><b1>2.300378814e+04</b1><b2>3.053421525e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.696952529e+06</a1><a2>8.607059750e+03</a2><a3>-7.027454820e+00</a3><a4>7.467916310e-03</a4><a5>-2.318610699e-06</a5><a6>3.423072420e-10</a6><a7>-1.892679792e-14</a7><b1>-2.773819107e+04</b1><b2>7.845822010e+01</b2></T_range></specie><specie inp_file_name="CaI"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1996a pt1 p474 pt2 p370.</comment><reference>tpis96</reference><elements><element Ca="1" /><element I="1" /></elements><condensed>False</condensed><molecular_weight>0.16698247</molecular_weight><hf298.15>12183.320</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-8.261790180e+02</a1><a2>-8.508975900e+01</a2><a3>4.864171690e+00</a3><a4>-7.863169650e-04</a4><a5>1.100493506e-06</a5><a6>-7.348030610e-10</a6><a7>2.010892767e-13</a7><b1>5.236753440e+02</b1><b2>3.585391680e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.771071309e+06</a1><a2>-5.683643730e+03</a2><a3>1.153857476e+01</a3><a4>-4.194020200e-03</a4><a5>1.291359961e-06</a5><a6>-1.730043579e-10</a6><a7>8.380762350e-15</a7><b1>3.583293200e+04</b1><b2>-4.405917570e+01</b2></T_range></specie><specie inp_file_name="CaI2"><identification><InChIKey>UNMYWSMUMWPJLR-UHFFFAOYSA-L</InChIKey><canonical_smiles>[Ca+2].[I-].[I-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>calcium;diiodide</IUPAC_name></identification><comment>Gurvich,1996a pt1 p477 pt2 p372.</comment><reference>tpis96</reference><elements><element Ca="1" /><element I="2" /></elements><condensed>False</condensed><molecular_weight>0.29388694</molecular_weight><hf298.15>-259319.505</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.097851401e+03</a1><a2>-1.459821761e+02</a2><a3>8.089341840e+00</a3><a4>-1.305332923e-03</a4><a5>1.624199331e-06</a5><a6>-1.061194001e-09</a6><a7>2.825551217e-13</a7><b1>-3.272692980e+04</b1><b2>-6.981714940e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.623727104e+04</a1><a2>-2.859530722e+00</a2><a3>7.502432190e+00</a3><a4>-1.071178707e-06</a4><a5>2.544559095e-10</a5><a6>-3.083631004e-14</a6><a7>1.491836724e-18</a7><b1>-3.346341170e+04</b1><b2>-3.567305740e+00</b2></T_range></specie><specie inp_file_name="CaO"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1996a pt1 p443 pt2 p349.</comment><reference>tpis96</reference><elements><element Ca="1" /><element O="1" /></elements><condensed>False</condensed><molecular_weight>0.0560774</molecular_weight><hf298.15>38005.308</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>3.889733070e+04</a1><a2>-4.835677350e+02</a2><a3>5.077713250e+00</a3><a4>3.076235250e-04</a4><a5>-1.159759897e-06</a5><a6>8.493433340e-10</a6><a7>-1.495333366e-13</a7><b1>5.937643480e+03</b1><b2>-3.955320730e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-4.913106170e+07</a1><a2>1.495865950e+05</a2><a3>-1.681654149e+02</a3><a4>9.381950260e-02</a4><a5>-2.455529428e-05</a5><a6>3.074980720e-09</a6><a7>-1.485914237e-13</a7><b1>-9.461511720e+05</b1><b2>1.235694769e+03</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>-3.504055130e+08</a1><a2>2.083212387e+05</a2><a3>-3.978209270e+01</a3><a4>5.039268720e-03</a4><a5>-3.220707680e-07</a5><a6>1.057379426e-11</a6><a7>-1.396044154e-16</a7><b1>-1.662378721e+06</b1><b2>3.934491930e+02</b2></T_range></specie><specie inp_file_name="CaO+"><identification><InChIKey>ODINCKMPIJJUCX-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[Ca]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>oxocalcium</IUPAC_name></identification><comment>Gurvich,1996a pt1 p445 pt2 p351.</comment><reference>tpis96</reference><elements><element Ca="1" /><element O="1" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.0560768514</molecular_weight><hf298.15>710237.542</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>1.098060332e+05</a1><a2>-1.459992448e+03</a2><a3>9.880777940e+00</a3><a4>-9.157564600e-03</a4><a5>8.707582560e-06</a5><a6>-4.390411080e-09</a6><a7>9.264854660e-13</a7><b1>9.150057350e+04</b1><b2>-3.009947701e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>9.397843130e+05</a1><a2>-2.993362243e+03</a2><a3>8.336191820e+00</a3><a4>-2.303295087e-03</a4><a5>7.373967530e-07</a5><a6>-1.052888279e-10</a6><a7>5.257138410e-15</a7><b1>1.028098401e+05</b1><b2>-2.461547836e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>-7.648645260e+07</a1><a2>1.739245253e+04</a2><a3>8.420288710e+00</a3><a4>-1.168386844e-03</a4><a5>8.413684900e-08</a5><a6>-2.770799280e-12</a6><a7>3.569474430e-17</a7><b1>-8.643489770e+04</b1><b2>-2.376513061e+01</b2></T_range></specie><specie inp_file_name="CaOH"><identification><InChIKey>ZLYHCTAZFNBBLQ-UHFFFAOYSA-M</InChIKey><canonical_smiles>[OH-].[Ca+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>calcium;hydroxide</IUPAC_name></identification><comment>Gurvich,1996a pt1 p451 pt2 p355.</comment><reference>tpis96</reference><elements><element Ca="1" /><element O="1" /><element H="1" /></elements><condensed>False</condensed><molecular_weight>0.057085340000000005</molecular_weight><hf298.15>-173307.350</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>4.620028900e+04</a1><a2>-9.285672820e+02</a2><a3>9.175828770e+00</a3><a4>-3.962828800e-03</a4><a5>2.505447308e-06</a5><a6>3.852068210e-11</a6><a7>-3.352778470e-13</a7><b1>-1.798009717e+04</b1><b2>-2.533704850e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.979972994e+06</a1><a2>-5.598880990e+03</a2><a3>1.151348706e+01</a3><a4>-1.668264707e-03</a4><a5>3.312573910e-07</a5><a6>-1.789056647e-11</a6><a7>-3.580716410e-16</a7><b1>1.340196822e+04</b1><b2>-4.646084260e+01</b2></T_range></specie><specie inp_file_name="CaOH+"><identification><InChIKey>ZLYHCTAZFNBBLQ-UHFFFAOYSA-M</InChIKey><canonical_smiles>[OH-].[Ca+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>calcium;hydroxide</IUPAC_name></identification><comment>Gurvich,1996a pt1 p452 pt2 p356.</comment><reference>tpis96</reference><elements><element Ca="1" /><element O="1" /><element H="1" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.0570847914</molecular_weight><hf298.15>372938.100</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>4.884342660e+04</a1><a2>-9.832415100e+02</a2><a3>9.610182950e+00</a3><a4>-5.204360660e-03</a4><a5>4.263049820e-06</a5><a6>-1.197590878e-09</a6><a7>9.028411890e-15</a7><b1>4.795056340e+04</b1><b2>-2.827077334e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>8.637615370e+05</a1><a2>-2.347302046e+03</a2><a3>7.981911200e+00</a3><a4>1.003160947e-04</a4><a5>-6.240074170e-08</a5><a6>1.019540904e-11</a6><a7>-5.698925280e-16</a7><b1>5.830580120e+04</b1><b2>-2.152181937e+01</b2></T_range></specie><specie inp_file_name="Ca(OH)2"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1996a pt1 p455 pt2 p358.</comment><reference>tpis96</reference><elements><element Ca="1" /><element O="2" /><element H="2" /></elements><condensed>False</condensed><molecular_weight>0.07409268000000001</molecular_weight><hf298.15>-598338.869</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>8.389257540e+04</a1><a2>-1.791902135e+03</a2><a3>1.621891031e+01</a3><a4>-7.840857170e-03</a4><a5>5.095111610e-06</a5><a6>-6.955487550e-11</a6><a7>-6.132152640e-13</a7><b1>-6.600405630e+04</b1><b2>-6.070913920e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.721854884e+06</a1><a2>-4.702217670e+03</a2><a3>1.396947691e+01</a3><a4>1.983791405e-04</a4><a5>-1.243050592e-07</a5><a6>2.033402404e-11</a6><a7>-1.137157819e-15</a7><b1>-4.443761350e+04</b1><b2>-5.287444860e+01</b2></T_range></specie><specie inp_file_name="CaS"><identification><InChIKey>AGVJBLHVMNHENQ-UHFFFAOYSA-N</InChIKey><canonical_smiles>[S-2].[Ca+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>calcium;sulfide</IUPAC_name></identification><comment>Gurvich,1996a pt1 p480 pt2 p374.</comment><reference>tpis96</reference><elements><element Ca="1" /><element S="1" /></elements><condensed>False</condensed><molecular_weight>0.072143</molecular_weight><hf298.15>121475.313</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>2.320990615e+04</a1><a2>-4.518446080e+02</a2><a3>6.172333750e+00</a3><a4>-3.598852020e-03</a4><a5>4.823731710e-06</a5><a6>-3.631733540e-09</a6><a7>1.212849867e-12</a7><b1>1.554597691e+04</b1><b2>-7.686936462e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.568353214e+07</a1><a2>5.293855810e+04</a2><a3>-6.322467240e+01</a3><a4>4.027726380e-02</a4><a5>-1.114855081e-05</a5><a6>1.464389344e-09</a6><a7>-7.376078970e-14</a7><b1>-3.172022670e+05</b1><b2>4.799606012e+02</b2></T_range></specie><specie inp_file_name="Ca2"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1996a pt1 p439 pt2 p347.</comment><reference>tpis96</reference><elements><element Ca="2" /></elements><condensed>False</condensed><molecular_weight>0.080156</molecular_weight><hf298.15>341765.336</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-8.582228620e+04</a1><a2>1.588188960e+02</a2><a3>1.103952055e+01</a3><a4>-3.333196760e-02</a4><a5>5.345938810e-05</a5><a6>-4.011573240e-08</a6><a7>1.160486682e-11</a7><b1>3.770350800e+04</b1><b2>-2.397744561e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>2.405966267e+05</a1><a2>5.775803820e+01</a2><a3>2.347436675e+00</a3><a4>1.199275034e-04</a4><a5>-4.329150310e-08</a5><a6>7.015302690e-12</a6><a7>-3.705660320e-16</a7><b1>4.081875400e+04</b1><b2>1.895399607e+01</b2></T_range></specie><specie inp_file_name="Cd"><identification><InChIKey>BDOSMKKIYDKNTQ-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Cd]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>cadmium</IUPAC_name></identification><comment>Hf:Cox,1989. Moore,1971. Gordon,1999.</comment><reference>g 7/97</reference><elements><element Cd="1" /></elements><condensed>False</condensed><molecular_weight>0.112411</molecular_weight><hf298.15>111800.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.081751543e-04</a1><a2>1.816433041e-06</a2><a3>2.499999989e+00</a3><a4>3.129989231e-11</a4><a5>-4.600710160e-14</a5><a6>3.407048740e-17</a6><a7>-9.989497436e-21</a7><b1>1.270099766e+04</b1><b2>5.931549760e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.699757467e+05</a1><a2>7.866001140e+02</a2><a3>1.628169079e+00</a3><a4>4.594123290e-04</a4><a5>-1.150420443e-07</a5><a6>1.074836707e-11</a6><a7>8.790199555e-17</a7><b1>7.675148260e+03</b1><b2>1.220006052e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>-1.336284287e+09</a1><a2>9.320949110e+05</a2><a3>-2.490956222e+02</a3><a4>3.302878610e-02</a4><a5>-2.200384347e-06</a5><a6>7.425712550e-11</a6><a7>-1.026730246e-15</a7><b1>-7.267528990e+06</b1><b2>2.167946107e+03</b2></T_range></specie><specie inp_file_name="Cd+"><identification><InChIKey>BDOSMKKIYDKNTQ-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Cd]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>cadmium</IUPAC_name></identification><comment>Moore,1971. Gordon,1999.</comment><reference>g 7/97</reference><elements><element Cd="1" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.1124104514</molecular_weight><hf298.15>985754.328</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>4.098344940e-04</a1><a2>-4.343581620e-06</a2><a3>2.500000019e+00</a3><a4>-4.389036810e-11</a4><a5>5.563969200e-14</a5><a6>-3.638228260e-17</a6><a7>9.607881995e-21</a7><b1>1.178129439e+05</b1><b2>6.624689450e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.484880812e+04</a1><a2>-4.669153680e+01</a2><a3>2.557883006e+00</a3><a4>-3.624701700e-05</a4><a5>1.213747570e-08</a5><a6>-2.072802814e-12</a6><a7>1.420665367e-16</a7><b1>1.181070109e+05</b1><b2>6.216414480e+00</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>-6.428364400e+07</a1><a2>4.740395160e+04</a2><a3>-1.165755517e+01</a3><a4>2.220273739e-03</a4><a5>-1.964219980e-07</a5><a6>9.262295070e-12</a6><a7>-1.560026961e-16</a7><b1>-2.489244513e+05</b1><b2>1.263946278e+02</b2></T_range></specie><specie inp_file_name="Cl"><identification><InChIKey>VEXZGXHMUGYJMC-UHFFFAOYSA-M</InChIKey><canonical_smiles>[Cl-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>chloride</IUPAC_name></identification><comment>Hf:Cox,1989. Moore,1971. Moore,1970a. Gordon,1999.</comment><reference>g 7/97</reference><elements><element Cl="1" /></elements><condensed>False</condensed><molecular_weight>0.035453000000000005</molecular_weight><hf298.15>121301.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>2.276215854e+04</a1><a2>-2.168413293e+02</a2><a3>2.745185115e+00</a3><a4>2.451101694e-03</a4><a5>-5.458011990e-06</a5><a6>4.417986880e-09</a6><a7>-1.288134004e-12</a7><b1>1.501357068e+04</b1><b2>3.102963457e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.697932930e+05</a1><a2>6.081726460e+02</a2><a3>2.128664090e+00</a3><a4>1.307367034e-04</a4><a5>-2.644883596e-08</a5><a6>2.842504775e-12</a6><a7>-1.252911731e-16</a7><b1>9.934387400e+03</b1><b2>8.844772103e+00</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>-7.139687070e+07</a1><a2>4.499936330e+04</a2><a3>-9.264315350e+00</a3><a4>1.657437964e-03</a4><a5>-1.326219399e-07</a5><a6>5.533998870e-12</a6><a7>-8.390301878e-17</a7><b1>-3.405333030e+05</b1><b2>1.069111426e+02</b2></T_range></specie><specie inp_file_name="Cl+"><identification><InChIKey>VEXZGXHMUGYJMC-UHFFFAOYSA-M</InChIKey><canonical_smiles>[Cl-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>chloride</IUPAC_name></identification><comment>Moore,1971. Moore,1970a. Gordon,1999.</comment><reference>g 1/98</reference><elements><element Cl="1" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.0354524514</molecular_weight><hf298.15>1378799.635</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>1.034697859e+05</a1><a2>-1.293758873e+03</a2><a3>8.186702690e+00</a3><a4>-9.916014600e-03</a4><a5>9.208472370e-06</a5><a6>-4.507426240e-09</a6><a7>9.182127880e-13</a7><b1>1.714758780e+05</b1><b2>-2.766417931e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>4.056409480e+04</a1><a2>-4.960165720e+01</a2><a3>3.101653630e+00</a3><a4>-5.868738290e-04</a4><a5>2.252039316e-07</a5><a6>-3.299703020e-11</a6><a7>1.708780842e-15</a7><b1>1.652982337e+05</b1><b2>2.574942598e+00</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>-3.078099946e+06</a1><a2>-6.858418280e+02</a2><a3>3.092289282e+00</a3><a4>-1.922260015e-05</a4><a5>3.805551560e-10</a5><a6>-1.571848967e-13</a6><a7>8.442513880e-18</a7><b1>1.683434405e+05</b1><b2>1.334407234e+00</b2></T_range></specie><specie inp_file_name="Cl-"><identification><InChIKey>VEXZGXHMUGYJMC-UHFFFAOYSA-M</InChIKey><canonical_smiles>[Cl-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>chloride</IUPAC_name></identification><comment>Hotop,1985. Gordon,1999.</comment><reference>g 4/97</reference><elements><element Cl="1" /><element E="1" /></elements><condensed>False</condensed><molecular_weight>0.035453548599999996</molecular_weight><hf298.15>-233957.972</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.500000000e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-2.888389093e+04</b1><b2>4.200642023e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.500000000e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-2.888389093e+04</b1><b2>4.200642023e+00</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.500000000e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-2.888389093e+04</b1><b2>4.200642023e+00</b2></T_range></specie><specie inp_file_name="ClCN"><identification><InChIKey>QPJDMGCKMHUXFD-UHFFFAOYSA-N</InChIKey><canonical_smiles>C(#N)Cl</canonical_smiles><cas_number>506-77-4</cas_number><IUPAC_name>carbononitridic chloride</IUPAC_name></identification><comment>Gurvich,1991 pt1 p230 pt2 p218</comment><reference>g 6/95</reference><elements><element Cl="1" /><element C="1" /><element N="1" /></elements><condensed>False</condensed><molecular_weight>0.061470399999999994</molecular_weight><hf298.15>134200.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>7.274043430e+04</a1><a2>-1.297344947e+03</a2><a3>1.107676527e+01</a3><a4>-1.108430216e-02</a4><a5>1.614009477e-05</a5><a6>-1.088916772e-08</a6><a7>2.830952246e-12</a7><b1>2.084388986e+04</b1><b2>-3.597370046e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>3.467573120e+05</a1><a2>-1.957857370e+03</a2><a3>8.807806150e+00</a3><a4>-4.388362780e-04</a4><a5>1.024761895e-07</a5><a6>-1.110675026e-11</a6><a7>4.986179420e-16</a7><b1>2.581923944e+04</b1><b2>-2.636885363e+01</b2></T_range></specie><specie inp_file_name="ClF"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1989 pt1 p190 pt2 p97.</comment><reference>tpis89</reference><elements><element Cl="1" /><element F="1" /></elements><condensed>False</condensed><molecular_weight>0.0544514032</molecular_weight><hf298.15>-55700.993</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>3.352210810e+04</a1><a2>-3.688311900e+02</a2><a3>4.272288620e+00</a3><a4>2.549434508e-03</a4><a5>-4.456830890e-06</a5><a6>3.413854120e-09</a6><a7>-9.838685200e-13</a7><b1>-5.839369690e+03</b1><b2>2.318014199e-01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>3.045867173e+06</a1><a2>-9.979328260e+03</a2><a3>1.684162254e+01</a3><a4>-7.465850620e-03</a4><a5>2.336213612e-06</a5><a6>-3.365865460e-10</a6><a7>1.763082415e-14</a7><b1>5.447120800e+04</b1><b2>-8.707987094e+01</b2></T_range></specie><specie inp_file_name="ClF3"><identification><InChIKey>JOHWNGGYGAVMGU-UHFFFAOYSA-N</InChIKey><canonical_smiles>FCl(F)F</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>trifluoro-$l^{3}-chlorane</IUPAC_name></identification><comment>Gurvich,1989 pt1 p193 pt2 p98.</comment><reference>tpis89</reference><elements><element Cl="1" /><element F="3" /></elements><condensed>False</condensed><molecular_weight>0.0924482096</molecular_weight><hf298.15>-164600.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.285175171e+05</a1><a2>-2.140445721e+03</a2><a3>1.493096474e+01</a3><a4>-6.042471040e-03</a4><a5>3.718968610e-06</a5><a6>-8.053201100e-10</a6><a7>-7.985600530e-14</a7><b1>-1.138459640e+04</b1><b2>-5.594838353e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.294956235e+05</a1><a2>-1.220741000e+02</a2><a3>1.009124644e+01</a3><a4>-3.649724750e-05</a4><a5>8.058910750e-09</a5><a6>-9.230849950e-13</a6><a7>4.272569490e-17</a7><b1>-2.282840447e+04</b1><b2>-2.511605479e+01</b2></T_range></specie><specie inp_file_name="ClF5"><identification><InChIKey>KNSWNNXPAWSACI-UHFFFAOYSA-N</InChIKey><canonical_smiles>FCl(F)(F)(F)F</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>pentafluoro-$l^{5}-chlorane</IUPAC_name></identification><comment>Gurvich,1989 pt1 p194 pt2 p99.</comment><reference>tpis89</reference><elements><element Cl="1" /><element F="5" /></elements><condensed>False</condensed><molecular_weight>0.130445016</molecular_weight><hf298.15>-238000.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>2.459703939e+05</a1><a2>-4.315348070e+03</a2><a3>2.727005972e+01</a3><a4>-1.670193839e-02</a4><a5>1.421668208e-05</a5><a6>-6.426479740e-09</a6><a7>1.183099799e-12</a7><b1>-1.071423726e+04</b1><b2>-1.267466837e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-4.269327450e+05</a1><a2>-2.058057390e+02</a2><a3>1.615465278e+01</a3><a4>-6.212688180e-05</a4><a5>1.376637959e-08</a5><a6>-1.581335709e-12</a6><a7>7.336422490e-17</a7><b1>-3.361466600e+04</b1><b2>-5.757531175e+01</b2></T_range></specie><specie inp_file_name="ClO"><identification><InChIKey>WQYVRQLZKVEZGA-UHFFFAOYSA-N</InChIKey><canonical_smiles>[O-]Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>hypochlorite</IUPAC_name></identification><comment>Gurvich,1989 pt1 p180 pt2 p90.</comment><reference>tpis89</reference><elements><element Cl="1" /><element O="1" /></elements><condensed>False</condensed><molecular_weight>0.051452399999999995</molecular_weight><hf298.15>101621.115</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.687268145e+04</a1><a2>2.573812247e+02</a2><a3>2.175846120e+00</a3><a4>6.432061130e-03</a4><a5>-8.568249500e-06</a5><a6>5.764971250e-09</a6><a7>-1.545771209e-12</a7><b1>9.829518980e+03</b1><b2>1.386010503e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>4.093760520e+05</a1><a2>-1.765985112e+03</a2><a3>7.087900630e+00</a3><a4>-1.828450169e-03</a4><a5>7.103818100e-07</a5><a6>-1.209332942e-10</a6><a7>7.076441040e-15</a7><b1>2.151891784e+04</b1><b2>-1.668645548e+01</b2></T_range></specie><specie inp_file_name="ClO2"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1989 pt1 p182 pt2 p91.</comment><reference>g 7/93</reference><elements><element Cl="1" /><element O="2" /></elements><condensed>False</condensed><molecular_weight>0.0674518</molecular_weight><hf298.15>105000.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.127277696e+04</a1><a2>3.903032030e+02</a2><a3>-3.843018530e-01</a3><a4>2.108677947e-02</a4><a5>-2.793137755e-05</a5><a6>1.841289286e-08</a6><a7>-4.839779150e-12</a7><b1>9.756933670e+03</b1><b2>2.913262700e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.633793802e+05</a1><a2>-3.161480670e+02</a2><a3>7.009787260e+00</a3><a4>2.837971144e-04</a4><a5>-1.179925338e-07</a5><a6>2.920383252e-11</a6><a7>-2.024030202e-15</a7><b1>1.184946452e+04</b1><b2>-1.091168827e+01</b2></T_range></specie><specie inp_file_name="Cl2"><identification><InChIKey>KZBUYRJDOAKODT-UHFFFAOYSA-N</InChIKey><canonical_smiles>ClCl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>molecular chlorine</IUPAC_name></identification><comment>Ref-Elm. Gurvich,1989 pt1 p177 pt2 p88.</comment><reference>tpis89</reference><elements><element Cl="2" /></elements><condensed>False</condensed><molecular_weight>0.07090600000000001</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>3.462815170e+04</a1><a2>-5.547126520e+02</a2><a3>6.207589370e+00</a3><a4>-2.989632078e-03</a4><a5>3.173027290e-06</a5><a6>-1.793629562e-09</a6><a7>4.260043590e-13</a7><b1>1.534069331e+03</b1><b2>-9.438331107e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>6.092569420e+06</a1><a2>-1.949627662e+04</a2><a3>2.854535795e+01</a3><a4>-1.449968764e-02</a4><a5>4.463890770e-06</a5><a6>-6.358525860e-10</a6><a7>3.327360290e-14</a7><b1>1.212117724e+05</b1><b2>-1.690778824e+02</b2></T_range></specie><specie inp_file_name="Cl2O"><identification><InChIKey>RCJVRSBWZCNNQT-UHFFFAOYSA-N</InChIKey><canonical_smiles>O(Cl)Cl</canonical_smiles><cas_number>7791-21-1</cas_number><IUPAC_name>chloro hypochlorite</IUPAC_name></identification><comment>Gurvich,1989 pt1 p184 pt2 p92.</comment><reference>tpis89</reference><elements><element Cl="2" /><element O="1" /></elements><condensed>False</condensed><molecular_weight>0.0869054</molecular_weight><hf298.15>79000.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>7.798855400e+04</a1><a2>-1.182537879e+03</a2><a3>9.526514660e+00</a3><a4>-2.596163176e-03</a4><a5>8.696781310e-07</a5><a6>4.484098270e-10</a6><a7>-3.044511967e-13</a7><b1>1.376729572e+04</b1><b2>-2.484690718e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.271743461e+05</a1><a2>-6.741963220e+01</a2><a3>7.050022450e+00</a3><a4>-1.988084386e-05</a4><a5>4.366209050e-09</a5><a6>-4.978580680e-13</a6><a7>2.295679186e-17</a7><b1>7.387289300e+03</b1><b2>-8.797477254e+00</b2></T_range></specie><specie inp_file_name="Co"><identification><InChIKey>GUTLYIVDDKVIGB-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Co]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>cobalt</IUPAC_name></identification><comment>Hf:Hultgren,1973. Sugar,1985. Gordon,1999.</comment><reference>g 7/97</reference><elements><element Co="1" /></elements><condensed>False</condensed><molecular_weight>0.0589332</molecular_weight><hf298.15>428441.600</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-2.598939184e+03</a1><a2>2.461989844e+02</a2><a3>-6.106058370e-01</a3><a4>1.393005772e-02</a4><a5>-2.210012979e-05</a5><a6>1.623755261e-08</a6><a7>-4.534904351e-12</a7><b1>4.984613760e+04</b1><b2>2.257584199e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.381841305e+06</a1><a2>-3.756036680e+03</a2><a3>6.657130650e+00</a3><a4>-1.269246675e-03</a4><a5>1.464092329e-07</a5><a6>6.574946570e-12</a6><a7>-1.102384178e-15</a7><b1>7.494442910e+04</b1><b2>-2.258500836e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>-5.468015750e+08</a1><a2>4.037704950e+05</a2><a3>-1.142413163e+02</a3><a4>1.663014422e-02</a4><a5>-1.156228007e-06</a5><a6>3.862515150e-11</a6><a7>-5.002032746e-16</a7><b1>-3.076031798e+06</b1><b2>1.003028648e+03</b2></T_range></specie><specie inp_file_name="Co+"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Sugar,1985. Gordon,1999.</comment><reference>g 7/97</reference><elements><element Co="1" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.058932651399999994</molecular_weight><hf298.15>1193003.307</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>1.028494160e+05</a1><a2>-8.744731260e+02</a2><a3>4.279500280e+00</a3><a4>2.225857835e-03</a4><a5>-7.457274570e-06</a5><a6>7.279221950e-09</a6><a7>-2.347541963e-12</a7><b1>1.474895959e+05</b1><b2>-5.679019220e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>2.907386174e+06</a1><a2>-8.619705750e+03</a2><a3>1.188134934e+01</a3><a4>-3.510647420e-03</a4><a5>5.748004680e-07</a5><a6>-2.534065135e-11</a6><a7>2.976607469e-16</a7><b1>1.977419221e+05</b1><b2>-6.096533440e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>2.701785479e+09</a1><a2>-1.604232092e+06</a2><a3>3.687314770e+02</a3><a4>-4.041150820e-02</a4><a5>2.371848586e-06</a5><a6>-7.119952160e-11</a6><a7>8.635423717e-16</a7><b1>1.293631390e+07</b1><b2>-3.201662470e+03</b2></T_range></specie><specie inp_file_name="Co-"><identification><InChIKey>GUTLYIVDDKVIGB-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Co]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>cobalt</IUPAC_name></identification><comment>Hotop,1985. Gordon,1999.</comment><reference>g 9/97</reference><elements><element Co="1" /><element E="1" /></elements><condensed>False</condensed><molecular_weight>0.0589337486</molecular_weight><hf298.15>358414.372</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>3.459493760e+04</a1><a2>-1.355041712e+02</a2><a3>1.116330898e+00</a3><a4>9.042761830e-03</a4><a5>-1.454296726e-05</a5><a6>9.994940630e-09</a6><a7>-2.595633259e-12</a7><b1>4.337037820e+04</b1><b2>1.270494975e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-5.741394170e+05</a1><a2>1.763109207e+03</a2><a3>1.415561988e+00</a3><a4>3.776869690e-04</a4><a5>-7.534179980e-08</a5><a6>7.995701540e-12</a6><a7>-3.490440000e-16</a7><b1>3.083493114e+04</b1><b2>1.634360353e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>-7.121795840e+05</a1><a2>7.962447120e+02</a2><a3>2.328870839e+00</a3><a4>1.919463732e-05</a4><a5>-1.179708474e-09</a5><a6>3.764228600e-14</a6><a7>-4.875340940e-19</a7><b1>3.689285080e+04</b1><b2>9.511282720e+00</b2></T_range></specie><specie inp_file_name="Cr"><identification><InChIKey>VYZAMTAEIAYCRO-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Cr]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>chromium</IUPAC_name></identification><comment>Hf:Chase,1998 p963 6/79. Sugar,1985. Gordon,1999.</comment><reference>g 7/97</reference><elements><element Cr="1" /></elements><condensed>False</condensed><molecular_weight>0.051996099999999996</molecular_weight><hf298.15>397480.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.335658217e+03</a1><a2>-2.102424026e+01</a2><a3>2.631908173e+00</a3><a4>-4.246263250e-04</a4><a5>7.439194160e-07</a5><a6>-6.763931630e-10</a6><a7>2.507855625e-13</a7><b1>4.715866640e+04</b1><b2>6.005425450e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.120220789e+07</a1><a2>3.401163690e+04</a2><a3>-3.657062170e+01</a3><a4>2.110296902e-02</a4><a5>-5.518180140e-06</a5><a6>7.173601710e-10</a6><a7>-3.505127367e-14</a7><b1>-1.688993440e+05</b1><b2>2.864481267e+02</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>3.900886930e+09</a1><a2>-2.462918543e+06</a2><a3>5.915632640e+02</a3><a4>-6.697121640e-02</a4><a5>3.946957790e-06</a5><a6>-1.166504597e-10</a6><a7>1.367279456e-15</a7><b1>1.955381984e+07</b1><b2>-5.133510550e+03</b2></T_range></specie><specie inp_file_name="Cr+"><identification><InChIKey>VYZAMTAEIAYCRO-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Cr]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>chromium</IUPAC_name></identification><comment>Sugar,1985. Gordon,1999.</comment><reference>g 7/97</reference><elements><element Cr="1" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.0519955514</molecular_weight><hf298.15>1056546.728</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>1.819187467e+02</a1><a2>-2.188843517e+00</a2><a3>2.510676511e+00</a3><a4>-2.706791825e-05</a4><a5>3.768492630e-08</a5><a6>-2.736784742e-11</a6><a7>8.115389932e-15</a7><b1>1.263380825e+05</b1><b2>6.506276170e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>3.342330790e+06</a1><a2>-1.064261051e+04</a2><a3>1.557884307e+01</a3><a4>-7.708971480e-03</a4><a5>2.158300274e-06</a5><a6>-2.368108110e-10</a6><a7>8.952805604e-15</a7><b1>1.932997670e+05</b1><b2>-8.604356670e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>4.853867040e+08</a1><a2>-4.114535830e+05</a2><a3>1.242898882e+02</a3><a4>-1.610102894e-02</a4><a5>1.147677369e-06</a5><a6>-4.099673600e-11</a6><a7>5.728606039e-16</a7><b1>3.281645810e+06</b1><b2>-1.034723629e+03</b2></T_range></specie><specie inp_file_name="Cr-"><identification><InChIKey>VYZAMTAEIAYCRO-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Cr]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>chromium</IUPAC_name></identification><comment>Hotop,1985. Gordon,1999.</comment><reference>g10/97</reference><elements><element Cr="1" /><element E="1" /></elements><condensed>False</condensed><molecular_weight>0.0519966486</molecular_weight><hf298.15>327023.428</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.500000000e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>3.858627870e+04</b1><b2>6.566835370e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.500000000e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>3.858627870e+04</b1><b2>6.566835370e+00</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.500000000e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>3.858627870e+04</b1><b2>6.566835370e+00</b2></T_range></specie><specie inp_file_name="CrN"><identification><InChIKey>CXOWYMLTGOFURZ-UHFFFAOYSA-N</InChIKey><canonical_smiles>N#[Cr]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>azanylidynechromium</IUPAC_name></identification><comment>Chase,1998 p967.</comment><reference>j12/73</reference><elements><element Cr="1" /><element N="1" /></elements><condensed>False</condensed><molecular_weight>0.0660028</molecular_weight><hf298.15>505008.800</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-8.239129220e+03</a1><a2>3.008144202e+02</a2><a3>5.147874920e-01</a3><a4>1.129636791e-02</a4><a5>-1.515183504e-05</a5><a6>1.010997229e-08</a6><a7>-2.687775750e-12</a7><b1>5.845628120e+04</b1><b2>2.298028696e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.110672490e+06</a1><a2>-3.690478540e+03</a2><a3>8.599056680e+00</a3><a4>-2.125587223e-03</a4><a5>5.282358480e-07</a5><a6>-4.921139150e-11</a6><a7>1.404331106e-15</a7><b1>8.254804580e+04</b1><b2>-2.799968411e+01</b2></T_range></specie><specie inp_file_name="CrO"><identification><InChIKey>XVOFZWCCFLVFRR-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[Cr]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>oxochromium</IUPAC_name></identification><comment>Gurvich,1982 pt1 p13 pt2 p17.</comment><reference>tpis82</reference><elements><element Cr="1" /><element O="1" /></elements><condensed>False</condensed><molecular_weight>0.0679955</molecular_weight><hf298.15>186581.318</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>9.373334110e+03</a1><a2>1.369743818e+02</a2><a3>1.621443428e+00</a3><a4>8.814095960e-03</a4><a5>-1.232845360e-05</a5><a6>8.497960940e-09</a6><a7>-2.315804197e-12</a7><b1>2.090948871e+04</b1><b2>1.781935787e+01</b2></T_range><T_range Thigh="6000.0" 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Thigh="1000.0" Tlow="200.0"><a1>3.548629900e+04</a1><a2>-2.298628537e+02</a2><a3>2.286289393e+00</a3><a4>1.616929338e-02</a4><a5>-2.345198910e-05</a5><a6>1.631365714e-08</a6><a7>-4.444269620e-12</a7><b1>-1.278912840e+04</b1><b2>1.442954956e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-4.327109140e+05</a1><a2>1.915584657e+02</a2><a3>7.188247370e+00</a3><a4>-5.694846190e-04</a4><a5>3.546366130e-07</a5><a6>-5.655123060e-11</a6><a7>2.908946349e-15</a7><b1>-1.743339545e+04</b1><b2>-1.006424720e+01</b2></T_range></specie><specie inp_file_name="CrO3"><identification><InChIKey>WGLPBDUCMAPZCE-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[Cr](=O)=O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>trioxochromium</IUPAC_name></identification><comment>Gurvich,1982 pt1 p17 pt2 p20.</comment><reference>tpis82</reference><elements><element Cr="1" /><element O="3" /></elements><condensed>False</condensed><molecular_weight>0.0999943</molecular_weight><hf298.15>-322037.084</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>4.183020060e+04</a1><a2>-5.059348850e+02</a2><a3>4.432715670e+00</a3><a4>1.995079387e-02</a4><a5>-2.920597649e-05</a5><a6>2.039330280e-08</a6><a7>-5.580086630e-12</a7><b1>-3.769702400e+04</b1><b2>8.653827280e-01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-6.283314010e+05</a1><a2>6.928158180e+02</a2><a3>8.971274600e+00</a3><a4>6.823365640e-04</a4><a5>-2.235048825e-07</a5><a6>3.366785790e-11</a6><a7>-1.614026492e-15</a7><b1>-4.723880200e+04</b1><b2>-1.945305345e+01</b2></T_range></specie><specie inp_file_name="CrO3-"><identification><InChIKey>WGLPBDUCMAPZCE-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[Cr](=O)=O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>trioxochromium</IUPAC_name></identification><comment>Gurvich,1982 pt1 p18 pt2 p21.</comment><reference>tpis82</reference><elements><element Cr="1" /><element O="3" /><element E="1" /></elements><condensed>False</condensed><molecular_weight>0.09999484859999999</molecular_weight><hf298.15>-632850.845</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>1.873455703e+05</a1><a2>-2.300722991e+03</a2><a3>1.343953022e+01</a3><a4>-1.663085846e-03</a4><a5>-1.443973096e-06</a5><a6>2.045898933e-09</a6><a7>-6.837555300e-13</a7><b1>-6.630111580e+04</b1><b2>-4.930644200e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-6.499682030e+05</a1><a2>4.522017620e+02</a2><a3>9.980575900e+00</a3><a4>-4.214136730e-04</a4><a5>2.631277945e-07</a5><a6>-4.594543650e-11</a6><a7>2.659097549e-15</a7><b1>-8.350019730e+04</b1><b2>-2.464810900e+01</b2></T_range></specie><specie inp_file_name="Cs"><identification><InChIKey>TVFDJXOCXUVLDH-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Cs]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>cesium</IUPAC_name></identification><comment>Hf:Cox,1989. Moore,1971. Moore,1970a. Gordon,1999.</comment><reference>g 7/97</reference><elements><element Cs="1" /></elements><condensed>False</condensed><molecular_weight>0.13290545</molecular_weight><hf298.15>76500.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>5.466584070e+01</a1><a2>-8.279346040e-01</a2><a3>2.504942210e+00</a3><a4>-1.494620690e-05</a4><a5>2.425976774e-08</a5><a6>-2.013172322e-11</a6><a7>6.704271991e-15</a7><b1>8.459321390e+03</b1><b2>6.848825772e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>6.166040900e+06</a1><a2>-1.896175522e+04</a2><a3>2.483229903e+01</a3><a4>-1.251977234e-02</a4><a5>3.309017390e-06</a5><a6>-3.354012020e-10</a6><a7>9.626500908e-15</a7><b1>1.285111231e+05</b1><b2>-1.522942188e+02</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>-9.566231720e+08</a1><a2>4.321690420e+05</a2><a3>-6.371801020e+01</a3><a4>5.246260580e-03</a4><a5>-2.366560159e-07</a5><a6>5.848488480e-12</a6><a7>-6.169370441e-17</a7><b1>-3.585268840e+06</b1><b2>6.156618174e+02</b2></T_range></specie><specie inp_file_name="Cs+"><identification><InChIKey>NCMHKCKGHRPLCM-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Cs+]</canonical_smiles><cas_number>61373-41-9</cas_number><IUPAC_name>cesium(1+)</IUPAC_name></identification><comment>Moore,1971. 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Gordon,1999.</comment><reference>g10/97</reference><elements><element Cs="1" /><element E="1" /></elements><condensed>False</condensed><molecular_weight>0.1329059986</molecular_weight><hf298.15>24797.228</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.500000000e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>2.237029001e+03</b1><b2>6.182770382e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.500000000e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>2.237029001e+03</b1><b2>6.182770382e+00</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.500000000e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>2.237029001e+03</b1><b2>6.182770382e+00</b2></T_range></specie><specie inp_file_name="CsBO2"><identification><InChIKey>ACPSIPROFDGOGE-UHFFFAOYSA-N</InChIKey><canonical_smiles>B(=O)[O-].[Cs+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>cesium;oxido(oxo)borane</IUPAC_name></identification><comment>Gurvich,1982 pt1 p505 pt2 p526.</comment><reference>tpis82</reference><elements><element Cs="1" /><element B="1" /><element O="2" /></elements><condensed>False</condensed><molecular_weight>0.17571525</molecular_weight><hf298.15>-686901.906</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>4.193609580e+04</a1><a2>-6.664237400e+02</a2><a3>8.134835880e+00</a3><a4>2.902960302e-03</a4><a5>-7.881467920e-07</a5><a6>-8.327694540e-10</a6><a7>4.441719110e-13</a7><b1>-8.122320070e+04</b1><b2>-1.121622595e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>8.975579890e+04</a1><a2>-1.656134283e+03</a2><a3>1.116468934e+01</a3><a4>-4.476366990e-04</a4><a5>9.621091810e-08</a5><a6>-1.081470115e-11</a6><a7>4.938446740e-16</a7><b1>-7.610479670e+04</b1><b2>-3.036616012e+01</b2></T_range></specie><specie inp_file_name="CsBr"><identification><InChIKey>LYQFWZFBNBDLEO-UHFFFAOYSA-M</InChIKey><canonical_smiles>[Br-].[Cs+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>cesium;bromide</IUPAC_name></identification><comment>Gurvich,1982 pt1 p490 pt2 p512.</comment><reference>tpis82</reference><elements><element Cs="1" /><element Br="1" /></elements><condensed>False</condensed><molecular_weight>0.21280945</molecular_weight><hf298.15>-206828.875</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.639263647e+03</a1><a2>-6.947477970e+01</a2><a3>4.860058720e+00</a3><a4>-8.587780150e-04</a4><a5>1.375177550e-06</a5><a6>-9.891766980e-10</a6><a7>2.895433432e-13</a7><b1>-2.589550471e+04</b1><b2>4.465355690e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.528329963e+05</a1><a2>1.259712657e+03</a2><a3>1.704268408e+00</a3><a4>2.776255318e-03</a4><a5>-1.228389838e-06</a5><a6>2.698111786e-10</a6><a7>-1.983534480e-14</a7><b1>-3.327842030e+04</b1><b2>2.484116659e+01</b2></T_range></specie><specie inp_file_name="CsCl"><identification><InChIKey>AIYUHDOJVYHVIT-UHFFFAOYSA-M</InChIKey><canonical_smiles>[Cl-].[Cs+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>cesium;chloride</IUPAC_name></identification><comment>Gurvich,1982 pt1 p487 pt2 p509.</comment><reference>tpis82</reference><elements><element Cs="1" /><element Cl="1" /></elements><condensed>False</condensed><molecular_weight>0.16835845</molecular_weight><hf298.15>-242228.878</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-2.538165292e+04</a1><a2>2.972839326e+02</a2><a3>2.667813848e+00</a3><a4>5.583272410e-03</a4><a5>-8.529005090e-06</a5><a6>6.595191390e-09</a6><a7>-1.989715823e-12</a7><b1>-3.189251450e+04</b1><b2>1.511365709e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-3.674923480e+06</a1><a2>1.186152941e+04</a2><a3>-1.063287842e+01</a3><a4>9.804117920e-03</a4><a5>-3.277797460e-06</a5><a6>5.534233390e-10</a6><a7>-3.401231500e-14</a7><b1>-1.048658658e+05</b1><b2>1.114096064e+02</b2></T_range></specie><specie inp_file_name="CsF"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1982 pt1 p483 pt2 p506.</comment><reference>tpis82</reference><elements><element Cs="1" /><element F="1" /></elements><condensed>False</condensed><molecular_weight>0.1519038532</molecular_weight><hf298.15>-364214.884</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.843685799e+04</a1><a2>-4.042409390e+02</a2><a3>6.383178860e+00</a3><a4>-4.674323370e-03</a4><a5>6.630134010e-06</a5><a6>-4.760905530e-09</a6><a7>1.374569797e-12</a7><b1>-4.318489590e+04</b1><b2>-7.226593230e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.850863231e+06</a1><a2>5.625298800e+03</a2><a3>-2.250022212e+00</a3><a4>4.109243540e-03</a4><a5>-1.250243837e-06</a5><a6>1.941483152e-10</a6><a7>-1.071166179e-14</a7><b1>-8.079827790e+04</b1><b2>5.135559450e+01</b2></T_range></specie><specie inp_file_name="CsH"><identification><InChIKey>HXCOCQWMKNUQSA-UHFFFAOYSA-N</InChIKey><canonical_smiles>[H-].[Cs+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>cesium;hydride</IUPAC_name></identification><comment>Gurvich,1982 pt1 p477 pt2 p501.</comment><reference>tpis82</reference><elements><element Cs="1" /><element H="1" /></elements><condensed>False</condensed><molecular_weight>0.13391339</molecular_weight><hf298.15>115950.106</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.620544411e+04</a1><a2>-7.087016280e+01</a2><a3>2.480847135e+00</a3><a4>7.021985990e-03</a4><a5>-1.007126309e-05</a5><a6>7.090639030e-09</a6><a7>-1.950395735e-12</a7><b1>1.342777328e+04</b1><b2>9.894247170e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-9.112146650e+05</a1><a2>3.576472750e+03</a2><a3>-1.258058765e+00</a3><a4>4.314855150e-03</a4><a5>-1.407820502e-06</a5><a6>2.154598897e-10</a6><a7>-1.254525606e-14</a7><b1>-9.158717270e+03</b1><b2>3.908800030e+01</b2></T_range></specie><specie inp_file_name="CsI"><identification><InChIKey>XQPRBTXUXXVTKB-UHFFFAOYSA-M</InChIKey><canonical_smiles>[I-].[Cs+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>cesium;iodide</IUPAC_name></identification><comment>Gurvich,1982 pt1 p494 pt2 p515.</comment><reference>tpis82</reference><elements><element Cs="1" /><element I="1" /></elements><condensed>False</condensed><molecular_weight>0.25980991999999997</molecular_weight><hf298.15>-152319.873</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-4.072685650e+03</a1><a2>2.330073667e+01</a2><a3>4.387277690e+00</a3><a4>3.412084290e-04</a4><a5>-2.175588153e-07</a5><a6>8.906787000e-11</a6><a7>-2.182639837e-15</a7><b1>-1.978766885e+04</b1><b2>8.074657820e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>4.511259050e+06</a1><a2>-1.341706362e+04</a2><a3>1.980984712e+01</a3><a4>-8.359855550e-03</a4><a5>2.348201245e-06</a5><a6>-2.874285248e-10</a6><a7>1.208087750e-14</a7><b1>6.573439130e+04</b1><b2>-1.021032592e+02</b2></T_range></specie><specie inp_file_name="CsLi"><identification><InChIKey>RIGBZYLDLQCFPG-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Li+].[Cs+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>cesium;lithium</IUPAC_name></identification><comment>Gurvich,1982 pt1 p505 pt2 p527.</comment><reference>tpis82</reference><elements><element Cs="1" /><element Li="1" /></elements><condensed>False</condensed><molecular_weight>0.13984645</molecular_weight><hf298.15>162146.324</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.368709568e+03</a1><a2>-7.451297060e+01</a2><a3>4.845620930e+00</a3><a4>-5.573667210e-04</a4><a5>4.953326760e-07</a5><a6>4.369068910e-10</a6><a7>-4.608145770e-13</a7><b1>1.850577392e+04</b1><b2>2.112012017e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>7.481630230e+06</a1><a2>-2.885297839e+04</a2><a3>4.631104990e+01</a3><a4>-2.784288108e-02</a4><a5>8.787413490e-06</a5><a6>-1.264901197e-09</a6><a7>6.720186280e-14</a7><b1>1.945137819e+05</b1><b2>-2.857846194e+02</b2></T_range></specie><specie 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Tlow="1000.0"><a1>-1.633503154e+05</a1><a2>-8.468879580e+02</a2><a3>1.062853461e+01</a3><a4>-2.508799215e-04</a4><a5>5.541255770e-08</a5><a6>-6.355591950e-12</a6><a7>2.946880031e-16</a7><b1>-2.403040739e+04</b1><b2>-2.443488888e+01</b2></T_range></specie><specie inp_file_name="CsNO3"><identification><InChIKey>NLSCHDZTHVNDCP-UHFFFAOYSA-N</InChIKey><canonical_smiles>[N+](=O)([O-])[O-].[Cs+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>cesium;nitrate</IUPAC_name></identification><comment>Gurvich,1982 pt1 p501 pt2 p522.</comment><reference>tpis82</reference><elements><element Cs="1" /><element N="1" /><element O="3" /></elements><condensed>False</condensed><molecular_weight>0.19491034999999998</molecular_weight><hf298.15>-318486.390</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-2.677219779e+04</a1><a2>9.011692690e+02</a2><a3>-3.265340820e+00</a3><a4>4.298377700e-02</a4><a5>-5.386751380e-05</a5><a6>3.384527520e-08</a6><a7>-8.565223660e-12</a7><b1>-4.405304140e+04</b1><b2>5.118862689e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-3.147517676e+05</a1><a2>-1.367011655e+03</a2><a3>1.401012848e+01</a3><a4>-4.018647130e-04</a4><a5>8.853614700e-08</a5><a6>-1.013466457e-11</a6><a7>4.691758730e-16</a7><b1>-3.549026670e+04</b1><b2>-4.500692791e+01</b2></T_range></specie><specie inp_file_name="CsNa"><identification><InChIKey>TWSFNFWXBPWFPF-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Na+].[Cs+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>cesium;sodium</IUPAC_name></identification><comment>Gurvich,1982 pt1 p506 pt2 p528.</comment><reference>tpis82</reference><elements><element Cs="1" /><element Na="1" /></elements><condensed>False</condensed><molecular_weight>0.15589522</molecular_weight><hf298.15>125907.329</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>2.521738609e+04</a1><a2>-4.295362490e+02</a2><a3>7.223094740e+00</a3><a4>-8.460463000e-03</a4><a5>1.443905157e-05</a5><a6>-1.143624855e-08</a6><a7>3.183721930e-12</a7><b1>1.579099265e+04</b1><b2>-8.838790300e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>3.879556790e+06</a1><a2>-1.780167288e+04</a2><a3>3.491355800e+01</a3><a4>-2.320080793e-02</a4><a5>7.861975840e-06</a5><a6>-1.171011257e-09</a6><a7>6.323927370e-14</a7><b1>1.195776556e+05</b1><b2>-2.001754433e+02</b2></T_range></specie><specie inp_file_name="CsO"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1982 pt1 p471 pt2 p493.</comment><reference>tpis82</reference><elements><element Cs="1" /><element O="1" /></elements><condensed>False</condensed><molecular_weight>0.14890485</molecular_weight><hf298.15>37587.318</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>8.683958810e+03</a1><a2>4.250278170e+02</a2><a3>-3.484055300e+00</a3><a4>3.801969830e-02</a4><a5>-6.651927560e-05</a5><a6>5.173472190e-08</a6><a7>-1.512567066e-11</a7><b1>1.969690015e+03</b1><b2>4.240796140e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>8.375544350e+05</a1><a2>-2.418205772e+03</a2><a3>8.908065350e+00</a3><a4>-3.378180040e-03</a4><a5>1.312755917e-06</a5><a6>-2.150508925e-10</a6><a7>1.219138980e-14</a7><b1>1.809493447e+04</b1><b2>-2.460858580e+01</b2></T_range></specie><specie inp_file_name="CsOH"><identification><InChIKey>HUCVOHYBFXVBRW-UHFFFAOYSA-M</InChIKey><canonical_smiles>[OH-].[Cs+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>cesium;hydroxide</IUPAC_name></identification><comment>Gurvich,1997.</comment><reference>g 9/97</reference><elements><element Cs="1" /><element O="1" /><element H="1" /></elements><condensed>False</condensed><molecular_weight>0.14991279</molecular_weight><hf298.15>-256000.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>9.386960790e+03</a1><a2>-5.009354260e+02</a2><a3>8.301351980e+00</a3><a4>-3.235596840e-03</a4><a5>2.612406777e-06</a5><a6>-4.950613410e-10</a6><a7>-1.038364927e-13</a7><b1>-3.025722427e+04</b1><b2>-1.742194837e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>8.967171130e+05</a1><a2>-2.323978587e+03</a2><a3>7.959644870e+00</a3><a4>1.101149275e-04</a4><a5>-6.466013970e-08</a5><a6>1.045968201e-11</a6><a7>-5.822514170e-16</a7><b1>-1.736258234e+04</b1><b2>-1.864239624e+01</b2></T_range></specie><specie inp_file_name="CsRb"><identification><InChIKey>LGBOWELZNYLXDK-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Rb+].[Cs+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>cesium;rubidium(1+)</IUPAC_name></identification><comment>Gurvich,1982 pt1 p508 pt2 p530.</comment><reference>tpis82</reference><elements><element Cs="1" /><element Rb="1" /></elements><condensed>False</condensed><molecular_weight>0.21837325000000002</molecular_weight><hf298.15>111477.332</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-4.910922680e+03</a1><a2>-9.209015550e+00</a2><a3>5.193377890e+00</a3><a4>-4.390246990e-03</a4><a5>1.254790436e-05</a5><a6>-1.414878514e-08</a6><a7>5.101441310e-12</a7><b1>1.200498171e+04</b1><b2>5.361542930e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.328693378e+07</a1><a2>3.414579470e+04</a2><a3>-2.373696406e+01</a3><a4>7.070465400e-03</a4><a5>3.863450970e-07</a5><a6>-3.158132986e-10</a6><a7>2.667747207e-14</a7><b1>-2.124008997e+05</b1><b2>2.239970251e+02</b2></T_range></specie><specie inp_file_name="Cs2"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1982 pt1 p467 pt2 p492.</comment><reference>tpis82</reference><elements><element Cs="2" /></elements><condensed>False</condensed><molecular_weight>0.2658109</molecular_weight><hf298.15>109404.333</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-4.674158730e+04</a1><a2>5.952019510e+02</a2><a3>1.895333975e+00</a3><a4>4.082065810e-03</a4><a5>2.531487119e-06</a5><a6>-9.085139030e-09</a6><a7>4.290179930e-12</a7><b1>8.857282570e+03</b1><b2>2.391592727e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.592739590e+07</a1><a2>7.539818910e+04</a2><a3>-7.484086800e+01</a3><a4>3.692866790e-02</a4><a5>-8.082497240e-06</a5><a6>8.171850730e-10</a6><a7>-3.089285900e-14</a7><b1>-4.715045720e+05</b1><b2>5.860933750e+02</b2></T_range></specie><specie inp_file_name="Cs2Br2"><identification><InChIKey>SXAXBGOGWBFUHT-UHFFFAOYSA-L</InChIKey><canonical_smiles>[Br-].[Br-].[Cs+].[Cs+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dicesium;dibromide</IUPAC_name></identification><comment>Gurvich,1982 pt1 p491 pt2 p513.</comment><reference>tpis82</reference><elements><element Cs="2" /><element Br="2" /></elements><condensed>False</condensed><molecular_weight>0.4256189</molecular_weight><hf298.15>-565828.869</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-6.321285180e+03</a1><a2>-1.213153529e+01</a2><a3>1.004967112e+01</a3><a4>-1.102100044e-04</a4><a5>1.365293456e-07</a5><a6>-8.856957070e-11</a6><a7>2.339447704e-14</a7><b1>-7.099771710e+04</b1><b2>-7.539424790e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-7.545846650e+03</a1><a2>-2.087093009e-01</a2><a3>1.000018042e+01</a3><a4>-8.034260730e-08</a4><a5>1.923604258e-11</a5><a6>-2.344698140e-15</a6><a7>1.139365834e-19</a7><b1>-7.105883540e+04</b1><b2>-7.251793040e+00</b2></T_range></specie><specie inp_file_name="Cs2CO3"><identification><InChIKey>FJDQFPXHSGXQBY-UHFFFAOYSA-L</InChIKey><canonical_smiles>C(=O)([O-])[O-].[Cs+].[Cs+]</canonical_smiles><cas_number>534-17-8</cas_number><IUPAC_name>dicesium;carbonate</IUPAC_name></identification><comment>Gurvich,1982 pt1 p503 pt2 p524.</comment><reference>tpis82</reference><elements><element Cs="2" /><element C="1" /><element O="3" /></elements><condensed>False</condensed><molecular_weight>0.3258198</molecular_weight><hf298.15>-806447.939</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-4.673130000e+04</a1><a2>9.436549060e+02</a2><a3>-2.374670436e-01</a3><a4>4.168484610e-02</a4><a5>-5.094372210e-05</a5><a6>3.132078394e-08</a6><a7>-7.780421670e-12</a7><b1>-1.039162411e+05</b1><b2>4.055853980e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-3.037149985e+05</a1><a2>-1.517078400e+03</a2><a3>1.711941656e+01</a3><a4>-4.449700120e-04</a4><a5>9.798325240e-08</a5><a6>-1.121256063e-11</a6><a7>5.189734780e-16</a7><b1>-9.420414770e+04</b1><b2>-5.682006260e+01</b2></T_range></specie><specie inp_file_name="Cs2Cl2"><identification><InChIKey>VCRMDEZFONERTH-UHFFFAOYSA-L</InChIKey><canonical_smiles>[Cl-].[Cl-].[Cs+].[Cs+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dicesium;dichloride</IUPAC_name></identification><comment>Gurvich,1982 pt1 p487 pt2 p510.</comment><reference>tpis82</reference><elements><element Cs="2" /><element Cl="2" /></elements><condensed>False</condensed><molecular_weight>0.3367169</molecular_weight><hf298.15>-644658.398</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.077956357e+04</a1><a2>-5.346106950e+01</a2><a3>1.021710683e+01</a3><a4>-4.789687030e-04</a4><a5>5.908946530e-07</a5><a6>-3.821416520e-10</a6><a7>1.006995985e-13</a7><b1>-8.029515170e+04</b1><b2>-1.207856486e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.625143966e+04</a1><a2>-9.006137350e-01</a2><a3>1.000077173e+01</a3><a4>-3.416194080e-07</a4><a5>8.144968080e-11</a5><a6>-9.897475280e-15</a6><a7>4.798330810e-19</a7><b1>-8.056513220e+04</b1><b2>-1.081977337e+01</b2></T_range></specie><specie inp_file_name="Cs2F2"><identification><InChIKey>OUJISMBVLMMJNR-UHFFFAOYSA-L</InChIKey><canonical_smiles>[F-].[F-].[Cs+].[Cs+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dicesium;difluoride</IUPAC_name></identification><comment>Gurvich,1982 pt1 p484 pt2 p507.</comment><reference>tpis82</reference><elements><element Cs="2" /><element F="2" /></elements><condensed>False</condensed><molecular_weight>0.3038077064</molecular_weight><hf298.15>-891858.506</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-9.942677480e+03</a1><a2>-2.536723355e+02</a2><a3>1.100684073e+01</a3><a4>-2.185640152e-03</a4><a5>2.664791874e-06</a5><a6>-1.708229209e-09</a6><a7>4.471151980e-13</a7><b1>-1.090582601e+05</b1><b2>-2.000699602e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-3.677946420e+04</a1><a2>-4.355753480e+00</a2><a3>1.000366687e+01</a3><a4>-1.603814186e-06</a4><a5>3.791469740e-10</a5><a6>-4.578687430e-14</a6><a7>2.209385787e-18</a7><b1>-1.103456448e+05</b1><b2>-1.415086452e+01</b2></T_range></specie><specie inp_file_name="Cs2I2"><identification><InChIKey>DPRJXHWOWXWOMC-UHFFFAOYSA-L</InChIKey><canonical_smiles>[I-].[I-].[Cs+].[Cs+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dicesium;diiodide</IUPAC_name></identification><comment>Gurvich,1982 pt1 p495 pt2 p516.</comment><reference>tpis82</reference><elements><element Cs="2" /><element I="2" /></elements><condensed>False</condensed><molecular_weight>0.5196198399999999</molecular_weight><hf298.15>-454033.097</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-4.449286970e+03</a1><a2>-5.321793660e+00</a2><a3>1.002183919e+01</a3><a4>-4.853374850e-05</a4><a5>6.019338400e-08</a5><a6>-3.908226390e-11</a6><a7>1.032981014e-14</a7><b1>-5.757823380e+04</b1><b2>-5.271267090e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-4.983376010e+03</a1><a2>-9.461179880e-02</a2><a3>1.000008229e+01</a3><a4>-3.680962040e-08</a4><a5>8.844660910e-12</a5><a6>-1.081178562e-15</a6><a7>5.266141980e-20</a7><b1>-5.760501040e+04</b1><b2>-5.144864890e+00</b2></T_range></specie><specie inp_file_name="Cs2O"><identification><InChIKey>AKUNKIJLSDQFLS-UHFFFAOYSA-M</InChIKey><canonical_smiles>[OH-].[Cs+].[Cs+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dicesium;hydroxide</IUPAC_name></identification><comment>Gurvich,1982 pt1 p473 pt2 p496.</comment><reference>tpis82</reference><elements><element Cs="2" /><element O="1" /></elements><condensed>False</condensed><molecular_weight>0.28181029999999996</molecular_weight><hf298.15>-142855.345</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.910533804e+04</a1><a2>-4.962181530e+02</a2><a3>8.759606300e+00</a3><a4>-3.511622790e-03</a4><a5>4.016479830e-06</a5><a6>-2.450899853e-09</a6><a7>6.172404890e-13</a7><b1>-1.677664956e+04</b1><b2>-1.159258822e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-4.119147410e+04</a1><a2>-1.079255391e+01</a2><a3>7.008500470e+00</a3><a4>-3.542955780e-06</a4><a5>8.081699120e-10</a5><a6>-9.499419930e-14</a6><a7>4.489122540e-18</a7><b1>-1.934377850e+04</b1><b2>-1.203970450e+00</b2></T_range></specie><specie inp_file_name="Cs2O+"><identification><InChIKey>KOPBYBDAPCDYFK-UHFFFAOYSA-N</InChIKey><canonical_smiles>[O-2].[Cs+].[Cs+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dicesium;oxygen(2-)</IUPAC_name></identification><comment>Gurvich,1982 pt1 p474 pt2 p497.</comment><reference>tpis82</reference><elements><element Cs="2" /><element O="1" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.2818097514</molecular_weight><hf298.15>283699.926</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>6.837056090e+02</a1><a2>-2.435575007e+02</a2><a3>7.783037470e+00</a3><a4>-1.414552725e-03</a4><a5>1.470799739e-06</a5><a6>-8.218821330e-10</a6><a7>1.911749489e-13</a7><b1>3.324194870e+04</b1><b2>-4.750423560e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-3.153085844e+04</a1><a2>-5.771559030e+00</a2><a3>7.004482630e+00</a3><a4>-1.848241331e-06</a4><a5>4.180882300e-10</a5><a6>-4.882376270e-14</a6><a7>2.295419936e-18</a7><b1>3.196227310e+04</b1><b2>-5.434350690e-02</b2></T_range></specie><specie inp_file_name="Cs2O2"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1982 pt1 p476 pt2 p499.</comment><reference>tpis82</reference><elements><element Cs="2" /><element O="2" /></elements><condensed>False</condensed><molecular_weight>0.2978097</molecular_weight><hf298.15>-247069.104</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>2.274505180e+04</a1><a2>-5.667912570e+02</a2><a3>1.001728332e+01</a3><a4>2.547081016e-03</a4><a5>-4.909216690e-06</a5><a6>3.848788910e-09</a6><a7>-1.124566008e-12</a7><b1>-2.947334360e+04</b1><b2>-1.841275291e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.190032094e+05</a1><a2>-9.261075260e+01</a2><a3>1.006915777e+01</a3><a4>-2.766227147e-05</a4><a5>6.110752960e-09</a5><a6>-7.003595480e-13</a6><a7>3.243742520e-17</a7><b1>-3.255610740e+04</b1><b2>-1.724868948e+01</b2></T_range></specie><specie inp_file_name="Cs2O2H2"><identification><InChIKey>XMYBMHWDSKQOBZ-UHFFFAOYSA-L</InChIKey><canonical_smiles>[OH-].[OH-].[Cs+].[Cs+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dicesium;dihydroxide</IUPAC_name></identification><comment>Gurvich,1997.</comment><reference>g 9/97</reference><elements><element Cs="2" /><element O="2" /><element H="2" /></elements><condensed>False</condensed><molecular_weight>0.29982558</molecular_weight><hf298.15>-653000.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.085981041e+04</a1><a2>-6.883068420e+02</a2><a3>1.643543354e+01</a3><a4>-4.039220580e-03</a4><a5>2.331117156e-06</a5><a6>8.439651630e-10</a6><a7>-6.859309730e-13</a7><b1>-7.939476230e+04</b1><b2>-4.906196810e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.802857941e+06</a1><a2>-4.656354750e+03</a2><a3>1.693566597e+01</a3><a4>2.117402535e-04</a4><a5>-1.272249096e-07</a5><a6>2.066555839e-11</a6><a7>-1.152390667e-15</a7><b1>-5.190813690e+04</b1><b2>-5.849719160e+01</b2></T_range></specie><specie inp_file_name="Cs2SO4"><identification><InChIKey>FLJPGEWQYJVDPF-UHFFFAOYSA-L</InChIKey><canonical_smiles>[O-]S(=O)(=O)[O-].[Cs+].[Cs+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dicesium;sulfate</IUPAC_name></identification><comment>Gurvich,1982 pt1 p497 pt2 p518.</comment><reference>g10/99</reference><elements><element Cs="2" /><element S="1" /><element O="4" /></elements><condensed>False</condensed><molecular_weight>0.36187349999999996</molecular_weight><hf298.15>-1117651.834</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>6.153637870e+04</a1><a2>-6.381374330e+02</a2><a3>6.894772090e+00</a3><a4>3.960182910e-02</a4><a5>-5.529862010e-05</a5><a6>3.736332520e-08</a6><a7>-9.973241830e-12</a7><b1>-1.339760310e+05</b1><b2>-1.284432588e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-5.223397520e+05</a1><a2>-9.444155250e+02</a2><a3>1.970476453e+01</a3><a4>-2.821225990e-04</a4><a5>6.240792280e-08</a5><a6>-7.163464070e-12</a6><a7>3.322667190e-16</a7><b1>-1.364179983e+05</b1><b2>-6.820406795e+01</b2></T_range></specie><specie inp_file_name="Cu"><identification><InChIKey>RYGMFSIKBFXOCR-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Cu]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>copper</IUPAC_name></identification><comment>Hf:Cox,1989. Sugar,1990. Gordon,1999.</comment><reference>g12/97</reference><elements><element Cu="1" /></elements><condensed>False</condensed><molecular_weight>0.063546</molecular_weight><hf298.15>337400.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>7.713133150e+01</a1><a2>-1.169236206e+00</a2><a3>2.506987803e+00</a3><a4>-2.116434879e-05</a4><a5>3.441714710e-08</a5><a6>-2.862608999e-11</a6><a7>9.559250991e-15</a7><b1>3.983981210e+04</b1><b2>5.730813220e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>2.308090411e+06</a1><a2>-8.503261000e+03</a2><a3>1.467859102e+01</a3><a4>-8.467136520e-03</a4><a5>2.887821016e-06</a5><a6>-4.270659180e-10</a6><a7>2.304265084e-14</a7><b1>9.207535620e+04</b1><b2>-7.854701560e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>-6.490595890e+08</a1><a2>4.240323360e+05</a2><a3>-1.028965806e+02</a3><a4>1.297259934e-02</a4><a5>-7.766697680e-07</a5><a6>2.220446727e-11</a6><a7>-2.441532031e-16</a7><b1>-3.305304580e+06</b1><b2>9.198622920e+02</b2></T_range></specie><specie inp_file_name="Cu+"><identification><InChIKey>RYGMFSIKBFXOCR-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Cu]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>copper</IUPAC_name></identification><comment>Sugar,1990. Gordon,1999.</comment><reference>g 3/98</reference><elements><element Cu="1" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.0635454514</molecular_weight><hf298.15>1089079.728</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>-2.452340093e-03</a1><a2>2.606893531e-05</a2><a3>2.499999890e+00</a3><a4>2.351922485e-10</a4><a5>-2.669362382e-13</a5><a6>1.510315123e-16</a6><a7>-3.278224814e-20</a7><b1>1.302400621e+05</b1><b2>5.075940770e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.181443016e+06</a1><a2>7.217858190e+03</a2><a3>-6.941154750e+00</a3><a4>6.208248920e-03</a4><a5>-2.139340497e-06</a5><a6>3.566431440e-10</a6><a7>-2.081198501e-14</a7><b1>8.516456660e+04</b1><b2>7.116800670e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>2.994686480e+09</a1><a2>-1.831416099e+06</a2><a3>4.294926960e+02</a3><a4>-4.801927720e-02</a4><a5>2.836504248e-06</a5><a6>-8.452189040e-11</a6><a7>1.013018211e-15</a7><b1>1.468809255e+07</b1><b2>-3.729918010e+03</b2></T_range></specie><specie inp_file_name="Cu-"><identification><InChIKey>RYGMFSIKBFXOCR-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Cu]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>copper</IUPAC_name></identification><comment>Hotop,1985. Gordon,1999.</comment><reference>g10/97</reference><elements><element Cu="1" /><element E="1" /></elements><condensed>False</condensed><molecular_weight>0.0635465486</molecular_weight><hf298.15>212718.628</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.500000000e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>2.483864954e+04</b1><b2>5.075966030e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.500000000e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>2.483864954e+04</b1><b2>5.075966030e+00</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.500000000e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>2.483864954e+04</b1><b2>5.075966030e+00</b2></T_range></specie><specie inp_file_name="CuCl"><identification><InChIKey>OXBLHERUFWYNTN-UHFFFAOYSA-M</InChIKey><canonical_smiles>Cl[Cu]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>chlorocopper</IUPAC_name></identification><comment>Chase,1998 p748.</comment><reference>j 3/66</reference><elements><element Cu="1" /><element Cl="1" /></elements><condensed>False</condensed><molecular_weight>0.09899899999999999</molecular_weight><hf298.15>91090.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.469847736e+04</a1><a2>-3.393167250e+02</a2><a3>5.723459590e+00</a3><a4>-2.417296132e-03</a4><a5>2.858019864e-06</a5><a6>-1.757900548e-09</a6><a7>4.455047290e-13</a7><b1>1.131714015e+04</b1><b2>-4.527352594e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.577122410e+04</a1><a2>-7.106346060e+00</a2><a3>4.505623180e+00</a3><a4>5.394548270e-05</a4><a5>5.386417960e-10</a5><a6>-6.348482770e-14</a6><a7>3.006622062e-18</a7><b1>9.566192870e+03</b1><b2>2.680067564e+00</b2></T_range></specie><specie inp_file_name="CuF"><identification><InChIKey>BMRUOURRLCCWHB-UHFFFAOYSA-M</InChIKey><canonical_smiles>F[Cu]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>fluorocopper</IUPAC_name></identification><comment>Chase,1998 p1013.</comment><reference>j12/77</reference><elements><element Cu="1" /><element F="1" /></elements><condensed>False</condensed><molecular_weight>0.0825444032</molecular_weight><hf298.15>-12550.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>3.761385410e+04</a1><a2>-5.468104900e+02</a2><a3>5.832351720e+00</a3><a4>-1.695312068e-03</a4><a5>1.218150880e-06</a5><a6>-3.713285280e-10</a6><a7>2.002276589e-14</a7><b1>5.865140720e+01</b1><b2>-7.156930090e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>5.094154830e+05</a1><a2>-1.415009870e+03</a2><a3>5.632349380e+00</a3><a4>-1.629128410e-04</a4><a5>-1.156611499e-07</a5><a6>5.066034080e-11</a6><a7>-4.153205110e-15</a7><b1>6.305506600e+03</b1><b2>-7.407773610e+00</b2></T_range></specie><specie inp_file_name="CuF2"><identification><InChIKey>GWFAVIIMQDUCRA-UHFFFAOYSA-L</InChIKey><canonical_smiles>F[Cu]F</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>difluorocopper</IUPAC_name></identification><comment>Chase,1998 p1017.</comment><reference>j12/77</reference><elements><element Cu="1" /><element F="2" /></elements><condensed>False</condensed><molecular_weight>0.1015428064</molecular_weight><hf298.15>-266940.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>6.573311280e+04</a1><a2>-8.962430840e+02</a2><a3>7.917560940e+00</a3><a4>1.345667904e-03</a4><a5>-4.162400010e-06</a5><a6>3.716181090e-09</a6><a7>-1.155537597e-12</a7><b1>-2.916887325e+04</b1><b2>-1.587076153e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.650355082e+06</a1><a2>3.775362120e+03</a2><a3>3.889116550e+00</a3><a4>6.821912640e-04</a4><a5>1.875979026e-07</a5><a6>-5.677368110e-11</a6><a7>3.823248730e-15</a7><b1>-5.953371700e+04</b1><b2>1.522659664e+01</b2></T_range></specie><specie inp_file_name="CuO"><identification><InChIKey>QPLDLSVMHZLSFG-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[Cu]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>oxocopper</IUPAC_name></identification><comment>Chase,1998 p1020.</comment><reference>j12/77</reference><elements><element Cu="1" /><element O="1" /></elements><condensed>False</condensed><molecular_weight>0.0795454</molecular_weight><hf298.15>306270.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>4.689762240e+03</a1><a2>-1.184808464e+02</a2><a3>4.566155240e+00</a3><a4>4.309058020e-04</a4><a5>-8.309886400e-07</a5><a6>6.946638020e-10</a6><a7>-2.108693366e-13</a7><b1>3.615190680e+04</b1><b2>1.733847344e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>3.582280170e+05</a1><a2>-9.139366410e+02</a2><a3>5.136898670e+00</a3><a4>6.240577240e-05</a4><a5>-1.558613495e-07</a5><a6>5.236803120e-11</a6><a7>-4.026745620e-15</a7><b1>4.150792860e+04</b1><b2>-2.634070960e+00</b2></T_range></specie><specie inp_file_name="CuOH"><identification><InChIKey>OTNFTBTWTMXVRF-UHFFFAOYSA-M</InChIKey><canonical_smiles>[OH-].[Cu+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>copper;hydroxide</IUPAC_name></identification><comment>Jacox,1994. Nu1:Whitham,2000. Hf:V.N.Belyaev,1978.</comment><reference>g 8/04</reference><elements><element Cu="1" /><element O="1" /><element H="1" /></elements><condensed>False</condensed><molecular_weight>0.08055334</molecular_weight><hf298.15>110818.426</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>6.452100890e+04</a1><a2>-8.261767850e+02</a2><a3>6.550648100e+00</a3><a4>2.980811495e-03</a4><a5>-7.854661800e-06</a5><a6>7.517539680e-09</a6><a7>-2.450884400e-12</a7><b1>0.000000000e+00</b1><b2>1.622207681e+04</b2><b3>-1.086859277e+01</b3></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.476896534e+06</a1><a2>-4.233105680e+03</a2><a3>9.462559190e+00</a3><a4>-8.599304560e-04</a4><a5>1.360741058e-07</a5><a6>1.423011399e-13</a6><a7>-8.387060800e-16</a7><b1>0.000000000e+00</b1><b2>3.890290480e+04</b2><b3>-3.194544140e+01</b3></T_range></specie><specie inp_file_name="Cu2"><identification><InChIKey>ALKZAGKDWUSJED-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Cu].[Cu]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>copper</IUPAC_name></identification><comment>Chase,1998 p1022.</comment><reference>j 9/66</reference><elements><element Cu="2" /></elements><condensed>False</condensed><molecular_weight>0.127092</molecular_weight><hf298.15>485340.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-8.529183480e+02</a1><a2>-9.720044930e+01</a2><a3>4.882233700e+00</a3><a4>-7.371369400e-04</a4><a5>1.000575401e-06</a5><a6>-6.391989440e-10</a6><a7>1.668655797e-13</a7><b1>5.749307020e+04</b1><b2>1.105391325e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-8.699399500e+04</a1><a2>3.209103870e+02</a2><a3>3.973802880e+00</a3><a4>5.080809670e-04</a4><a5>-1.707470385e-07</a5><a6>3.219108190e-11</a6><a7>-1.958830868e-15</a7><b1>5.506090190e+04</b1><b2>6.914502170e+00</b2></T_range></specie><specie inp_file_name="Cu3Cl3"><identification><InChIKey>IDWPLUUJAJYXCX-UHFFFAOYSA-K</InChIKey><canonical_smiles>Cl[Cu].Cl[Cu].Cl[Cu]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>chlorocopper</IUPAC_name></identification><comment>Chase,1998 p874.</comment><reference>j 3/66</reference><elements><element Cu="3" /><element Cl="3" /></elements><condensed>False</condensed><molecular_weight>0.296997</molecular_weight><hf298.15>-258570.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>4.487885320e+03</a1><a2>-8.736644440e+02</a2><a3>1.936189091e+01</a3><a4>-7.137447860e-03</a4><a5>8.560454870e-06</a5><a6>-5.419978740e-09</a6><a7>1.405175350e-12</a7><b1>-3.162689960e+04</b1><b2>-5.976797945e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-9.188559680e+04</a1><a2>-1.571936430e+01</a2><a3>1.601294170e+01</a3><a4>-5.572992370e-06</a4><a5>1.302748507e-09</a5><a6>-1.560175322e-13</a6><a7>7.480827570e-18</a7><b1>-3.608760740e+04</b1><b2>-4.013211395e+01</b2></T_range></specie><specie inp_file_name="D"><identification><InChIKey>GPRLSGONYQIRFK-DYCDLGHISA-N</InChIKey><canonical_smiles>[H+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>deuteron</IUPAC_name></identification><comment>D0(D2): Herzberg,1970. Moore,1972. Gordon,1999.</comment><reference>g 6/97</reference><elements><element D="1" /></elements><condensed>False</condensed><molecular_weight>0.002014102</molecular_weight><hf298.15>221720.228</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.500000000e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>2.592128700e+04</b1><b2>5.917143380e-01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>6.050019210e+01</a1><a2>-1.810766064e-01</a2><a3>2.500210817e+00</a3><a4>-1.220711706e-07</a4><a5>3.715172170e-11</a5><a6>-5.660680210e-15</a6><a7>3.393920393e-19</a7><b1>2.592243752e+04</b1><b2>5.902125370e-01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>2.169259778e+08</a1><a2>-1.309309862e+05</a2><a3>3.392595050e+01</a3><a4>-3.805973810e-03</a4><a5>2.427699393e-07</a5><a6>-7.677967800e-12</a6><a7>9.624191177e-17</a7><b1>1.065922040e+06</b1><b2>-2.726201602e+02</b2></T_range></specie><specie inp_file_name="D+"><identification><InChIKey>GPRLSGONYQIRFK-DYCDLGHISA-N</InChIKey><canonical_smiles>[H+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>deuteron</IUPAC_name></identification><comment>Moore,1972. Gordon,1999.</comment><reference>g 9/96</reference><elements><element D="1" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.0020135534</molecular_weight><hf298.15>1540324.328</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.500000000e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>1.845120037e+05</b1><b2>-1.018414521e-01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.500000000e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>1.845120037e+05</b1><b2>-1.018414521e-01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.500000000e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>1.845120037e+05</b1><b2>-1.018414521e-01</b2></T_range></specie><specie inp_file_name="D-"><identification><InChIKey>GPRLSGONYQIRFK-DYCDLGHISA-N</InChIKey><canonical_smiles>[H+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>deuteron</IUPAC_name></identification><comment>Hotop,1985. Gordon,1999.</comment><reference>g 8/96</reference><elements><element D="1" /><element E="1" /></elements><condensed>False</condensed><molecular_weight>0.0020146506</molecular_weight><hf298.15>142752.728</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.500000000e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>1.642373393e+04</b1><b2>-1.010243437e-01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.500000000e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>1.642373393e+04</b1><b2>-1.010243437e-01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.500000000e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>1.642373393e+04</b1><b2>-1.010243437e-01</b2></T_range></specie><specie inp_file_name="DBr"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1989 pt1 p206 pt2 p107.</comment><reference>tpis89</reference><elements><element D="1" /><element Br="1" /></elements><condensed>False</condensed><molecular_weight>0.081918102</molecular_weight><hf298.15>-37036.496</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.918282458e+04</a1><a2>2.020175399e+02</a2><a3>3.044629038e+00</a3><a4>-1.488157450e-03</a4><a5>6.870897800e-06</a5><a6>-6.591160280e-09</a6><a7>2.093769216e-12</a7><b1>-6.560074400e+03</b1><b2>8.008690040e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>6.654000440e+05</a1><a2>-2.594092228e+03</a2><a3>6.885879400e+00</a3><a4>-1.103284901e-03</a4><a5>2.894201105e-07</a5><a6>-3.152037514e-11</a6><a7>1.011011776e-15</a7><b1>1.037813140e+04</b1><b2>-1.973703653e+01</b2></T_range></specie><specie inp_file_name="DCl"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1989 pt1 p188 pt2 p95.</comment><reference>tpis89</reference><elements><element D="1" /><element Cl="1" /></elements><condensed>False</condensed><molecular_weight>0.037467101999999995</molecular_weight><hf298.15>-93547.003</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.046421033e+04</a1><a2>-2.313813446e+02</a2><a3>5.420693260e+00</a3><a4>-7.508012650e-03</a4><a5>1.398672495e-05</a5><a6>-1.066249569e-08</a6><a7>3.011167635e-12</a7><b1>-1.128403374e+04</b1><b2>-6.711842349e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>4.117284900e+05</a1><a2>-1.764535217e+03</a2><a3>5.668877100e+00</a3><a4>-3.475964170e-04</a4><a5>5.882688030e-08</a5><a6>3.760253130e-13</a6><a7>-5.164600560e-16</a7><b1>-1.541258092e+03</b1><b2>-1.275659404e+01</b2></T_range></specie><specie inp_file_name="DF"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1989 pt1 p172 pt2 p80.</comment><reference>tpis89</reference><elements><element D="1" /><element F="1" /></elements><condensed>False</condensed><molecular_weight>0.0210125052</molecular_weight><hf298.15>-276227.596</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>5.721370750e+04</a1><a2>-7.311733800e+02</a2><a3>7.220870870e+00</a3><a4>-9.423969350e-03</a4><a5>1.208025139e-05</a5><a6>-6.941812690e-09</a6><a7>1.538525476e-12</a7><b1>-3.069230024e+04</b1><b2>-1.932760992e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>8.001172800e+05</a1><a2>-2.438386832e+03</a2><a3>5.620664450e+00</a3><a4>-2.020416838e-04</a4><a5>1.714418979e-08</a5><a6>2.697462563e-12</a6><a7>-2.888297410e-16</a7><b1>-1.857447029e+04</b1><b2>-1.473004444e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>1.924190104e+08</a1><a2>-9.333761700e+04</a2><a3>1.929651319e+01</a3><a4>-6.429319300e-04</a4><a5>-1.978551386e-08</a5><a6>1.730048706e-12</a6><a7>-3.030499069e-17</a7><b1>7.325924600e+05</b1><b2>-1.428958225e+02</b2></T_range></specie><specie inp_file_name="DOCl"><identification><InChIKey>QWPPOHNGKGFGJK-VMNATFBRSA-N</InChIKey><canonical_smiles>OCl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>deuterio hypochlorite</IUPAC_name></identification><comment>D0 estimated from HOCL. Jacox,1998 p155.</comment><reference>g 1/01</reference><elements><element D="1" /><element O="1" /><element Cl="1" /></elements><condensed>False</condensed><molecular_weight>0.053466502</molecular_weight><hf298.15>-79538.686</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>6.852834290e+04</a1><a2>-7.673444550e+02</a2><a3>5.933970140e+00</a3><a4>2.868820667e-03</a4><a5>-5.207166370e-06</a5><a6>4.927572740e-09</a6><a7>-1.709526276e-12</a7><b1>-6.824035050e+03</b1><b2>-7.757833983e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>6.043066330e+05</a1><a2>-2.646500381e+03</a2><a3>8.612474210e+00</a3><a4>-5.532268240e-04</a4><a5>1.086845232e-07</a5><a6>-1.137381290e-11</a6><a7>4.904295520e-16</a7><b1>4.845795180e+03</b1><b2>-2.588861801e+01</b2></T_range></specie><specie inp_file_name="DO2"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1989 pt1 p138 pt2 p49.</comment><reference>tpis89</reference><elements><element D="1" /><element O="2" /></elements><condensed>False</condensed><molecular_weight>0.034012902</molecular_weight><hf298.15>6487.344</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-2.111479735e+04</a1><a2>6.023371750e+02</a2><a3>-1.294877674e+00</a3><a4>1.812947970e-02</a4><a5>-2.161807666e-05</a5><a6>1.391729127e-08</a6><a7>-3.697740280e-12</a7><b1>-2.976943856e+03</b1><b2>3.272834480e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.267224927e+06</a1><a2>2.799947016e+03</a2><a3>2.325174609e+00</a3><a4>2.726325070e-03</a4><a5>-6.314507320e-07</a5><a6>6.729289200e-11</a6><a7>-2.765192818e-15</a7><b1>-1.959411733e+04</b1><b2>1.789922833e+01</b2></T_range></specie><specie inp_file_name="DO2-"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1989 pt1 p139 pt2 p50.</comment><reference>tpis89</reference><elements><element D="1" /><element O="2" /><element E="1" /></elements><condensed>False</condensed><molecular_weight>0.0340134506</molecular_weight><hf298.15>-104795.510</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>1.048705051e+05</a1><a2>-8.906236770e+02</a2><a3>5.666553560e+00</a3><a4>1.904603784e-03</a4><a5>-1.215263210e-06</a5><a6>6.577513330e-10</a6><a7>-2.147376147e-13</a7><b1>-8.942377250e+03</b1><b2>-7.797219200e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>5.527661920e+05</a1><a2>-2.796895783e+03</a2><a3>8.772206670e+00</a3><a4>-6.291116630e-04</a4><a5>1.272331622e-07</a5><a6>-1.364440687e-11</a6><a7>6.005199440e-16</a7><b1>2.512066767e+03</b1><b2>-2.890020381e+01</b2></T_range></specie><specie inp_file_name="D2"><identification><InChIKey>UFHFLCQGNIYNRP-VVKOMZTBSA-N</InChIKey><canonical_smiles>[HH]</canonical_smiles><cas_number>7782-39-0</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Ref-Species. Gurvich,1989 pt1 p134 pt2 p45.</comment><reference>tpis89</reference><elements><element D="2" /></elements><condensed>False</condensed><molecular_weight>0.004028204</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>2.125790482e+04</a1><a2>-2.996945907e+02</a2><a3>5.130314980e+00</a3><a4>-4.172970890e-03</a4><a5>5.014345720e-06</a5><a6>-2.126389969e-09</a6><a7>2.386536969e-13</a7><b1>3.944985900e+02</b1><b2>-1.164191209e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>8.215168560e+05</a1><a2>-2.365623159e+03</a2><a3>5.342974510e+00</a3><a4>6.928145990e-05</a4><a5>-8.523671020e-08</a5><a6>2.456447415e-11</a6><a7>-1.960597698e-15</a7><b1>1.434214587e+04</b1><b2>-1.712600356e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>4.899848740e+08</a1><a2>-3.112892916e+05</a2><a3>7.945961340e+01</a3><a4>-8.425828740e-03</a4><a5>4.789458020e-07</a5><a6>-1.390917969e-11</a6><a7>1.637606941e-16</a7><b1>2.460108052e+06</b1><b2>-6.637009520e+02</b2></T_range></specie><specie inp_file_name="D2+"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Chase,1998 p1041.</comment><reference>j 9/77</reference><elements><element D="2" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.004027655400000001</molecular_weight><hf298.15>1498568.325</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>-9.640959090e+04</a1><a2>1.243052385e+03</a2><a3>-2.557714366e+00</a3><a4>1.343064234e-02</a4><a5>-1.285600289e-05</a5><a6>6.463421670e-09</a6><a7>-1.337616868e-12</a7><b1>1.730966171e+05</b1><b2>3.356314920e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>9.255951350e+05</a1><a2>-4.505219940e+03</a2><a3>1.103203365e+01</a3><a4>-4.706089030e-03</a4><a5>1.838068460e-06</a5><a6>-3.135924623e-10</a6><a7>1.857684975e-14</a7><b1>2.058298890e+05</b1><b2>-5.283912240e+01</b2></T_range></specie><specie inp_file_name="D2-"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Chase,1998 p1042.</comment><reference>j 9/77</reference><elements><element D="2" /><element E="1" /></elements><condensed>False</condensed><molecular_weight>0.004028752599999999</molecular_weight><hf298.15>235160.621</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>-4.365332060e+03</a1><a2>3.112987057e+02</a2><a3>5.481950030e-01</a3><a4>9.956988110e-03</a4><a5>-1.167000612e-05</a5><a6>6.975656410e-09</a6><a7>-1.682718179e-12</a7><b1>2.597897625e+04</b1><b2>1.442223161e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-5.798805190e+04</a1><a2>-3.122959355e+02</a2><a3>4.730388280e+00</a3><a4>5.695900800e-05</a4><a5>2.018975430e-08</a5><a6>-2.311492448e-12</a6><a7>1.070266527e-16</a7><b1>2.851200896e+04</b1><b2>-9.157527920e+00</b2></T_range></specie><specie inp_file_name="D2O"><identification><InChIKey>XLYOFNOQVPJJNP-ZSJDYOACSA-N</InChIKey><canonical_smiles>O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1989 pt1 p142 pt2 p51.</comment><reference>g 6/99</reference><elements><element D="2" /><element O="1" /></elements><condensed>False</condensed><molecular_weight>0.020027604</molecular_weight><hf298.15>-249210.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>6.958278470e+03</a1><a2>-1.280889437e+01</a2><a3>3.595878870e+00</a3><a4>1.502093683e-03</a4><a5>3.594675050e-07</a5><a6>5.340417200e-10</a6><a7>-5.181941270e-13</a7><b1>-3.101944566e+04</b1><b2>2.895556576e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.544193253e+06</a1><a2>-5.474238900e+03</a2><a3>1.017542424e+01</a3><a4>-9.619415540e-04</a4><a5>2.036545675e-07</a5><a6>-2.050566442e-11</a6><a7>8.510770690e-16</a7><b1>2.983248980e+03</b1><b2>-4.465011570e+01</b2></T_range></specie><specie inp_file_name="D2O2"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1989 pt1 p142 pt2 p52.</comment><reference>g 6/99</reference><elements><element D="2" /><element O="2" /></elements><condensed>False</condensed><molecular_weight>0.036027004</molecular_weight><hf298.15>-144300.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>2.957711324e+04</a1><a2>-6.893037570e+01</a2><a3>2.043905473e+00</a3><a4>1.570281822e-02</a4><a5>-1.935478714e-05</a5><a6>1.384941336e-08</a6><a7>-4.104184900e-12</a7><b1>-1.802502679e+04</b1><b2>1.347156482e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.147867936e+06</a1><a2>-5.225760930e+03</a2><a3>1.311088701e+01</a3><a4>-1.179811896e-03</a4><a5>2.729336904e-07</a5><a6>-2.961433535e-11</a6><a7>1.310306129e-15</a7><b1>1.219580532e+04</b1><b2>-5.690538200e+01</b2></T_range></specie><specie inp_file_name="D2S"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Miller,1967. H2S data.</comment><reference>g 6/01</reference><elements><element D="2" /><element S="1" /></elements><condensed>False</condensed><molecular_weight>0.036093204</molecular_weight><hf298.15>-24006.550</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>3.988386480e+03</a1><a2>-6.620792560e+01</a2><a3>4.393354450e+00</a3><a4>-2.325113084e-03</a4><a5>1.189503465e-05</a5><a6>-1.146524521e-08</a6><a7>3.626190450e-12</a7><b1>-3.787385550e+03</b1><b2>9.238754375e-01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>4.235814630e+05</a1><a2>-2.823776231e+03</a2><a3>8.962821840e+00</a3><a4>-6.469231230e-04</a4><a5>1.634615644e-07</a5><a6>-1.797991376e-11</a6><a7>8.160939570e-16</a7><b1>1.204603509e+04</b1><b2>-3.191047376e+01</b2></T_range></specie><specie inp_file_name="F"><identification><InChIKey>KRHYYFGTRYWZRS-UHFFFAOYSA-M</InChIKey><canonical_smiles>[F-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>fluoride</IUPAC_name></identification><comment>Hf:Cox,1989. Moore,1971. Moore,1970a. Gordon,1999.</comment><reference>g 5/97</reference><elements><element F="1" /></elements><condensed>False</condensed><molecular_weight>0.0189984032</molecular_weight><hf298.15>79380.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.137409088e+03</a1><a2>-1.453392797e+02</a2><a3>4.077403610e+00</a3><a4>-4.303360140e-03</a4><a5>5.728897740e-06</a5><a6>-3.819312900e-09</a6><a7>1.018322509e-12</a7><b1>9.311110120e+03</b1><b2>-3.558982650e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.473506226e+04</a1><a2>8.149927360e+01</a2><a3>2.444371819e+00</a3><a4>2.120210026e-05</a4><a5>-4.546918620e-09</a5><a6>5.109528730e-13</a6><a7>-2.333894647e-17</a7><b1>8.388374650e+03</b1><b2>5.478710640e+00</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>-2.926724756e+07</a1><a2>1.775674924e+04</a2><a3>-1.814463258e+00</a3><a4>5.351200280e-04</a4><a5>-3.513620800e-08</a5><a6>1.101519690e-12</a6><a7>-1.061293837e-17</a7><b1>-1.319642721e+05</b1><b2>4.248814560e+01</b2></T_range></specie><specie inp_file_name="F+"><identification><InChIKey>KRHYYFGTRYWZRS-UHFFFAOYSA-M</InChIKey><canonical_smiles>[F-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>fluoride</IUPAC_name></identification><comment>Moore,1971. Moore,1970a. Gordon,1999.</comment><reference>g 3/97</reference><elements><element F="1" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.0189978546</molecular_weight><hf298.15>1766816.332</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>-3.871680190e+04</a1><a2>3.218815660e+02</a2><a3>2.200920452e+00</a3><a4>-2.455492688e-04</a4><a5>7.858355060e-07</a5><a6>-6.435987920e-10</a6><a7>1.839793564e-13</a7><b1>2.098830937e+05</b1><b2>7.816999240e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.649635664e+04</a1><a2>1.337351478e+02</a2><a3>2.332522942e+00</a3><a4>1.215277877e-04</a4><a5>-4.801037700e-08</a5><a6>9.027225150e-12</a6><a7>-5.470664940e-16</a7><b1>2.110745327e+05</b1><b2>6.625817090e+00</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>7.599619330e+06</a1><a2>-1.391106563e+03</a2><a3>1.714871534e+00</a3><a4>2.428311844e-04</a4><a5>-1.894860146e-08</a5><a6>6.420828070e-13</a6><a7>-8.257979730e-18</a7><b1>2.269126001e+05</b1><b2>1.102848944e+01</b2></T_range></specie><specie inp_file_name="F-"><identification><InChIKey>KRHYYFGTRYWZRS-UHFFFAOYSA-M</InChIKey><canonical_smiles>[F-]</canonical_smiles><cas_number>16984-48-8</cas_number><IUPAC_name>fluoride</IUPAC_name></identification><comment>Hotop,1985. Gordon,1999.</comment><reference>g 1/98</reference><elements><element F="1" /><element E="1" /></elements><condensed>False</condensed><molecular_weight>0.0189989518</molecular_weight><hf298.15>-255092.072</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.500000000e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-3.142572443e+04</b1><b2>3.264882710e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.500000000e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-3.142572443e+04</b1><b2>3.264882710e+00</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.500000000e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-3.142572443e+04</b1><b2>3.264882710e+00</b2></T_range></specie><specie inp_file_name="FCN"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1991 pt1 p229 pt2 p217.</comment><reference>g 5/99</reference><elements><element F="1" /><element C="1" /><element N="1" /></elements><condensed>False</condensed><molecular_weight>0.0450158032</molecular_weight><hf298.15>34327.854</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>3.984454120e+04</a1><a2>-6.988655360e+02</a2><a3>7.058839660e+00</a3><a4>-1.404863382e-03</a4><a5>3.964652510e-06</a5><a6>-3.045609294e-09</a6><a7>7.923045900e-13</a7><b1>6.172627570e+03</b1><b2>-1.505643174e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>3.981873550e+05</a1><a2>-2.302971079e+03</a2><a3>9.027081390e+00</a3><a4>-5.228710260e-04</a4><a5>1.191059272e-07</a5><a6>-1.280287231e-11</a6><a7>5.733807190e-16</a7><b1>1.588449451e+04</b1><b2>-2.984971982e+01</b2></T_range></specie><specie inp_file_name="FCO"><identification><InChIKey>CJXGPJZUDUOZDX-UHFFFAOYSA-N</InChIKey><canonical_smiles>[C](=O)F</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>fluoromethanone</IUPAC_name></identification><comment>Hf:Gurvich,1991 pt1 p87. Jacox,1998 p193.</comment><reference>g12/99</reference><elements><element F="1" /><element C="1" /><element O="1" /></elements><condensed>False</condensed><molecular_weight>0.0470085032</molecular_weight><hf298.15>-179418.150</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.132662744e+04</a1><a2>-5.397918500e+01</a2><a3>2.966927601e+00</a3><a4>7.559959350e-03</a4><a5>-6.211773580e-06</a5><a6>2.403781550e-09</a6><a7>-3.369507750e-13</a7><b1>-2.240369579e+04</b1><b2>1.092652142e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-6.085851580e+04</a1><a2>-1.022397533e+03</a2><a3>7.527322560e+00</a3><a4>-1.057942328e-04</a4><a5>-1.365311093e-09</a5><a6>2.484612871e-12</a6><a7>-9.997916800e-17</a7><b1>-1.805098416e+04</b1><b2>-1.630331278e+01</b2></T_range></specie><specie inp_file_name="FO"><identification><InChIKey>VMUWIFNDNXXSQA-UHFFFAOYSA-N</InChIKey><canonical_smiles>[O-]F</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>hypofluorite</IUPAC_name></identification><comment>Chase,1996b p582.</comment><reference>j 9/95</reference><elements><element F="1" /><element O="1" /></elements><condensed>False</condensed><molecular_weight>0.0349978032</molecular_weight><hf298.15>109012.100</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-3.912182440e+04</a1><a2>7.967036940e+02</a2><a3>-1.634777767e+00</a3><a4>1.601810071e-02</a4><a5>-2.095210771e-05</a5><a6>1.382740666e-08</a6><a7>-3.664524950e-12</a7><b1>8.375525230e+03</b1><b2>3.383325720e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.597940503e+06</a1><a2>4.377376380e+03</a2><a3>-4.897507640e-01</a3><a4>2.682336321e-03</a4><a5>-6.900804850e-07</a5><a6>7.246479680e-11</a6><a7>-2.726912632e-15</a7><b1>-1.644248211e+04</b1><b2>3.559923610e+01</b2></T_range></specie><specie inp_file_name="FO2,FOO"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Chase,1996b p582.</comment><reference>j 9/95</reference><elements><element F="1" /><element O="2" /></elements><condensed>False</condensed><molecular_weight>0.0509972032</molecular_weight><hf298.15>25400.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>5.821564000e+03</a1><a2>-2.347363967e+02</a2><a3>5.437338760e+00</a3><a4>2.165855252e-03</a4><a5>3.671472190e-07</a5><a6>-2.071530827e-09</a6><a7>9.431066850e-13</a7><b1>2.694856027e+03</b1><b2>-1.168202057e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.213166895e+06</a1><a2>2.493397189e+03</a2><a3>4.465065740e+00</a3><a4>9.416104040e-04</a4><a5>-6.426472260e-08</a5><a6>-1.085643277e-11</a6><a7>1.216995394e-15</a7><b1>-1.596800286e+04</b1><b2>8.655193180e+00</b2></T_range></specie><specie inp_file_name="FO2,OFO"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Chase,1996b p583.</comment><reference>j 9/95</reference><elements><element F="1" /><element O="2" /></elements><condensed>False</condensed><molecular_weight>0.0509972032</molecular_weight><hf298.15>378600.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-7.734106400e+04</a1><a2>1.663800209e+03</a2><a3>-9.612815160e+00</a3><a4>4.989156870e-02</a4><a5>-6.946217130e-05</a5><a6>4.707787800e-08</a6><a7>-1.258890729e-11</a7><b1>3.697092730e+04</b1><b2>7.795943040e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-6.211867340e+05</a1><a2>9.369474590e+02</a2><a3>6.401558750e+00</a3><a4>2.136110846e-04</a4><a5>-4.337977650e-08</a5><a6>4.667312240e-12</a6><a7>-2.059767432e-16</a7><b1>3.638357270e+04</b1><b2>-6.150264330e+00</b2></T_range></specie><specie inp_file_name="F2"><identification><InChIKey>PXGOKWXKJXAPGV-UHFFFAOYSA-N</InChIKey><canonical_smiles>FF</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>molecular fluorine</IUPAC_name></identification><comment>Ref-Elm. Gurvich,1989. pt1 p157 pt2 p73.</comment><reference>tpis89</reference><elements><element F="2" /></elements><condensed>False</condensed><molecular_weight>0.0379968064</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.018176308e+04</a1><a2>2.274241183e+01</a2><a3>1.971353040e+00</a3><a4>8.151604010e-03</a4><a5>-1.148960090e-05</a5><a6>7.958652530e-09</a6><a7>-2.167079526e-12</a7><b1>-9.586943000e+02</b1><b2>1.130600296e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.941167790e+06</a1><a2>9.456597700e+03</a2><a3>-7.738616150e+00</a3><a4>7.644712990e-03</a4><a5>-2.241007605e-06</a5><a6>2.915845236e-10</a6><a7>-1.425033974e-14</a7><b1>-6.071005610e+04</b1><b2>8.423835080e+01</b2></T_range></specie><specie inp_file_name="F2O"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1989 pt1 p161 pt2 p76.</comment><reference>g 4/99</reference><elements><element F="2" /><element O="1" /></elements><condensed>False</condensed><molecular_weight>0.053996206399999996</molecular_weight><hf298.15>24500.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>3.082919995e+04</a1><a2>-2.299506259e+02</a2><a3>2.603805825e+00</a3><a4>1.586111264e-02</a4><a5>-2.345633734e-05</a5><a6>1.679619314e-08</a6><a7>-4.703560330e-12</a7><b1>3.055185332e+03</b1><b2>1.050933022e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.885374518e+05</a1><a2>-2.100729689e+02</a2><a3>7.151239160e+00</a3><a4>1.327687906e-04</a4><a5>1.804705706e-08</a5><a6>-1.416973671e-12</a6><a7>6.489389390e-17</a7><b1>1.449129965e+03</b1><b2>-1.257858336e+01</b2></T_range></specie><specie inp_file_name="F2O2"><identification><InChIKey>REAOZOPEJGPVCB-UHFFFAOYSA-N</InChIKey><canonical_smiles>O(OF)F</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>fluorooxy hypofluorite</IUPAC_name></identification><comment>FOOF. Chase,1996b p585.</comment><reference>j 9/95</reference><elements><element F="2" /><element O="2" /></elements><condensed>False</condensed><molecular_weight>0.0699956064</molecular_weight><hf298.15>19200.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>5.612270460e+04</a1><a2>-9.985952230e+02</a2><a3>8.980649390e+00</a3><a4>6.421900870e-03</a4><a5>-9.888516020e-06</a5><a6>6.858061010e-09</a6><a7>-1.842137493e-12</a7><b1>5.298712590e+03</b1><b2>-2.239292195e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.190563532e+05</a1><a2>-3.910920810e+02</a2><a3>1.029107144e+01</a3><a4>-1.163345202e-04</a4><a5>2.570922521e-08</a5><a6>-2.949199983e-12</a6><a7>1.367386916e-16</a7><b1>8.278020940e+02</b1><b2>-2.756752555e+01</b2></T_range></specie><specie inp_file_name="FS2F"><identification><InChIKey>DKDSFVCSLPKNPV-UHFFFAOYSA-N</InChIKey><canonical_smiles>FSSF</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>fluorosulfanyl thiohypofluorite</IUPAC_name></identification><comment>Difluorodisulfane. Chase,1998 p1146.</comment><reference>j 6/76</reference><elements><element F="2" /><element S="2" /></elements><condensed>False</condensed><molecular_weight>0.1021268064</molecular_weight><hf298.15>-336435.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.144462280e+05</a1><a2>-1.853247564e+03</a2><a3>1.394098518e+01</a3><a4>-4.043689370e-03</a4><a5>1.370970316e-06</a5><a6>6.711903100e-10</a6><a7>-4.624954960e-13</a7><b1>-3.351068330e+04</b1><b2>-4.849215357e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.077097921e+05</a1><a2>-1.094539831e+02</a2><a3>1.008136946e+01</a3><a4>-3.239537910e-05</a4><a5>7.125225270e-09</a5><a6>-8.134787410e-13</a6><a7>3.755022410e-17</a7><b1>-4.349446060e+04</b1><b2>-2.346916058e+01</b2></T_range></specie><specie inp_file_name="Fe"><identification><InChIKey>XEEYBQQBJWHFJM-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Fe]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>iron</IUPAC_name></identification><comment>Hf:Hultgren,1973. Sugar,1985. Gordon,1999.</comment><reference>g 5/97</reference><elements><element Fe="1" /></elements><condensed>False</condensed><molecular_weight>0.055845</molecular_weight><hf298.15>415471.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>6.790822660e+04</a1><a2>-1.197218407e+03</a2><a3>9.843393310e+00</a3><a4>-1.652324828e-02</a4><a5>1.917939959e-05</a5><a6>-1.149825371e-08</a6><a7>2.832773807e-12</a7><b1>5.466995940e+04</b1><b2>-3.383946260e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.954923682e+06</a1><a2>6.737161100e+03</a2><a3>-5.486410970e+00</a3><a4>4.378803450e-03</a4><a5>-1.116286672e-06</a5><a6>1.544348856e-10</a6><a7>-8.023578182e-15</a7><b1>7.137370060e+03</b1><b2>6.504979860e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>1.216352511e+09</a1><a2>-5.828563930e+05</a2><a3>9.789634510e+01</a3><a4>-5.370704430e-03</a4><a5>3.192037920e-08</a5><a6>6.267671430e-12</a6><a7>-1.480574914e-16</a7><b1>4.847648290e+06</b1><b2>-8.697289770e+02</b2></T_range></specie><specie inp_file_name="Fe+"><identification><InChIKey>XEEYBQQBJWHFJM-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Fe]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>iron</IUPAC_name></identification><comment>Sugar,1985. Gordon,1999.</comment><reference>g 3/98</reference><elements><element Fe="1" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.055844451399999995</molecular_weight><hf298.15>1184217.849</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>-5.691231620e+04</a1><a2>1.847134390e+02</a2><a3>4.196972120e+00</a3><a4>-5.978275970e-03</a4><a5>1.054267912e-05</a5><a6>-8.059804320e-09</a6><a7>2.256925874e-12</a7><b1>1.401206571e+05</b1><b2>-3.602542580e-01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-8.176450090e+05</a1><a2>1.925359408e+03</a2><a3>1.717387154e+00</a3><a4>3.385338980e-04</a4><a5>-9.813533120e-08</a5><a6>2.228179208e-11</a6><a7>-1.483964439e-15</a7><b1>1.286352466e+05</b1><b2>1.500256262e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>1.065217491e+08</a1><a2>-2.883923997e+04</a2><a3>-2.821752459e+00</a3><a4>2.712846797e-03</a4><a5>-3.107069182e-07</a5><a6>1.543726493e-11</a6><a7>-2.725133516e-16</a7><b1>4.142981690e+05</b1><b2>4.053497330e+01</b2></T_range></specie><specie inp_file_name="Fe-"><identification><InChIKey>XEEYBQQBJWHFJM-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Fe]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>iron</IUPAC_name></identification><comment>Hotop,1985. Gordon,1999.</comment><reference>g 9/97</reference><elements><element Fe="1" /><element E="1" /></elements><condensed>False</condensed><molecular_weight>0.0558455486</molecular_weight><hf298.15>393338.036</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>1.341276767e+05</a1><a2>-1.775438064e+03</a2><a3>1.084366935e+01</a3><a4>-1.499440282e-02</a4><a5>1.412129744e-05</a5><a6>-6.942189050e-09</a6><a7>1.410953082e-12</a7><b1>5.519472530e+04</b1><b2>-4.140886490e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.237808631e+05</a1><a2>8.249279070e+02</a2><a3>1.912936452e+00</a3><a4>2.280194065e-04</a4><a5>-4.942014160e-08</a5><a6>5.591493490e-12</a6><a7>-2.566386941e-16</a7><b1>4.156251610e+04</b1><b2>1.265367627e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>-1.008467687e+06</a1><a2>7.642402360e+02</a2><a3>2.332880311e+00</a3><a4>1.892649914e-05</a4><a5>-1.170322571e-09</a5><a6>3.749758920e-14</a6><a7>-4.871021520e-19</a7><b1>4.111417150e+04</b1><b2>9.680921840e+00</b2></T_range></specie><specie inp_file_name="Fe(CO)5"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Chase,1998 p698.</comment><reference>j 3/78</reference><elements><element Fe="1" /><element C="5" /><element O="5" /></elements><condensed>False</condensed><molecular_weight>0.1958955</molecular_weight><hf298.15>-727850.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>3.797805710e+05</a1><a2>-7.285928160e+03</a2><a3>5.400236180e+01</a3><a4>-6.935400750e-02</a4><a5>1.026705717e-04</a5><a6>-7.207373130e-08</a6><a7>1.958981996e-11</a7><b1>-5.854580480e+04</b1><b2>-2.604377836e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.116600852e+06</a1><a2>-8.067074730e+03</a2><a3>3.652942410e+01</a3><a4>-2.047190300e-03</a4><a5>4.441967750e-07</a5><a6>-4.932507130e-11</a6><a7>2.235704865e-15</a7><b1>-4.860661250e+04</b1><b2>-1.754566113e+02</b2></T_range></specie><specie inp_file_name="FeCl"><identification><InChIKey>CPUPMBAJMGGRKC-UHFFFAOYSA-M</InChIKey><canonical_smiles>[Cl-].[Fe+3]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>iron(3+);chloride</IUPAC_name></identification><comment>Chase,1998 p761.</comment><reference>j 6/65</reference><elements><element Fe="1" /><element Cl="1" /></elements><condensed>False</condensed><molecular_weight>0.091298</molecular_weight><hf298.15>251040.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.117340353e+04</a1><a2>-5.402144290e+01</a2><a3>3.486057920e+00</a3><a4>6.879837140e-03</a4><a5>-1.273679557e-05</a5><a6>1.025321859e-08</a6><a7>-3.051544011e-12</a7><b1>2.928681990e+04</b1><b2>9.428962979e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>5.288700220e+05</a1><a2>-1.282897413e+03</a2><a3>5.798441690e+00</a3><a4>-2.896589776e-04</a4><a5>3.343903810e-08</a5><a6>-1.469606582e-13</a6><a7>-1.213444602e-16</a7><b1>3.726196730e+04</b1><b2>-4.075134191e+00</b2></T_range></specie><specie inp_file_name="FeCl2"><identification><InChIKey>NMCUIPGRVMDVDB-UHFFFAOYSA-L</InChIKey><canonical_smiles>Cl[Fe]Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dichloroiron</IUPAC_name></identification><comment>Chase,1998 p822.</comment><reference>j12/70</reference><elements><element Fe="1" /><element Cl="2" /></elements><condensed>False</condensed><molecular_weight>0.126751</molecular_weight><hf298.15>-141000.800</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>2.301121607e+04</a1><a2>-5.858044060e+02</a2><a3>9.322903480e+00</a3><a4>-3.006298824e-03</a4><a5>2.590788666e-06</a5><a6>-1.080178662e-09</a6><a7>2.341239608e-13</a7><b1>-1.621041276e+04</b1><b2>-1.816752393e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.644123697e+05</a1><a2>6.928002690e+02</a2><a3>4.638270140e+00</a3><a4>2.754339782e-03</a4><a5>-8.624218250e-07</a5><a6>1.170827576e-10</a6><a7>-5.938061950e-15</a7><b1>-2.219721855e+04</b1><b2>1.116897701e+01</b2></T_range></specie><specie inp_file_name="FeCl3"><identification><InChIKey>RBTARNINKXHZNM-UHFFFAOYSA-K</InChIKey><canonical_smiles>Cl[Fe](Cl)Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>trichloroiron</IUPAC_name></identification><comment>Chase,1998 p879.</comment><reference>j 6/65</reference><elements><element Fe="1" /><element Cl="3" /></elements><condensed>False</condensed><molecular_weight>0.16220400000000001</molecular_weight><hf298.15>-1059104.288</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>4.284772100e+03</a1><a2>-5.741705370e+02</a2><a3>1.220667256e+01</a3><a4>-4.680434120e-03</a4><a5>5.609500470e-06</a5><a6>-3.549599500e-09</a6><a7>9.198543490e-13</a7><b1>-1.275688456e+05</b1><b2>-2.887584081e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-5.915740590e+04</a1><a2>-1.033382228e+01</a2><a3>1.000849967e+01</a3><a4>-3.657651870e-06</a4><a5>8.545873640e-10</a5><a6>-1.023070527e-13</a6><a7>4.904063640e-18</a7><b1>-1.305012050e+05</b1><b2>-1.598494171e+01</b2></T_range></specie><specie inp_file_name="FeO"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Chase,1998 p1239.</comment><reference>j 9/66</reference><elements><element Fe="1" /><element O="1" /></elements><condensed>False</condensed><molecular_weight>0.07184439999999999</molecular_weight><hf298.15>251040.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.569282213e+04</a1><a2>-6.460188880e+01</a2><a3>2.458925470e+00</a3><a4>7.016047360e-03</a4><a5>-1.021405947e-05</a5><a6>7.179297870e-09</a6><a7>-1.978966365e-12</a7><b1>2.964572665e+04</b1><b2>1.326115545e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.195971480e+05</a1><a2>-3.624864780e+02</a2><a3>5.518880750e+00</a3><a4>-9.978856890e-04</a4><a5>4.376913830e-07</a5><a6>-6.790629460e-11</a6><a7>3.639292680e-15</a7><b1>3.037985806e+04</b1><b2>-3.633655420e+00</b2></T_range></specie><specie inp_file_name="Fe(OH)2"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Chase,1998 p1230.</comment><reference>j12/66</reference><elements><element Fe="1" /><element O="2" /><element H="2" /></elements><condensed>False</condensed><molecular_weight>0.08985968</molecular_weight><hf298.15>-330536.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>4.443027200e+05</a1><a2>-6.795140890e+03</a2><a3>3.894726210e+01</a3><a4>-5.973005680e-02</a4><a5>7.046165430e-05</a5><a6>-4.087859510e-08</a6><a7>9.368766340e-12</a7><b1>-9.051420860e+03</b1><b2>-1.931304058e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.612519190e+06</a1><a2>-6.533241990e+03</a2><a3>1.842922816e+01</a3><a4>-2.073249635e-03</a4><a5>4.265874360e-07</a5><a6>-4.564063130e-11</a6><a7>1.990105746e-15</a7><b1>-2.992568633e+03</b1><b2>-8.445940590e+01</b2></T_range></specie><specie inp_file_name="Fe2Cl4"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Chase,1998 p891.</comment><reference>j12/70</reference><elements><element Fe="2" /><element Cl="4" /></elements><condensed>False</condensed><molecular_weight>0.253502</molecular_weight><hf298.15>-431370.400</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.501308814e+03</a1><a2>-6.617096510e+02</a2><a3>1.826924882e+01</a3><a4>-4.181494660e-03</a4><a5>4.196535050e-06</a5><a6>-2.188670747e-09</a6><a7>5.395194700e-13</a7><b1>-5.340057580e+04</b1><b2>-4.935640680e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.402450973e+05</a1><a2>6.936064410e+02</a2><a3>1.313800410e+01</a3><a4>2.754333070e-03</a4><a5>-8.623996010e-07</a5><a6>1.170782491e-10</a6><a7>-5.937778080e-15</a7><b1>-5.974172730e+04</b1><b2>-1.752491511e+01</b2></T_range></specie><specie inp_file_name="Fe2Cl6"><identification><InChIKey>DGACVIFWWARGLD-UHFFFAOYSA-H</InChIKey><canonical_smiles>Cl[Fe]Cl.Cl[Fe](Cl)(Cl)Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dichloroiron;tetrachloroiron</IUPAC_name></identification><comment>Chase,1998 p928.</comment><reference>j 6/65</reference><elements><element Fe="2" /><element Cl="6" /></elements><condensed>False</condensed><molecular_weight>0.32440800000000003</molecular_weight><hf298.15>-654377.600</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.034544447e+04</a1><a2>-8.234876600e+02</a2><a3>2.520090594e+01</a3><a4>-6.845796790e-03</a4><a5>8.255820750e-06</a5><a6>-5.248965660e-09</a6><a7>1.365242237e-12</a7><b1>-8.131847190e+04</b1><b2>-8.010768938e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-9.999118000e+04</a1><a2>-1.457716085e+01</a2><a3>2.201208460e+01</a3><a4>-5.229481130e-06</a4><a5>1.226831608e-09</a5><a6>-1.473195806e-13</a6><a7>7.078272330e-18</a7><b1>-8.551496190e+04</b1><b2>-6.143757198e+01</b2></T_range></specie><specie inp_file_name="Ga"><identification><InChIKey>GYHNNYVSQQEPJS-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Ga]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>gallium</IUPAC_name></identification><comment>Hf:Gurvich,1996a. Moore,1971. Johansson,1967. Gordon,1999.</comment><reference>g12/98</reference><elements><element Ga="1" /></elements><condensed>False</condensed><molecular_weight>0.069723</molecular_weight><hf298.15>272000.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>2.387947890e+05</a1><a2>-3.121634631e+03</a2><a3>1.630171272e+01</a3><a4>-2.347922342e-02</a4><a5>1.932327565e-05</a5><a6>-7.316311870e-09</a6><a7>8.857387735e-13</a7><b1>4.732717380e+04</b1><b2>-7.547172760e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-5.544186520e+04</a1><a2>8.808624420e+02</a2><a3>1.760717716e+00</a3><a4>2.993259460e-04</a4><a5>-5.610827310e-08</a5><a6>2.682832239e-12</a6><a7>3.132134914e-16</a7><b1>2.684351822e+04</b1><b2>1.252212023e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>2.288759836e+08</a1><a2>-6.759297920e+04</a2><a3>2.526821493e+00</a3><a4>1.463058875e-03</a4><a5>-1.250892936e-07</a5><a6>3.820116110e-12</a6><a7>-3.997883065e-17</a7><b1>6.402915740e+05</b1><b2>-8.083504020e+00</b2></T_range></specie><specie inp_file_name="Ga+"><identification><InChIKey>GYHNNYVSQQEPJS-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Ga]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>gallium</IUPAC_name></identification><comment>IP:Johansson,1967. Moore,1971. Gordon,1999.</comment><reference>g12/98</reference><elements><element Ga="1" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.0697224514</molecular_weight><hf298.15>856688.428</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>4.098344940e-04</a1><a2>-4.343581620e-06</a2><a3>2.500000019e+00</a3><a4>-4.389036810e-11</a4><a5>5.563969200e-14</a5><a6>-3.638228260e-17</a6><a7>9.607881995e-21</a7><b1>1.022899726e+05</b1><b2>5.215090460e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>3.566607140e+04</a1><a2>-1.108845546e+02</a2><a3>2.635517951e+00</a3><a4>-8.338973520e-05</a4><a5>2.734243614e-08</a5><a6>-4.555673740e-12</a6><a7>3.035050101e-16</a7><b1>1.029897430e+05</b1><b2>4.257075410e+00</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>1.880791061e+08</a1><a2>-1.410890480e+05</a2><a3>4.500268850e+01</a3><a4>-6.445582900e-03</a4><a5>5.005999840e-07</a5><a6>-1.789454995e-11</a6><a7>2.439723414e-16</a7><b1>1.191428220e+06</b1><b2>-3.545671850e+02</b2></T_range></specie><specie inp_file_name="GaBr"><identification><InChIKey>BSRKDCUDYOFITA-UHFFFAOYSA-M</InChIKey><canonical_smiles>[Ga]Br</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>bromogallium</IUPAC_name></identification><comment>Gurvich,1996a pt1 p239 pt2 p193</comment><reference>tpis96</reference><elements><element Ga="1" /><element Br="1" /></elements><condensed>False</condensed><molecular_weight>0.149627</molecular_weight><hf298.15>-17967.880</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-2.185275415e+03</a1><a2>-7.672232970e+01</a2><a3>4.770805670e+00</a3><a4>-4.497881060e-04</a4><a5>5.579853600e-07</a5><a6>-3.065156457e-10</a6><a7>7.042946040e-14</a7><b1>-3.138004818e+03</b1><b2>2.948144294e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>3.359805030e+05</a1><a2>-8.406836680e+02</a2><a3>5.145084730e+00</a3><a4>-3.265526000e-05</a4><a5>-7.671022750e-08</a5><a6>3.635123820e-11</a6><a7>-3.358177830e-15</a7><b1>2.035179445e+03</b1><b2>-4.277894080e-01</b2></T_range></specie><specie inp_file_name="GaBr2"><identification><InChIKey>QROVTEPZEROPGX-UHFFFAOYSA-L</InChIKey><canonical_smiles>[Ga](Br)Br</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dibromogallium</IUPAC_name></identification><comment>Gurvich,1996a pt1 p241 pt2 p194.</comment><reference>tpis96</reference><elements><element Ga="1" /><element Br="2" /></elements><condensed>False</condensed><molecular_weight>0.229531</molecular_weight><hf298.15>-149180.952</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>7.081681620e+03</a1><a2>-3.705766100e+02</a2><a3>8.418425360e+00</a3><a4>-3.001930915e-03</a4><a5>3.595477670e-06</a5><a6>-2.276883735e-09</a6><a7>5.913221770e-13</a7><b1>-1.821116655e+04</b1><b2>-9.512572050e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-3.302294360e+05</a1><a2>4.766722650e+02</a2><a3>7.104725400e+00</a3><a4>-5.522771210e-04</a4><a5>3.159876015e-07</a5><a6>-5.513637150e-11</a6><a7>3.173293230e-15</a7><b1>-2.365683620e+04</b1><b2>-1.162714892e+00</b2></T_range></specie><specie inp_file_name="GaBr3"><identification><InChIKey>SRVXDMYFQIODQI-UHFFFAOYSA-K</InChIKey><canonical_smiles>[Ga](Br)(Br)Br</canonical_smiles><cas_number>13450-88-9</cas_number><IUPAC_name>tribromogallane</IUPAC_name></identification><comment>Gurvich,1996a pt1 p243 pt2 p196.</comment><reference>tpis96</reference><elements><element Ga="1" /><element Br="3" /></elements><condensed>False</condensed><molecular_weight>0.309435</molecular_weight><hf298.15>-292962.663</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>6.363807340e+03</a1><a2>-5.142040450e+02</a2><a3>1.196065138e+01</a3><a4>-4.134637650e-03</a4><a5>4.933978330e-06</a5><a6>-3.111868526e-09</a6><a7>8.043631480e-13</a7><b1>-3.570415500e+04</b1><b2>-2.556896053e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-5.103063750e+04</a1><a2>-9.395209690e+00</a2><a3>1.000768765e+01</a3><a4>-3.295954300e-06</a4><a5>7.679838140e-10</a5><a6>-9.175147260e-14</a6><a7>4.391186940e-18</a7><b1>-3.833402150e+04</b1><b2>-1.410315914e+01</b2></T_range></specie><specie inp_file_name="GaCl"><identification><InChIKey>XOYLJNJLGBYDTH-UHFFFAOYSA-M</InChIKey><canonical_smiles>Cl[Ga]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>chlorogallium</IUPAC_name></identification><comment>Gurvich,1996a pt1 p231 pt2 p186</comment><reference>tpis96</reference><elements><element Ga="1" /><element Cl="1" /></elements><condensed>False</condensed><molecular_weight>0.105176</molecular_weight><hf298.15>-69621.440</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>6.417143000e+03</a1><a2>-2.257949147e+02</a2><a3>5.311673690e+00</a3><a4>-1.562280975e-03</a4><a5>1.836579731e-06</a5><a6>-1.100421873e-09</a6><a7>2.725812445e-13</a7><b1>-8.593892330e+03</b1><b2>-1.695911735e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-4.864842240e+05</a1><a2>1.452870183e+03</a2><a3>2.719542959e+00</a3><a4>1.144285628e-03</a4><a5>-3.431452860e-07</a5><a6>5.470440480e-11</a6><a7>-3.019622103e-15</a7><b1>-1.895084035e+04</b1><b2>1.570926145e+01</b2></T_range></specie><specie inp_file_name="GaCl2"><identification><InChIKey>XJWGZASPOAQVNB-UHFFFAOYSA-L</InChIKey><canonical_smiles>[Cl-].[Cl-].[Ga]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>gallium;dichloride</IUPAC_name></identification><comment>Gurvich,1996a pt1 p232 pt2 p187.</comment><reference>tpis96</reference><elements><element Ga="1" /><element Cl="2" /></elements><condensed>False</condensed><molecular_weight>0.140629</molecular_weight><hf298.15>-220978.909</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>2.225481851e+04</a1><a2>-6.046218440e+02</a2><a3>9.220388910e+00</a3><a4>-4.554400790e-03</a4><a5>5.324855180e-06</a5><a6>-3.308605570e-09</a6><a7>8.462235560e-13</a7><b1>-2.564550386e+04</b1><b2>-1.685409262e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-3.445405300e+05</a1><a2>4.714437160e+02</a2><a3>7.108775480e+00</a3><a4>-5.539433560e-04</a4><a5>3.163638240e-07</a5><a6>-5.518023930e-11</a6><a7>3.175353030e-15</a7><b1>-3.230936160e+04</b1><b2>-3.744840740e+00</b2></T_range></specie><specie inp_file_name="GaCl3"><identification><InChIKey>UPWPDUACHOATKO-UHFFFAOYSA-K</InChIKey><canonical_smiles>Cl[Ga](Cl)Cl</canonical_smiles><cas_number>13450-90-3</cas_number><IUPAC_name>trichlorogallane</IUPAC_name></identification><comment>Gurvich,1996a pt1 p235 pt2 p189.</comment><reference>tpis96</reference><elements><element Ga="1" /><element Cl="3" /></elements><condensed>False</condensed><molecular_weight>0.176082</molecular_weight><hf298.15>-432624.753</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>4.784948400e+04</a1><a2>-1.162678125e+03</a2><a3>1.408954213e+01</a3><a4>-8.106134290e-03</a4><a5>9.219430160e-06</a5><a6>-5.599710550e-09</a6><a7>1.404852600e-12</a7><b1>-4.915909730e+04</b1><b2>-4.282179383e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-9.466917310e+04</a1><a2>-2.561468254e+01</a2><a3>1.002010048e+01</a3><a4>-8.354073070e-06</a4><a5>1.901439055e-09</a5><a6>-2.231168493e-13</a6><a7>1.052949609e-17</a7><b1>-5.518201430e+04</b1><b2>-1.864958383e+01</b2></T_range></specie><specie inp_file_name="GaF"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1996a pt1 p224 pt2 p179</comment><reference>tpis96</reference><elements><element Ga="1" /><element F="1" /></elements><condensed>False</condensed><molecular_weight>0.08872140319999999</molecular_weight><hf298.15>-232608.491</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>3.670398010e+04</a1><a2>-5.336572220e+02</a2><a3>5.759291920e+00</a3><a4>-1.506128492e-03</a4><a5>9.509038450e-07</a5><a6>-1.830941130e-10</a6><a7>-3.135959193e-14</a7><b1>-2.647075690e+04</b1><b2>-6.589321880e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.983392279e+05</a1><a2>7.225157870e+02</a2><a3>3.639557430e+00</a3><a4>5.546736760e-04</a4><a5>-1.464901450e-07</a5><a6>2.177385396e-11</a6><a7>-1.031058874e-15</a7><b1>-3.408528710e+04</b1><b2>7.553960000e+00</b2></T_range></specie><specie inp_file_name="GaF2"><identification><InChIKey>XQCYHONINUUJPC-UHFFFAOYSA-L</InChIKey><canonical_smiles>F[Ga]F</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>difluorogallium</IUPAC_name></identification><comment>Gurvich,1996a pt1 p225 pt2 p180.</comment><reference>tpis96</reference><elements><element Ga="1" /><element F="2" /></elements><condensed>False</condensed><molecular_weight>0.10771980639999999</molecular_weight><hf298.15>-516712.441</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>6.842539530e+04</a1><a2>-8.897617740e+02</a2><a3>7.707455490e+00</a3><a4>2.072150890e-03</a4><a5>-5.289981930e-06</a5><a6>4.564127420e-09</a6><a7>-1.406942753e-12</a7><b1>-5.919856150e+04</b1><b2>-1.341142116e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>4.100251360e+05</a1><a2>-1.723259472e+03</a2><a3>8.951329220e+00</a3><a4>-1.059205682e-03</a4><a5>2.745755154e-07</a5><a6>-2.907681311e-11</a6><a7>1.084834142e-15</a7><b1>-5.376571600e+04</b1><b2>-2.113835528e+01</b2></T_range></specie><specie inp_file_name="GaF3"><identification><InChIKey>WXXZSFJVAMRMPV-UHFFFAOYSA-K</InChIKey><canonical_smiles>F[Ga](F)F</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>trifluorogallane</IUPAC_name></identification><comment>Gurvich,1996a pt1 p226 pt2 p182.</comment><reference>tpis96</reference><elements><element Ga="1" /><element F="3" /></elements><condensed>False</condensed><molecular_weight>0.1267182096</molecular_weight><hf298.15>-921476.983</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>9.593266700e+04</a1><a2>-1.355507494e+03</a2><a3>1.097760197e+01</a3><a4>3.461571720e-03</a4><a5>-8.469551950e-06</a5><a6>7.222468930e-09</a6><a7>-2.213328653e-12</a7><b1>-1.061479087e+05</b1><b2>-3.212651850e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.096961760e+05</a1><a2>-1.431211274e+02</a2><a3>1.010568378e+01</a3><a4>-4.184936820e-05</a4><a5>9.164759450e-09</a5><a6>-1.042661957e-12</a6><a7>4.799163450e-17</a7><b1>-1.136678134e+05</b1><b2>-2.392539330e+01</b2></T_range></specie><specie inp_file_name="GaH"><identification><InChIKey>XBIFJPLECUHRFG-UHFFFAOYSA-N</InChIKey><canonical_smiles>[GaH]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>$l^{1}-gallane</IUPAC_name></identification><comment>Gurvich,1996a pt1 p220 pt2 p177</comment><reference>tpis96</reference><elements><element Ga="1" /><element H="1" /></elements><condensed>False</condensed><molecular_weight>0.07073094</molecular_weight><hf298.15>214323.404</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-4.391876200e+04</a1><a2>6.254457120e+02</a2><a3>3.276862890e-01</a3><a4>6.496641500e-03</a4><a5>-3.802970010e-06</a5><a6>2.852103704e-10</a6><a7>3.626809130e-13</a7><b1>2.171260108e+04</b1><b2>2.224032244e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>3.257993990e+06</a1><a2>-1.109099502e+04</a2><a3>1.801126796e+01</a3><a4>-8.167719110e-03</a4><a5>2.601293566e-06</a5><a6>-3.813459350e-10</a6><a7>2.028049649e-14</a7><b1>9.369778240e+04</b1><b2>-9.820900220e+01</b2></T_range></specie><specie inp_file_name="GaI"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1996a pt1 p247 pt2 p200</comment><reference>tpis96</reference><elements><element Ga="1" /><element I="1" /></elements><condensed>False</condensed><molecular_weight>0.19662747</molecular_weight><hf298.15>44871.122</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-3.661855030e+03</a1><a2>-3.206924180e+01</a2><a3>4.599961920e+00</a3><a4>-8.899475460e-05</a4><a5>1.162792633e-07</a5><a6>-1.812351457e-11</a6><a7>-7.584619640e-15</a7><b1>4.198649370e+03</b1><b2>4.928964650e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.498356654e+06</a1><a2>-4.551967240e+03</a2><a3>9.803005350e+00</a3><a4>-2.943735609e-03</a4><a5>8.658040510e-07</a5><a6>-1.106638204e-10</a6><a7>5.007836860e-15</a7><b1>3.291811910e+04</b1><b2>-3.227359770e+01</b2></T_range></specie><specie inp_file_name="GaI2"><identification><InChIKey>IOCXZUJGNYQPLO-UHFFFAOYSA-L</InChIKey><canonical_smiles>[Ga](I)I</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>diiodogallium</IUPAC_name></identification><comment>Gurvich,1996a pt1 p249 pt2 p201.</comment><reference>tpis96</reference><elements><element Ga="1" /><element I="2" /></elements><condensed>False</condensed><molecular_weight>0.32353194</molecular_weight><hf298.15>-28954.965</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-9.831395900e+02</a1><a2>-2.152621259e+02</a2><a3>7.844318760e+00</a3><a4>-1.819797849e-03</a4><a5>2.210706958e-06</a5><a6>-1.416110855e-09</a6><a7>3.713762930e-13</a7><b1>-4.534090230e+03</b1><b2>-4.250516810e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-3.202879750e+05</a1><a2>4.796502330e+02</a2><a3>7.102333960e+00</a3><a4>-5.512657830e-04</a4><a5>3.157543452e-07</a5><a6>-5.510871940e-11</a6><a7>3.171977730e-15</a7><b1>-9.180919610e+03</b1><b2>7.275204880e-01</b2></T_range></specie><specie inp_file_name="GaI3"><identification><InChIKey>DWRNSCDYNYYYHT-UHFFFAOYSA-K</InChIKey><canonical_smiles>[Ga](I)(I)I</canonical_smiles><cas_number>13450-91-4</cas_number><IUPAC_name>triiodogallane</IUPAC_name></identification><comment>Gurvich,1996a pt1 p250 pt2 p203.</comment><reference>tpis96</reference><elements><element Ga="1" /><element I="3" /></elements><condensed>False</condensed><molecular_weight>0.45043641</molecular_weight><hf298.15>-115877.240</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-5.663472650e+03</a1><a2>-2.425937116e+02</a2><a3>1.095451119e+01</a3><a4>-2.059175489e-03</a4><a5>2.499117622e-06</a5><a6>-1.596502506e-09</a6><a7>4.167644060e-13</a7><b1>-1.576722832e+04</b1><b2>-1.646129942e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-3.164040130e+04</a1><a2>-4.208662830e+00</a2><a3>1.000352001e+01</a3><a4>-1.532650180e-06</a4><a5>3.611531540e-10</a5><a6>-4.350978870e-14</a6><a7>2.095704875e-18</a7><b1>-1.700058453e+04</b1><b2>-1.090291552e+01</b2></T_range></specie><specie inp_file_name="GaO"><identification><InChIKey>XCZLSTLZPIRTRY-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[Ga]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>oxogallium</IUPAC_name></identification><comment>Gurvich,1996a pt1 p214 pt2 p174</comment><reference>tpis96</reference><elements><element Ga="1" /><element O="1" /></elements><condensed>False</condensed><molecular_weight>0.08572239999999999</molecular_weight><hf298.15>146823.607</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>7.325543910e+04</a1><a2>-9.804269510e+02</a2><a3>7.844122760e+00</a3><a4>-7.171072850e-03</a4><a5>7.872780510e-06</a5><a6>-2.401464112e-09</a6><a7>-2.594919458e-13</a7><b1>2.140581724e+04</b1><b2>-1.799742951e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>2.937313804e+06</a1><a2>-1.118314112e+04</a2><a3>1.859366773e+01</a3><a4>-6.854753450e-03</a4><a5>1.665399251e-06</a5><a6>-1.887560878e-10</a6><a7>7.972686920e-15</a7><b1>8.530248080e+04</b1><b2>-9.904040480e+01</b2></T_range></specie><specie inp_file_name="GaOH"><identification><InChIKey>WPKKMSNSEHPCDS-UHFFFAOYSA-M</InChIKey><canonical_smiles>[OH-].[Ga+3]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>gallium;hydroxide</IUPAC_name></identification><comment>Gurvich,1996a pt1 p222 pt2 p178.</comment><reference>tpis96</reference><elements><element Ga="1" /><element O="1" /><element H="1" /></elements><condensed>False</condensed><molecular_weight>0.08673034</molecular_weight><hf298.15>-143630.495</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>6.963101870e+04</a1><a2>-1.247828695e+03</a2><a3>1.022001611e+01</a3><a4>-5.922534390e-03</a4><a5>4.643387400e-06</a5><a6>-1.215936978e-09</a6><a7>-2.945243614e-14</a7><b1>-1.275397794e+04</b1><b2>-3.217063000e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>8.429051010e+05</a1><a2>-2.372324595e+03</a2><a3>8.009071090e+00</a3><a4>8.777230710e-05</a4><a5>-5.943068910e-08</a5><a6>9.841943440e-12</a6><a7>-5.531552790e-16</a7><b1>-3.751788250e+03</b1><b2>-2.171053719e+01</b2></T_range></specie><specie inp_file_name="Ga2Br2"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1996a pt1 p244 pt2 p197.</comment><reference>tpis96</reference><elements><element Ga="2" /><element Br="2" /></elements><condensed>False</condensed><molecular_weight>0.299254</molecular_weight><hf298.15>-136963.692</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.117183241e+04</a1><a2>-7.471471620e+01</a2><a3>1.030246084e+01</a3><a4>-6.657929850e-04</a4><a5>8.200515850e-07</a5><a6>-5.297021520e-10</a6><a7>1.394553192e-13</a7><b1>-1.913297856e+04</b1><b2>-1.317110316e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.885373131e+04</a1><a2>-1.263621802e+00</a2><a3>1.000108034e+01</a3><a4>-4.774975660e-07</a4><a5>1.137227648e-10</a5><a6>-1.380820486e-14</a6><a7>6.690242430e-19</a7><b1>-1.951053843e+04</b1><b2>-1.141667594e+01</b2></T_range></specie><specie inp_file_name="Ga2Br4"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1996a pt1 p245 pt2 p198.</comment><reference>tpis96</reference><elements><element Ga="2" /><element Br="4" /></elements><condensed>False</condensed><molecular_weight>0.459062</molecular_weight><hf298.15>-415820.034</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.315545939e+04</a1><a2>-4.136553020e+02</a2><a3>1.762849229e+01</a3><a4>-3.514652160e-03</a4><a5>4.266937730e-06</a5><a6>-2.726515882e-09</a6><a7>7.118924490e-13</a7><b1>-5.283101810e+04</b1><b2>-4.427520690e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-5.742167210e+04</a1><a2>-7.160137370e+00</a2><a3>1.600598947e+01</a3><a4>-2.608182270e-06</a4><a5>6.146455950e-10</a5><a6>-7.405438650e-14</a6><a7>3.567126630e-18</a7><b1>-5.493389760e+04</b1><b2>-3.479271660e+01</b2></T_range></specie><specie inp_file_name="Ga2Br6"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1996a pt1 p246 pt2 p199.</comment><reference>tpis96</reference><elements><element Ga="2" /><element Br="6" /></elements><condensed>False</condensed><molecular_weight>0.61887</molecular_weight><hf298.15>-673688.732</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-6.725116890e+03</a1><a2>-8.067526550e+02</a2><a3>2.511671424e+01</a3><a4>-6.636514570e-03</a4><a5>7.977555700e-06</a5><a6>-5.059685210e-09</a6><a7>1.313546388e-12</a7><b1>-8.370635200e+04</b1><b2>-7.585278720e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-9.526173000e+04</a1><a2>-1.444681880e+01</a2><a3>2.201192546e+01</a3><a4>-5.145006740e-06</a4><a5>1.204348449e-09</a5><a6>-1.443806473e-13</a6><a7>6.928270740e-18</a7><b1>-8.782223300e+04</b1><b2>-5.765895120e+01</b2></T_range></specie><specie inp_file_name="Ga2Cl2"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1996a pt1 p237 pt2 p190.</comment><reference>tpis96</reference><elements><element Ga="2" /><element Cl="2" /></elements><condensed>False</condensed><molecular_weight>0.210352</molecular_weight><hf298.15>-220972.686</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-9.246133700e+03</a1><a2>-2.592159934e+02</a2><a3>1.102847129e+01</a3><a4>-2.231983927e-03</a4><a5>2.720723456e-06</a5><a6>-1.743798624e-09</a6><a7>4.563666040e-13</a7><b1>-2.834059821e+04</b1><b2>-2.067773272e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-3.668954200e+04</a1><a2>-4.434580680e+00</a2><a3>1.000373051e+01</a3><a4>-1.630793333e-06</a4><a5>3.853753320e-10</a5><a6>-4.652527730e-14</a6><a7>2.244498791e-18</a7><b1>-2.965633085e+04</b1><b2>-1.469535817e+01</b2></T_range></specie><specie inp_file_name="Ga2Cl4"><identification><InChIKey>PWLCSOLNWKZRPR-UHFFFAOYSA-J</InChIKey><canonical_smiles>[Cl-].[Cl-].[Cl-].[Cl-].[Ga].[Ga+3]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>gallium;gallium;tetrachloride</IUPAC_name></identification><comment>Gurvich,1996a pt1 p237 pt2 p191.</comment><reference>tpis96</reference><elements><element Ga="2" /><element Cl="4" /></elements><condensed>False</condensed><molecular_weight>0.281258</molecular_weight><hf298.15>-602326.828</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.637343702e+04</a1><a2>-1.140637354e+03</a2><a3>2.030139827e+01</a3><a4>-8.997746200e-03</a4><a5>1.067254867e-05</a5><a6>-6.700290620e-09</a6><a7>1.725749144e-12</a7><b1>-7.162385010e+04</b1><b2>-6.666361900e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.127110409e+05</a1><a2>-2.138517542e+01</a2><a3>1.601738077e+01</a3><a4>-7.415564640e-06</a4><a5>1.721694751e-09</a5><a6>-2.051361953e-13</a6><a7>9.797311500e-18</a7><b1>-7.746853380e+04</b1><b2>-4.147280870e+01</b2></T_range></specie><specie inp_file_name="Ga2Cl6"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1996a pt1 p238 pt2 p192.</comment><reference>tpis96</reference><elements><element Ga="2" /><element Cl="6" /></elements><condensed>False</condensed><molecular_weight>0.352164</molecular_weight><hf298.15>-962463.532</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>6.089469840e+04</a1><a2>-2.104456302e+03</a2><a3>2.959653878e+01</a3><a4>-1.537809796e-02</a4><a5>1.779096808e-05</a5><a6>-1.095619429e-08</a6><a7>2.779706493e-12</a7><b1>-1.118400535e+05</b1><b2>-1.121945814e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.898445426e+05</a1><a2>-4.413655240e+01</a2><a3>2.203505047e+01</a3><a4>-1.470071128e-05</a4><a5>3.369512810e-09</a5><a6>-3.975462800e-13</a6><a7>1.884231868e-17</a7><b1>-1.226969998e+05</b1><b2>-6.745332883e+01</b2></T_range></specie><specie inp_file_name="Ga2F2"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1996a pt1 p228 pt2 p183.</comment><reference>tpis96</reference><elements><element Ga="2" /><element F="2" /></elements><condensed>False</condensed><molecular_weight>0.17744280639999999</molecular_weight><hf298.15>-606231.344</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>2.978130650e+04</a1><a2>-1.013975520e+03</a2><a3>1.374933053e+01</a3><a4>-7.728050960e-03</a4><a5>9.064007330e-06</a5><a6>-5.641193220e-09</a6><a7>1.443106716e-12</a7><b1>-7.086083370e+04</b1><b2>-4.109833950e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-8.773234930e+04</a1><a2>-1.983775870e+01</a2><a3>1.001594030e+01</a3><a4>-6.744402830e-06</a4><a5>1.556129063e-09</a5><a6>-1.845316975e-13</a6><a7>8.780884020e-18</a7><b1>-7.607368630e+04</b1><b2>-1.908325521e+01</b2></T_range></specie><specie inp_file_name="Ga2F4"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1996a pt1 p228 pt2 p184.</comment><reference>tpis96</reference><elements><element Ga="2" /><element F="4" /></elements><condensed>False</condensed><molecular_weight>0.21543961279999999</molecular_weight><hf298.15>-1325002.958</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.422079998e+05</a1><a2>-2.798829941e+03</a2><a3>2.395904235e+01</a3><a4>-1.293904774e-02</a4><a5>1.223101326e-05</a5><a6>-6.251209820e-09</a6><a7>1.334919195e-12</a7><b1>-1.496013710e+05</b1><b2>-9.734153640e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.704366090e+05</a1><a2>-1.049957196e+02</a2><a3>1.607903965e+01</a3><a4>-3.178895920e-05</a4><a5>7.049582720e-09</a5><a6>-8.102379520e-13</a6><a7>3.760540530e-17</a7><b1>-1.644169589e+05</b1><b2>-4.896591730e+01</b2></T_range></specie><specie inp_file_name="Ga2F6"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1996a pt1 p230 pt2 p185.</comment><reference>tpis96</reference><elements><element Ga="2" /><element F="6" /></elements><condensed>False</condensed><molecular_weight>0.2534364192</molecular_weight><hf298.15>-2017623.843</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>2.409045572e+05</a1><a2>-4.142379800e+03</a2><a3>3.195773720e+01</a3><a4>-1.297914290e-02</a4><a5>8.959282190e-06</a5><a6>-2.733621068e-09</a6><a7>1.554030994e-13</a7><b1>-2.272785240e+05</b1><b2>-1.398403732e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-4.368664800e+05</a1><a2>-2.128208368e+02</a2><a3>2.215886373e+01</a3><a4>-6.346287910e-05</a4><a5>1.399738556e-08</a5><a6>-1.601732039e-12</a6><a7>7.407584420e-17</a7><b1>-2.494298707e+05</b1><b2>-7.787635830e+01</b2></T_range></specie><specie inp_file_name="Ga2I2"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1996a pt1 p252 pt2 p204.</comment><reference>tpis96</reference><elements><element Ga="2" /><element I="2" /></elements><condensed>False</condensed><molecular_weight>0.39325494</molecular_weight><hf298.15>13520.947</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-8.960252670e+03</a1><a2>-3.172057210e+01</a2><a3>1.012930491e+01</a3><a4>-2.860191165e-04</a4><a5>3.535333010e-07</a5><a6>-2.289632389e-10</a6><a7>6.040085360e-14</a7><b1>-1.233174068e+03</b1><b2>-9.801968380e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.219056501e+04</a1><a2>-5.287554470e-01</a2><a3>1.000045392e+01</a3><a4>-2.011599344e-07</a4><a5>4.799467810e-11</a5><a6>-5.834781080e-15</a6><a7>2.829565069e-19</a7><b1>-1.393258606e+03</b1><b2>-9.052614910e+00</b2></T_range></specie><specie inp_file_name="Ga2I4"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1996a pt1 p253 pt2 p205.</comment><reference>tpis96</reference><elements><element Ga="2" /><element I="4" /></elements><condensed>False</condensed><molecular_weight>0.64706388</molecular_weight><hf298.15>-159267.987</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.769495991e+04</a1><a2>-1.354871509e+02</a2><a3>1.654625333e+01</a3><a4>-1.199014713e-03</a4><a5>1.473754848e-06</a5><a6>-9.504796570e-10</a6><a7>2.499380837e-13</a7><b1>-2.333405795e+04</b1><b2>-3.325712890e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-3.171299760e+04</a1><a2>-2.287068836e+00</a2><a3>1.600194812e+01</a3><a4>-8.588964380e-07</a4><a5>2.041966602e-10</a5><a6>-2.476145769e-14</a6><a7>1.198551944e-18</a7><b1>-2.401940505e+04</b1><b2>-3.008672521e+01</b2></T_range></specie><specie inp_file_name="Ga2I6"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1996a pt1 p253 pt2 p206.</comment><reference>tpis96</reference><elements><element Ga="2" /><element I="6" /></elements><condensed>False</condensed><molecular_weight>0.90087282</molecular_weight><hf298.15>-317294.623</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-2.110891458e+04</a1><a2>-3.695404160e+02</a2><a3>2.346811836e+01</a3><a4>-3.189178210e-03</a4><a5>3.890339040e-06</a5><a6>-2.494830378e-09</a6><a7>6.532007280e-13</a7><b1>-4.301188090e+04</b1><b2>-6.014811500e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-6.015698150e+04</a1><a2>-6.329209230e+00</a2><a3>2.200533040e+01</a3><a4>-2.332008629e-06</a4><a5>5.513868480e-10</a5><a6>-6.659445350e-14</a6><a7>3.213670430e-18</a7><b1>-4.488699380e+04</b1><b2>-5.161008750e+01</b2></T_range></specie><specie inp_file_name="Ga2O"><identification><InChIKey>WVHDGIHNCTXPTR-UHFFFAOYSA-N</InChIKey><canonical_smiles>[O-2].[Ga].[Ga]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>gallium;oxygen(2-)</IUPAC_name></identification><comment>Gurvich,1996a pt1 p216 pt2 p175.</comment><reference>tpis96</reference><elements><element Ga="2" /><element O="1" /></elements><condensed>False</condensed><molecular_weight>0.1554454</molecular_weight><hf298.15>-99457.457</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>5.697197180e+04</a1><a2>-8.074085990e+02</a2><a3>7.733061540e+00</a3><a4>1.478450874e-03</a4><a5>-4.097743430e-06</a5><a6>3.581158920e-09</a6><a7>-1.107073202e-12</a7><b1>-9.512216820e+03</b1><b2>-1.256149299e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.193874986e+05</a1><a2>-8.719341610e+01</a2><a3>7.064678200e+00</a3><a4>-2.571524542e-05</a4><a5>5.651108490e-09</a5><a6>-6.448190540e-13</a6><a7>2.975374645e-17</a7><b1>-1.393694796e+04</b1><b2>-6.942801300e+00</b2></T_range></specie><specie inp_file_name="Ge"><identification><InChIKey>GNPVGFCGXDBREM-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Ge]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>germanium</IUPAC_name></identification><comment>Hf:Gurvich,1991 pt1 p311. Sugar,1993. Gordon,1999.</comment><reference>g 3/99</reference><elements><element Ge="1" /></elements><condensed>False</condensed><molecular_weight>0.07264</molecular_weight><hf298.15>367800.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-2.059215242e+04</a1><a2>-1.432022103e+02</a2><a3>4.506002330e+00</a3><a4>1.547187840e-03</a4><a5>-8.518296550e-06</a5><a6>8.243824460e-09</a6><a7>-2.566167305e-12</a7><b1>4.363070860e+04</b1><b2>-6.224648889e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-8.565413840e+05</a1><a2>3.917958660e+03</a2><a3>-1.809888212e+00</a3><a4>2.276482224e-03</a4><a5>-5.365627550e-07</a5><a6>5.984958090e-11</a6><a7>-2.541700646e-15</a7><b1>1.956518798e+04</b1><b2>3.841408752e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>2.423965136e+07</a1><a2>-2.543605174e+04</a2><a3>1.456087539e+01</a3><a4>-2.592562254e-03</a4><a5>2.658628502e-07</a5><a6>-1.122785077e-11</a6><a7>1.620997559e-16</a7><b1>2.295812461e+05</b1><b2>-8.953523898e+01</b2></T_range></specie><specie inp_file_name="Ge+"><identification><InChIKey>GNPVGFCGXDBREM-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Ge]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>germanium</IUPAC_name></identification><comment>Sugar,1993. Gordon,1999.</comment><reference>g 3/99</reference><elements><element Ge="1" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.0726394514</molecular_weight><hf298.15>1134984.385</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>-3.453666430e+05</a1><a2>4.008449710e+03</a2><a3>-1.522395737e+01</a3><a4>3.626030020e-02</a4><a5>-3.351367260e-05</a5><a6>1.431059219e-08</a6><a7>-2.236976459e-12</a7><b1>1.157058042e+05</b1><b2>1.090158182e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.244860570e+06</a1><a2>5.165531140e+03</a2><a3>-3.867516510e-01</a3><a4>8.528730940e-04</a4><a5>-1.386040003e-07</a5><a6>1.155945775e-11</a6><a7>-3.784413134e-16</a7><b1>1.006823985e+05</b1><b2>2.965845411e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>5.768056240e+07</a1><a2>-3.078606210e+04</a2><a3>8.706291820e+00</a3><a4>-4.942233500e-04</a4><a5>-2.690467703e-11</a5><a6>1.853441677e-12</a6><a7>-5.082067525e-17</a7><b1>3.857785420e+05</b1><b2>-4.842537137e+01</b2></T_range></specie><specie inp_file_name="Ge-"><identification><InChIKey>GNPVGFCGXDBREM-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Ge]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>germanium</IUPAC_name></identification><comment>Hotop,1985. Gordon,1999.</comment><reference>g 3/99</reference><elements><element Ge="1" /><element E="1" /></elements><condensed>False</condensed><molecular_weight>0.07264054860000001</molecular_weight><hf298.15>245402.540</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>2.989142308e+03</a1><a2>8.657417230e+01</a2><a3>2.191868507e+00</a3><a4>5.900795270e-04</a4><a5>-6.375800580e-07</a5><a6>3.661132150e-10</a6><a7>-8.689778450e-14</a7><b1>2.835695190e+04</b1><b2>9.417623637e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.352040246e+04</a1><a2>-5.048518780e-01</a2><a3>2.500140247e+00</a3><a4>-3.652944160e-09</a4><a5>-6.716722200e-12</a5><a6>1.378119925e-15</a6><a7>-8.475212940e-20</a7><b1>2.881739757e+04</b1><b2>7.577953867e+00</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>1.079877187e+04</a1><a2>1.149969180e+00</a2><a3>2.499738027e+00</a3><a4>3.051383052e-08</a4><a5>-1.930296476e-12</a5><a6>6.305166240e-17</a6><a7>-8.327676240e-22</a7><b1>2.880429709e+04</b1><b2>7.581467327e+00</b2></T_range></specie><specie inp_file_name="GeBr"><identification><InChIKey>OSKCUGWBNDYOKH-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Ge]Br</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>bromogermanium</IUPAC_name></identification><comment>Gurvich,1991 pt1 p333 pt2 p287.</comment><reference>tpis91</reference><elements><element Ge="1" /><element Br="1" /></elements><condensed>False</condensed><molecular_weight>0.152544</molecular_weight><hf298.15>137438.119</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-5.680774630e+04</a1><a2>9.173361260e+02</a2><a3>-2.224809366e+00</a3><a4>2.171239242e-02</a4><a5>-3.035490868e-05</a5><a6>2.011776305e-08</a6><a7>-5.202915040e-12</a7><b1>1.104192901e+04</b1><b2>4.107865983e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>2.256750476e+05</a1><a2>-7.310715460e+02</a2><a3>6.263283810e+00</a3><a4>-1.198085447e-03</a4><a5>4.000377770e-07</a5><a6>-5.429937880e-11</a6><a7>2.510481953e-15</a7><b1>1.942863606e+04</b1><b2>-6.106507844e+00</b2></T_range></specie><specie inp_file_name="GeBr2"><identification><InChIKey>DUVPPTXIBVUIKL-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Ge](Br)Br</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dibromogermanium</IUPAC_name></identification><comment>Gurvich,1991 pt1 p334 pt2 p288.</comment><reference>tpis91</reference><elements><element Ge="1" /><element Br="2" /></elements><condensed>False</condensed><molecular_weight>0.23244800000000002</molecular_weight><hf298.15>-60962.897</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.649285325e+03</a1><a2>-2.296262116e+02</a2><a3>7.900144680e+00</a3><a4>-1.936685504e-03</a4><a5>2.345776175e-06</a5><a6>-1.496279368e-09</a6><a7>3.901453500e-13</a7><b1>-8.316624210e+03</b1><b2>-6.918156136e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.636655245e+04</a1><a2>-3.990509020e+00</a2><a3>7.003327440e+00</a3><a4>-1.445749787e-06</a4><a5>3.401591360e-10</a5><a6>-4.093457030e-14</a6><a7>1.969987842e-18</a7><b1>-9.484999250e+03</b1><b2>-1.673617098e+00</b2></T_range></specie><specie inp_file_name="GeBr3"><identification><InChIKey>HRMDLUMVPGOULA-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Ge](Br)(Br)Br</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>tribromogermanium</IUPAC_name></identification><comment>Gurvich,1991 pt1 p335 pt2 p289.</comment><reference>tpis91</reference><elements><element Ge="1" /><element Br="3" /></elements><condensed>False</condensed><molecular_weight>0.31235199999999996</molecular_weight><hf298.15>-119031.308</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>2.725568677e+03</a1><a2>-5.186213260e+02</a2><a3>1.199957754e+01</a3><a4>-4.251024530e-03</a4><a5>5.103629720e-06</a5><a6>-3.233706250e-09</a6><a7>8.388358860e-13</a7><b1>-1.477988251e+04</b1><b2>-2.534555678e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-5.433926700e+04</a1><a2>-9.280327950e+00</a2><a3>1.000765019e+01</a3><a4>-3.297322150e-06</a4><a5>7.712929260e-10</a5><a6>-9.241571850e-14</a6><a7>4.432876230e-18</a7><b1>-1.742697092e+04</b1><b2>-1.366946296e+01</b2></T_range></specie><specie inp_file_name="GeBr4"><identification><InChIKey>VJHDVMPJLLGYBL-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Ge](Br)(Br)(Br)Br</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>tetrabromogermane</IUPAC_name></identification><comment>Gurvich,1991 pt1 p336 pt2 p290.</comment><reference>tpis91</reference><elements><element Ge="1" /><element Br="4" /></elements><condensed>False</condensed><molecular_weight>0.392256</molecular_weight><hf298.15>-291000.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>5.431940390e+03</a1><a2>-6.777748800e+02</a2><a3>1.560015305e+01</a3><a4>-5.507788880e-03</a4><a5>6.594764290e-06</a5><a6>-4.170146140e-09</a6><a7>1.080116643e-12</a7><b1>-3.557606400e+04</b1><b2>-4.209122927e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-6.977757910e+04</a1><a2>-1.179873115e+01</a2><a3>1.300953955e+01</a3><a4>-4.024938750e-06</a4><a5>9.203567210e-10</a5><a6>-1.076853369e-13</a6><a7>5.040954800e-18</a7><b1>-3.904148160e+04</b1><b2>-2.689436070e+01</b2></T_range></specie><specie inp_file_name="GeCl"><identification><InChIKey>MFWRCAQESKCGKS-UHFFFAOYSA-N</InChIKey><canonical_smiles>Cl[Ge]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>chlorogermanium</IUPAC_name></identification><comment>Gurvich,1991 pt1 p328 pt2 p283.</comment><reference>tpis91</reference><elements><element Ge="1" /><element Cl="1" /></elements><condensed>False</condensed><molecular_weight>0.10809300000000001</molecular_weight><hf298.15>69029.915</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.069724739e+04</a1><a2>-2.241238266e+01</a2><a3>1.987371070e+00</a3><a4>1.368270905e-02</a4><a5>-2.358294414e-05</a5><a6>1.786756020e-08</a6><a7>-5.102503250e-12</a7><b1>7.440683390e+03</b1><b2>1.505837189e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-3.784193250e+05</a1><a2>1.429309204e+03</a2><a3>3.194854640e+00</a3><a4>8.119939120e-04</a4><a5>-2.652459954e-07</a5><a6>5.151957880e-11</a6><a7>-3.534214570e-15</a7><b1>-2.087046335e+03</b1><b2>1.385033820e+01</b2></T_range></specie><specie inp_file_name="GeCl2"><identification><InChIKey>QHGIKMVOLGCZIP-UHFFFAOYSA-N</InChIKey><canonical_smiles>Cl[Ge]Cl</canonical_smiles><cas_number>10060-11-4</cas_number><IUPAC_name>dichlorogermanium</IUPAC_name></identification><comment>Gurvich,1991 pt1 p330 pt2 p284.</comment><reference>tpis91</reference><elements><element Ge="1" /><element Cl="2" /></elements><condensed>False</condensed><molecular_weight>0.14354599999999998</molecular_weight><hf298.15>-171000.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.838536673e+04</a1><a2>-5.827205340e+02</a2><a3>9.161404660e+00</a3><a4>-4.464786030e-03</a4><a5>5.244873550e-06</a5><a6>-3.268067210e-09</a6><a7>8.367575420e-13</a7><b1>-1.975798598e+04</b1><b2>-1.734321630e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-4.890128920e+04</a1><a2>-1.126210418e+01</a2><a3>7.009063530e+00</a3><a4>-3.839180730e-06</a4><a5>8.865633570e-10</a5><a6>-1.052000540e-13</a6><a7>5.008422220e-18</a7><b1>-2.275254424e+04</b1><b2>-4.656641298e+00</b2></T_range></specie><specie inp_file_name="GeCl3"><identification><InChIKey>YITSIQZHKDXQEI-UHFFFAOYSA-N</InChIKey><canonical_smiles>Cl[Ge](Cl)Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>trichlorogermanium</IUPAC_name></identification><comment>Hf:Gurvich,1991 pt1 p331. Gurvich,1979 pt2 p287.</comment><reference>g 6/01</reference><elements><element Ge="1" /><element Cl="3" /></elements><condensed>False</condensed><molecular_weight>0.178999</molecular_weight><hf298.15>-266950.589</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.935859579e+04</a1><a2>-8.342020000e+02</a2><a3>1.312702530e+01</a3><a4>-6.511390020e-03</a4><a5>7.696277480e-06</a5><a6>-4.818541730e-09</a6><a7>1.238399959e-12</a7><b1>-3.097218753e+04</b1><b2>-3.552547184e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-7.574499820e+04</a1><a2>-1.579213420e+01</a2><a3>1.001278835e+01</a3><a4>-5.441738310e-06</a4><a5>1.260936724e-09</a5><a6>-1.500137106e-13</a6><a7>7.156400810e-18</a7><b1>-3.525131720e+04</b1><b2>-1.719719944e+01</b2></T_range></specie><specie inp_file_name="GeCl4"><identification><InChIKey>IEXRMSFAVATTJX-UHFFFAOYSA-N</InChIKey><canonical_smiles>Cl[Ge](Cl)(Cl)Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>tetrachlorogermane</IUPAC_name></identification><comment>Gurvich,1991 pt1 p332 pt2 p286.</comment><reference>tpis91</reference><elements><element Ge="1" /><element Cl="4" /></elements><condensed>False</condensed><molecular_weight>0.214452</molecular_weight><hf298.15>-500000.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>6.502870410e+04</a1><a2>-1.652482760e+03</a2><a3>1.881327000e+01</a3><a4>-1.152426810e-02</a4><a5>1.310809980e-05</a5><a6>-7.961956110e-09</a6><a7>1.997505040e-12</a7><b1>-5.570052390e+04</b1><b2>-6.754438135e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.376261210e+05</a1><a2>-3.603769500e+01</a2><a3>1.302816670e+01</a3><a4>-1.164956960e-05</a4><a5>2.636193380e-09</a5><a6>-3.072926720e-13</a6><a7>1.439808750e-17</a7><b1>-6.426281780e+04</b1><b2>-3.318158305e+01</b2></T_range></specie><specie inp_file_name="GeF"><identification><InChIKey>HHFCFXJTAZTLAO-UHFFFAOYSA-N</InChIKey><canonical_smiles>F[Ge]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>fluorogermanium</IUPAC_name></identification><comment>Gurvich,1991 pt1 p324 pt2 p279.</comment><reference>tpis91</reference><elements><element Ge="1" /><element F="1" /></elements><condensed>False</condensed><molecular_weight>0.0916384032</molecular_weight><hf298.15>-70592.990</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>5.017097820e+04</a1><a2>-4.395552520e+02</a2><a3>2.990864513e+00</a3><a4>1.252766738e-02</a4><a5>-2.337593226e-05</a5><a6>1.841631179e-08</a6><a7>-5.398492260e-12</a7><b1>-7.093516400e+03</b1><b2>7.064248931e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-5.150480580e+05</a1><a2>1.659711777e+03</a2><a3>2.999610299e+00</a3><a4>8.198511680e-04</a4><a5>-2.271982948e-07</a5><a6>3.624183860e-11</a6><a7>-2.133840473e-15</a7><b1>-2.051529487e+04</b1><b2>1.373154230e+01</b2></T_range></specie><specie inp_file_name="GeF2"><identification><InChIKey>GGJOARIBACGTDV-UHFFFAOYSA-N</InChIKey><canonical_smiles>F[Ge]F</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>difluorogermanium</IUPAC_name></identification><comment>Gurvich,1991 pt1 p326 pt2 p280.</comment><reference>tpis91</reference><elements><element Ge="1" /><element F="2" /></elements><condensed>False</condensed><molecular_weight>0.1106368064</molecular_weight><hf298.15>-574000.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>7.543097080e+04</a1><a2>-1.108456469e+03</a2><a3>9.078898270e+00</a3><a4>-1.445630636e-03</a4><a5>-6.575322320e-07</a5><a6>1.475344103e-09</a6><a7>-5.811220270e-13</a7><b1>-6.510685550e+04</b1><b2>-2.200457134e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.275327716e+05</a1><a2>-7.162591350e+01</a2><a3>7.053002370e+00</a3><a4>-2.101910441e-05</a4><a5>4.607893700e-09</a5><a6>-5.246394670e-13</a6><a7>2.416218951e-17</a7><b1>-7.112637630e+04</b1><b2>-8.483841439e+00</b2></T_range></specie><specie inp_file_name="GeF3"><identification><InChIKey>BEQMVOIHNFIXEP-UHFFFAOYSA-N</InChIKey><canonical_smiles>F[Ge](F)F</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>trifluorogermanium</IUPAC_name></identification><comment>Hf:Gurvich,1991 pt1 p327. Gurvich,1979 v2 pt2 p283.</comment><reference>g 6/01</reference><elements><element Ge="1" /><element F="3" /></elements><condensed>False</condensed><molecular_weight>0.1296352096</molecular_weight><hf298.15>-806332.833</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.114121569e+05</a1><a2>-1.776908030e+03</a2><a3>1.352166477e+01</a3><a4>-2.983622949e-03</a4><a5>-3.612749750e-08</a5><a6>1.621528436e-09</a6><a7>-7.199011780e-13</a7><b1>-9.038262960e+04</b1><b2>-4.568760023e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.069580129e+05</a1><a2>-1.110233803e+02</a2><a3>1.008234122e+01</a3><a4>-3.271676260e-05</a4><a5>7.183896700e-09</a5><a6>-8.190388120e-13</a6><a7>3.776322440e-17</a7><b1>-9.999749090e+04</b1><b2>-2.303465940e+01</b2></T_range></specie><specie inp_file_name="GeF4"><identification><InChIKey>PPMWWXLUCOODDK-UHFFFAOYSA-N</InChIKey><canonical_smiles>F[Ge](F)(F)F</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>tetrafluorogermane</IUPAC_name></identification><comment>Gurvich,1991 pt1 p328 pt2 p282.</comment><reference>tpis91</reference><elements><element Ge="1" /><element F="4" /></elements><condensed>False</condensed><molecular_weight>0.1486336128</molecular_weight><hf298.15>-1190150.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.119818968e+05</a1><a2>-1.636859630e+03</a2><a3>1.231371005e+01</a3><a4>1.025446325e-02</a4><a5>-1.893783072e-05</a5><a6>1.476849261e-08</a6><a7>-4.325174110e-12</a7><b1>-1.374265128e+05</b1><b2>-4.104202391e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-3.253032680e+05</a1><a2>-2.538279448e+02</a2><a3>1.318792173e+01</a3><a4>-7.460058550e-05</a4><a5>1.637384721e-08</a5><a6>-1.866482733e-12</a6><a7>8.605530500e-17</a7><b1>-1.466176526e+05</b1><b2>-4.122237561e+01</b2></T_range></specie><specie inp_file_name="GeH4"><identification><InChIKey>QUZPNFFHZPRKJD-UHFFFAOYSA-N</InChIKey><canonical_smiles>[GeH4]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>germane</IUPAC_name></identification><comment>Barin,1989 pt1 p628.</comment><reference>bar89</reference><elements><element Ge="1" /><element H="4" /></elements><condensed>False</condensed><molecular_weight>0.07667176</molecular_weight><hf298.15>90793.000</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>-2.568398191e+05</a1><a2>-4.132811450e+01</a2><a3>7.755116280e+00</a3><a4>2.129640783e-03</a4><a5>7.255053610e-07</a5><a6>-5.096314010e-10</a6><a7>1.431608261e-13</a7><b1>7.881538040e+03</b1><b2>-2.030107999e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-3.809805880e+06</a1><a2>1.093167093e+04</a2><a3>-5.149675410e+00</a3><a4>9.485931370e-03</a4><a5>-1.649459859e-06</a5><a6>1.419674126e-10</a6><a7>-5.004639750e-15</a7><b1>-6.158518520e+04</b1><b2>7.168961273e+01</b2></T_range></specie><specie inp_file_name="GeI"><identification><InChIKey>MLBDBPUCHBDKEA-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Ge]I</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>iodogermanium</IUPAC_name></identification><comment>Gurvich,1991 pt1 p337 pt2 p291.</comment><reference>tpis91</reference><elements><element Ge="1" /><element I="1" /></elements><condensed>False</condensed><molecular_weight>0.19954447</molecular_weight><hf298.15>210969.120</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-7.438308220e+04</a1><a2>1.033759595e+03</a2><a3>-1.520491112e+00</a3><a4>1.555125152e-02</a4><a5>-1.683415215e-05</a5><a6>8.383557810e-09</a6><a7>-1.550875391e-12</a7><b1>1.912920413e+04</b1><b2>3.959395473e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.133148437e+05</a1><a2>-2.953079008e+02</a2><a3>6.876607360e+00</a3><a4>-2.102579132e-03</a4><a5>8.596299380e-07</a5><a6>-1.447692760e-10</a6><a7>8.401042790e-15</a7><b1>2.452326136e+04</b1><b2>-8.549783749e+00</b2></T_range></specie><specie inp_file_name="GeO"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1991 pt1 p315 pt2 p274.</comment><reference>tpis91</reference><elements><element Ge="1" /><element O="1" /></elements><condensed>False</condensed><molecular_weight>0.0886394</molecular_weight><hf298.15>-37694.307</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-6.781225630e+03</a1><a2>2.791946972e+02</a2><a3>6.198952860e-01</a3><a4>1.111378013e-02</a4><a5>-1.501027092e-05</a5><a6>1.006783003e-08</a6><a7>-2.687101932e-12</a7><b1>-6.711847430e+03</b1><b2>2.156441027e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.044508485e+06</a1><a2>2.734866048e+03</a2><a3>1.298071298e+00</a3><a4>1.832638634e-03</a4><a5>-5.060986350e-07</a5><a6>6.374958020e-11</a6><a7>-2.172371872e-15</a7><b1>-2.362104658e+04</b1><b2>2.350906051e+01</b2></T_range></specie><specie inp_file_name="GeO2"><identification><InChIKey>YBMRDBCBODYGJE-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[Ge]=O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dioxogermane</IUPAC_name></identification><comment>Gurvich,1991 pt1 p323 pt2 p278.</comment><reference>tpis91</reference><elements><element Ge="1" /><element O="2" /></elements><condensed>False</condensed><molecular_weight>0.1046388</molecular_weight><hf298.15>-106171.998</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-3.824173830e+03</a1><a2>1.563451633e+02</a2><a3>1.694198285e+00</a3><a4>1.756205059e-02</a4><a5>-2.418270032e-05</a5><a6>1.632388154e-08</a6><a7>-4.368957860e-12</a7><b1>-1.477534880e+04</b1><b2>1.556926515e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.727347526e+05</a1><a2>-2.961154443e+02</a2><a3>7.720726250e+00</a3><a4>-8.824933390e-05</a4><a5>1.949874702e-08</a5><a6>-2.235834829e-12</a6><a7>1.036128507e-16</a7><b1>-1.387983288e+04</b1><b2>-1.669845695e+01</b2></T_range></specie><specie inp_file_name="GeS"><identification><InChIKey>VDNSGQQAZRMTCI-UHFFFAOYSA-N</InChIKey><canonical_smiles>S=[Ge]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>sulfanylidenegermanium</IUPAC_name></identification><comment>Gurvich,1991 pt1 p344 pt2 p297.</comment><reference>tpis91</reference><elements><element Ge="1" /><element S="1" /></elements><condensed>False</condensed><molecular_weight>0.10470499999999999</molecular_weight><hf298.15>92525.110</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>3.661018430e+04</a1><a2>-5.659653500e+02</a2><a3>6.152936410e+00</a3><a4>-2.746908039e-03</a4><a5>2.733435196e-06</a5><a6>-1.460209187e-09</a6><a7>3.278709470e-13</a7><b1>1.274175754e+04</b1><b2>-7.705659460e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.351367441e+06</a1><a2>7.211581860e+03</a2><a3>-4.362526310e+00</a3><a4>5.451737750e-03</a4><a5>-1.721002774e-06</a5><a6>2.632908084e-10</a6><a7>-1.394374040e-14</a7><b1>-3.583317250e+04</b1><b2>6.505566891e+01</b2></T_range></specie><specie inp_file_name="GeS2"><identification><InChIKey>YIZVROFXIVWAAZ-UHFFFAOYSA-N</InChIKey><canonical_smiles>S=[Ge]=S</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>bis(sulfanylidene)germane</IUPAC_name></identification><comment>Gurvich,1991 pt1 p347 pt2 p299.</comment><reference>tpis91</reference><elements><element Ge="1" /><element S="2" /></elements><condensed>False</condensed><molecular_weight>0.13677</molecular_weight><hf298.15>118817.831</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>5.543683600e+04</a1><a2>-1.024826697e+03</a2><a3>1.057594552e+01</a3><a4>-5.287883910e-03</a4><a5>5.295803080e-06</a5><a6>-2.872529530e-09</a6><a7>6.519027550e-13</a7><b1>1.735579668e+04</b1><b2>-2.991719536e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-8.970980360e+04</a1><a2>-3.364377000e+01</a2><a3>7.525433720e+00</a3><a4>-1.026368137e-05</a4><a5>2.282230718e-09</a5><a6>-2.628748770e-13</a6><a7>1.222218614e-17</a7><b1>1.195232103e+04</b1><b2>-1.135170616e+01</b2></T_range></specie><specie inp_file_name="Ge2"><identification><InChIKey>VXGHASBVNMHGDI-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Ge]=[Ge]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>$l^{2}-germanylidenegermanium</IUPAC_name></identification><comment>Gurvich,1991 pt1 p313 pt2 p273.</comment><reference>tpis91</reference><elements><element Ge="2" /></elements><condensed>False</condensed><molecular_weight>0.14528</molecular_weight><hf298.15>471498.929</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>2.161978929e+05</a1><a2>-3.079621733e+03</a2><a3>1.888047728e+01</a3><a4>-2.604825861e-02</a4><a5>2.279151350e-05</a5><a6>-9.028351270e-09</a6><a7>1.146806387e-12</a7><b1>7.032402550e+04</b1><b2>-7.901095968e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.969461258e+06</a1><a2>-5.248687100e+03</a2><a3>1.058277303e+01</a3><a4>-3.336551510e-03</a4><a5>1.052745838e-06</a5><a6>-1.484534793e-10</a6><a7>7.475431760e-15</a7><b1>8.925665990e+04</b1><b2>-3.750233948e+01</b2></T_range></specie><specie inp_file_name="H"><identification><InChIKey>GPRLSGONYQIRFK-UHFFFAOYSA-N</InChIKey><canonical_smiles>[H+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>hydron</IUPAC_name></identification><comment>D0(H2):Herzberg,1970. Moore,1972. Gordon,1999.</comment><reference>g 6/97</reference><elements><element H="1" /></elements><condensed>False</condensed><molecular_weight>0.0010079400000000001</molecular_weight><hf298.15>217998.828</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.500000000e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>2.547370801e+04</b1><b2>-4.466828530e-01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>6.078774250e+01</a1><a2>-1.819354417e-01</a2><a3>2.500211817e+00</a3><a4>-1.226512864e-07</a4><a5>3.732876330e-11</a5><a6>-5.687744560e-15</a6><a7>3.410210197e-19</a7><b1>2.547486398e+04</b1><b2>-4.481917770e-01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>2.173757694e+08</a1><a2>-1.312035403e+05</a2><a3>3.399174200e+01</a3><a4>-3.813999680e-03</a4><a5>2.432854837e-07</a5><a6>-7.694275540e-12</a6><a7>9.644105630e-17</a7><b1>1.067638086e+06</b1><b2>-2.742301051e+02</b2></T_range></specie><specie inp_file_name="H+"><identification><InChIKey>GPRLSGONYQIRFK-UHFFFAOYSA-N</InChIKey><canonical_smiles>[H+]</canonical_smiles><cas_number>12408-02-5</cas_number><IUPAC_name>hydron</IUPAC_name></identification><comment>IP(H): Moore,1972. Gordon,1999.</comment><reference>g10/00</reference><elements><element H="1" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.0010073914</molecular_weight><hf298.15>1536245.928</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.500000000e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>1.840214877e+05</b1><b2>-1.140646644e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.500000000e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>1.840214877e+05</b1><b2>-1.140646644e+00</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.500000000e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>1.840214877e+05</b1><b2>-1.140646644e+00</b2></T_range></specie><specie inp_file_name="H-"><identification><InChIKey>GPRLSGONYQIRFK-UHFFFAOYSA-N</InChIKey><canonical_smiles>[H+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>hydron</IUPAC_name></identification><comment>Hotop,1985. Gordon,1999.</comment><reference>g 9/96</reference><elements><element H="1" /><element E="1" /></elements><condensed>False</condensed><molecular_weight>0.0010084885999999999</molecular_weight><hf298.15>139031.328</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.500000000e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>1.597615494e+04</b1><b2>-1.139013868e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.500000000e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>1.597615494e+04</b1><b2>-1.139013868e+00</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.500000000e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>1.597615494e+04</b1><b2>-1.139013868e+00</b2></T_range></specie><specie inp_file_name="HAlO"><identification><InChIKey>MHCAFGMQMCSRGH-UHFFFAOYSA-M</InChIKey><canonical_smiles>[OH-].[Al]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>aluminum;hydroxide</IUPAC_name></identification><comment>Gurvich,1996a pt1 p147 pt2 p111.</comment><reference>tpis96</reference><elements><element Al="1" /><element O="1" /><element H="1" /></elements><condensed>False</condensed><molecular_weight>0.043988878</molecular_weight><hf298.15>1821.114</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>2.668671568e+04</a1><a2>-4.663214590e+02</a2><a3>5.383800210e+00</a3><a4>2.902425002e-03</a4><a5>-2.243677610e-07</a5><a6>-1.516294323e-09</a6><a7>6.951737660e-13</a7><b1>1.235914473e+03</b1><b2>-6.508837520e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>7.847467050e+04</a1><a2>-1.515628850e+03</a2><a3>8.572776230e+00</a3><a4>-4.142611440e-04</a4><a5>8.935081700e-08</a5><a6>-1.007036446e-11</a6><a7>4.608017250e-16</a7><b1>6.663241890e+03</b1><b2>-2.672948642e+01</b2></T_range></specie><specie inp_file_name="HAlO2"><identification><InChIKey>FAHBNUUHRFUEAI-UHFFFAOYSA-M</InChIKey><canonical_smiles>O[Al]=O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>hydroxy(oxo)alumane</IUPAC_name></identification><comment>Gurvich,1996a pt1 p148 pt2 p112.</comment><reference>tpis96</reference><elements><element H="1" /><element Al="1" /><element O="2" /></elements><condensed>False</condensed><molecular_weight>0.059988278</molecular_weight><hf298.15>-355473.551</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>3.544598910e+03</a1><a2>1.159819104e+02</a2><a3>8.637970690e-01</a3><a4>2.460875785e-02</a4><a5>-3.423160120e-05</a5><a6>2.373182987e-08</a6><a7>-6.467608830e-12</a7><b1>-4.449506140e+04</b1><b2>2.012317065e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>6.985705440e+05</a1><a2>-2.864935042e+03</a2><a3>1.086721494e+01</a3><a4>-5.368312700e-05</a4><a5>-2.836877559e-08</a5><a6>6.291641190e-12</a6><a7>-3.889033110e-16</a7><b1>-2.764392495e+04</b1><b2>-3.775886340e+01</b2></T_range></specie><specie inp_file_name="HBO"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Boron oxide-hydride Gurvich,1996a pt1 p39,pt2 p23.</comment><reference>tpis96</reference><elements><element H="1" /><element B="1" /><element O="1" /></elements><condensed>False</condensed><molecular_weight>0.02781834</molecular_weight><hf298.15>-210621.205</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>6.360975030e+04</a1><a2>-8.001557590e+02</a2><a3>6.218816130e+00</a3><a4>-7.801679980e-04</a4><a5>3.141286759e-06</a5><a6>-2.031853478e-09</a6><a7>3.738552890e-13</a7><b1>-2.240282910e+04</b1><b2>-1.326952393e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>8.861860230e+05</a1><a2>-3.913068050e+03</a2><a3>9.888644800e+00</a3><a4>-8.222269140e-04</a4><a5>1.621530554e-07</a5><a6>-1.703550237e-11</a6><a7>7.372740020e-16</a7><b1>-3.161852029e+03</b1><b2>-4.036812720e+01</b2></T_range></specie><specie inp_file_name="HBO+"><identification><InChIKey>WNDZGSZAABWBMU-UHFFFAOYSA-N</InChIKey><canonical_smiles>[B]O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>hydroxyboron</IUPAC_name></identification><comment>Chase,1998 p223 12/75.</comment><reference>g 1/01</reference><elements><element H="1" /><element B="1" /><element O="1" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.0278177914</molecular_weight><hf298.15>1175219.729</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>6.524471470e+04</a1><a2>-7.047337360e+02</a2><a3>5.294271870e+00</a3><a4>1.308494598e-03</a4><a5>2.088343622e-06</a5><a6>-2.564100339e-09</a6><a7>8.198981250e-13</a7><b1>1.439293436e+05</b1><b2>-6.816749230e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.836083606e+04</a1><a2>-1.212975446e+03</a2><a3>6.822901960e+00</a3><a4>9.142272500e-04</a4><a5>-2.665355457e-07</a5><a6>3.297049810e-11</a6><a7>-1.530684082e-15</a7><b1>1.463617504e+05</b1><b2>-1.699646159e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>-2.428406068e+07</a1><a2>1.188114816e+04</a2><a3>5.641928570e+00</a3><a4>1.354130653e-04</a4><a5>-2.943428505e-09</a5><a6>-3.120357467e-14</a6><a7>1.432576207e-18</a7><b1>3.883449210e+04</b1><b2>-3.069802126e+00</b2></T_range></specie><specie inp_file_name="HBO2"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1996a pt1 p42 pt2 p26.</comment><reference>tpis96</reference><elements><element H="1" /><element B="1" /><element O="2" /></elements><condensed>False</condensed><molecular_weight>0.04381774</molecular_weight><hf298.15>-560210.053</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>6.225087470e+03</a1><a2>7.566153690e+01</a2><a3>1.253406833e+00</a3><a4>1.748006535e-02</a4><a5>-1.982688351e-05</a5><a6>1.229656460e-08</a6><a7>-3.153609847e-12</a7><b1>-6.878588780e+04</b1><b2>1.767793507e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.049369185e+06</a1><a2>-4.479145480e+03</a2><a3>1.197755861e+01</a3><a4>-4.735743400e-04</a4><a5>6.080207140e-08</a5><a6>-3.641565440e-12</a6><a7>6.155973170e-17</a7><b1>-4.221149470e+04</b1><b2>-4.911366820e+01</b2></T_range></specie><specie inp_file_name="HBS"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Chase,1998 p227 12/75. Jacox,1994.</comment><reference>g 2/01</reference><elements><element H="1" /><element B="1" /><element S="1" /></elements><condensed>False</condensed><molecular_weight>0.04388394</molecular_weight><hf298.15>50208.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>5.649966210e+04</a1><a2>-5.466409950e+02</a2><a3>3.636458390e+00</a3><a4>9.963657670e-03</a4><a5>-1.395090386e-05</a5><a6>1.032834167e-08</a6><a7>-3.047186722e-12</a7><b1>7.919860530e+03</b1><b2>1.182455314e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.021836183e+05</a1><a2>-5.052026620e+02</a2><a3>6.415218280e+00</a3><a4>1.049432932e-03</a4><a5>-3.683146690e-07</a5><a6>5.342968310e-11</a6><a7>-2.154140451e-15</a7><b1>6.485475620e+03</b1><b2>-1.331379864e+01</b2></T_range></specie><specie inp_file_name="HBS+"><identification><InChIKey>DERPBDGEEDNECM-UHFFFAOYSA-N</InChIKey><canonical_smiles>[B]S</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>sulfanylboron</IUPAC_name></identification><comment>Chase,1998 p228 12/75. Jacox,1998 p141.</comment><reference>g 1/01</reference><elements><element H="1" /><element B="1" /><element S="1" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.0438833914</molecular_weight><hf298.15>1129458.967</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>1.489509163e+05</a1><a2>-1.847661736e+03</a2><a3>1.147458020e+01</a3><a4>-9.476828370e-03</a4><a5>1.110746739e-05</a5><a6>-6.175558610e-09</a6><a7>1.336853512e-12</a7><b1>1.437822395e+05</b1><b2>-4.113512498e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>6.610658360e+05</a1><a2>-2.791498527e+03</a2><a3>9.131267640e+00</a3><a4>-5.063795290e-04</a4><a5>7.751213140e-08</a5><a6>-4.191132930e-12</a6><a7>2.687149095e-17</a7><b1>1.510734114e+05</b1><b2>-3.081426166e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>-9.547637920e+06</a1><a2>7.401763110e+03</a2><a3>4.866419360e+00</a3><a4>4.143886550e-04</a4><a5>-2.488064459e-08</a5><a6>6.972990680e-13</a6><a7>-7.714953540e-18</a7><b1>7.555300990e+04</b1><b2>3.822638009e+00</b2></T_range></specie><specie inp_file_name="HBr"><identification><InChIKey>CPELXLSAUQHCOX-UHFFFAOYSA-N</InChIKey><canonical_smiles>Br</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>bromane</IUPAC_name></identification><comment>Gurvich,1989 pt1 p205 pt2 p106.</comment><reference>tpis89</reference><elements><element H="1" /><element Br="1" /></elements><condensed>False</condensed><molecular_weight>0.08091194</molecular_weight><hf298.15>-36290.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>2.527222498e+04</a1><a2>-4.065110270e+02</a2><a3>6.043116610e+00</a3><a4>-7.717882870e-03</a4><a5>1.149123213e-05</a5><a6>-7.293633280e-09</a6><a7>1.747406491e-12</a7><b1>-3.510414550e+03</b1><b2>-9.903186290e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.170033949e+06</a1><a2>-3.786521010e+03</a2><a3>7.503148050e+00</a3><a4>-1.284963943e-03</a4><a5>3.206257190e-07</a5><a6>-3.444925160e-11</a6><a7>1.126758417e-15</a7><b1>1.856413349e+04</b1><b2>-2.562712911e+01</b2></T_range></specie><specie inp_file_name="HCN"><identification><InChIKey>LELOWRISYMNNSU-UHFFFAOYSA-N</InChIKey><canonical_smiles>C#N</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>formonitrile</IUPAC_name></identification><comment>Hf: East,1993. Gurvich,1991 pt1 p226.</comment><reference>g 6/01</reference><elements><element H="1" /><element C="1" /><element N="1" /></elements><condensed>False</condensed><molecular_weight>0.02702534</molecular_weight><hf298.15>133082.460</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>9.098286930e+04</a1><a2>-1.238657512e+03</a2><a3>8.721307870e+00</a3><a4>-6.528242940e-03</a4><a5>8.872700830e-06</a5><a6>-4.808886670e-09</a6><a7>9.317898500e-13</a7><b1>2.098915450e+04</b1><b2>-2.746678076e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.236889278e+06</a1><a2>-4.446732410e+03</a2><a3>9.738874850e+00</a3><a4>-5.855182640e-04</a4><a5>1.072791440e-07</a5><a6>-1.013313244e-11</a6><a7>3.348247980e-16</a7><b1>4.221513770e+04</b1><b2>-4.005774072e+01</b2></T_range></specie><specie inp_file_name="HCO"><identification><InChIKey>XPRMKTHGXOVKEH-UHFFFAOYSA-N</InChIKey><canonical_smiles>C#[O+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>methylidyneoxidanium</IUPAC_name></identification><comment>Hf:Terentis,1996. Jacox,1998 p146.</comment><reference>g 1/01</reference><elements><element H="1" /><element C="1" /><element O="1" /></elements><condensed>False</condensed><molecular_weight>0.02901804</molecular_weight><hf298.15>42397.850</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.189851887e+04</a1><a2>2.151536111e+02</a2><a3>2.730224028e+00</a3><a4>1.806516108e-03</a4><a5>4.984300570e-06</a5><a6>-5.814567920e-09</a6><a7>1.869689894e-12</a7><b1>2.905755640e+03</b1><b2>1.136772540e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>6.949606120e+05</a1><a2>-3.656223380e+03</a2><a3>9.604731170e+00</a3><a4>-1.117129278e-03</a4><a5>2.875328019e-07</a5><a6>-3.626247740e-11</a6><a7>1.808329595e-15</a7><b1>2.543704440e+04</b1><b2>-3.582473720e+01</b2></T_range></specie><specie inp_file_name="HCO+"><identification><InChIKey>XPRMKTHGXOVKEH-UHFFFAOYSA-N</InChIKey><canonical_smiles>C#[O+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>methylidyneoxidanium</IUPAC_name></identification><comment>Formyl ion. Hf:Chase,1998 p603 12/70. Jacox,1998 p145.</comment><reference>g 1/01</reference><elements><element H="1" /><element C="1" /><element O="1" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.0290174914</molecular_weight><hf298.15>833034.000</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>1.573442506e+05</a1><a2>-1.867692159e+03</a2><a3>1.099235423e+01</a3><a4>-1.211637888e-02</a4><a5>1.659091514e-05</a5><a6>-1.016592642e-08</a6><a7>2.391234771e-12</a7><b1>1.084930280e+05</b1><b2>-4.078261620e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.219060653e+06</a1><a2>-4.714294890e+03</a2><a3>1.021192493e+01</a3><a4>-8.854517070e-04</a4><a5>1.667408026e-07</a5><a6>-1.683285548e-11</a6><a7>7.040051780e-16</a7><b1>1.277989027e+05</b1><b2>-4.351158460e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>-4.593151930e+05</a1><a2>-1.132568857e+03</a2><a3>7.739065200e+00</a3><a4>-2.648464060e-05</a4><a5>1.613280824e-09</a5><a6>-5.113217500e-14</a6><a7>6.588027500e-19</a7><b1>1.032813937e+05</b1><b2>-2.458716820e+01</b2></T_range></specie><specie inp_file_name="HCCN"><identification><InChIKey>SZICEGNEOSKVLO-UHFFFAOYSA-N</InChIKey><canonical_smiles>[CH]C#N</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>acetonitrile</IUPAC_name></identification><comment>Gurvich,1989 pt1 p228 pt2 p216.</comment><reference>tpis89</reference><elements><element H="1" /><element C="2" /><element N="1" /></elements><condensed>False</condensed><molecular_weight>0.03903604</molecular_weight><hf298.15>610430.628</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>2.994114377e+03</a1><a2>-4.404660680e+02</a2><a3>6.940036410e+00</a3><a4>3.846304960e-03</a4><a5>-1.264728529e-06</a5><a6>-3.639235130e-10</a6><a7>2.748929104e-13</a7><b1>7.370878640e+04</b1><b2>-1.315302591e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>9.395620310e+05</a1><a2>-4.091067750e+03</a2><a3>1.272233302e+01</a3><a4>-6.874405310e-04</a4><a5>1.231169968e-07</a5><a6>-1.186956238e-11</a6><a7>4.760610350e-16</a7><b1>9.585164820e+04</b1><b2>-5.248695794e+01</b2></T_range></specie><specie inp_file_name="HCCO"><identification><InChIKey>QEJQAPYSVNHDJF-UHFFFAOYSA-N</InChIKey><canonical_smiles>C#C[O]</canonical_smiles><cas_number>51095-15-9</cas_number><IUPAC_name>$l^{1}-oxidanylethyne</IUPAC_name></identification><comment>Ketenyl rad. Osborn,1997. Szalay,1996. Jacox,1998 p156.</comment><reference>g 6/01</reference><elements><element H="1" /><element C="2" /><element O="1" /></elements><condensed>False</condensed><molecular_weight>0.04102874</molecular_weight><hf298.15>176568.100</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>6.959612700e+04</a1><a2>-1.164594402e+03</a2><a3>9.456616260e+00</a3><a4>-2.331240632e-03</a4><a5>5.161873600e-06</a5><a6>-3.526169970e-09</a6><a7>8.599143230e-13</a7><b1>2.535003992e+04</b1><b2>-2.726355351e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.093922002e+06</a1><a2>-4.498228210e+03</a2><a3>1.246446433e+01</a3><a4>-6.343317400e-04</a4><a5>1.108549019e-07</a5><a6>-1.125488678e-11</a6><a7>5.689151940e-16</a7><b1>4.652280300e+04</b1><b2>-5.099070430e+01</b2></T_range></specie><specie inp_file_name="HCl"><identification><InChIKey>VEXZGXHMUGYJMC-UHFFFAOYSA-N</InChIKey><canonical_smiles>Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>chlorane</IUPAC_name></identification><comment>Gurvich,1989 pt1 p186 pt2 p93.</comment><reference>tpis89</reference><elements><element H="1" /><element Cl="1" /></elements><condensed>False</condensed><molecular_weight>0.036460940000000004</molecular_weight><hf298.15>-92310.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>2.062588287e+04</a1><a2>-3.093368855e+02</a2><a3>5.275418850e+00</a3><a4>-4.828874220e-03</a4><a5>6.195794600e-06</a5><a6>-3.040023782e-09</a6><a7>4.916790030e-13</a7><b1>-1.067782299e+04</b1><b2>-7.309305408e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>9.157749510e+05</a1><a2>-2.770550211e+03</a2><a3>5.973539790e+00</a3><a4>-3.629810060e-04</a4><a5>4.735529190e-08</a5><a6>2.810262054e-12</a6><a7>-6.656104220e-16</a7><b1>5.674958050e+03</b1><b2>-1.642825822e+01</b2></T_range></specie><specie inp_file_name="HD"><identification><InChIKey>UFHFLCQGNIYNRP-OUBTZVSYSA-N</InChIKey><canonical_smiles>[HH]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>deuterium monohydride</IUPAC_name></identification><comment>Gurvich,1989 pt1 p144 pt2 p53.</comment><reference>tpis89</reference><elements><element H="1" /><element D="1" /></elements><condensed>False</condensed><molecular_weight>0.003022042</molecular_weight><hf298.15>323.302</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>2.519120338e+04</a1><a2>-2.761004999e+02</a2><a3>4.644441290e+00</a3><a4>-2.082376844e-03</a4><a5>1.418070803e-06</a5><a6>2.839893835e-10</a6><a7>-3.202331030e-13</a7><b1>3.913616430e+02</b1><b2>-9.395396120e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>8.455830000e+05</a1><a2>-1.956578537e+03</a2><a3>4.404373870e+00</a3><a4>5.751681090e-04</a4><a5>-2.131983152e-07</a5><a6>4.036126680e-11</a6><a7>-2.727170705e-15</a7><b1>1.227254163e+04</b1><b2>-1.084742878e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>4.829960940e+08</a1><a2>-3.077144916e+05</a2><a3>7.864816510e+01</a3><a4>-8.332990910e-03</a4><a5>4.732254110e-07</a5><a6>-1.372721571e-11</a6><a7>1.614120677e-16</a7><b1>2.431070386e+06</b1><b2>-6.569437060e+02</b2></T_range></specie><specie inp_file_name="HD+"><identification><InChIKey>UFHFLCQGNIYNRP-OUBTZVSYSA-N</InChIKey><canonical_smiles>[HH]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>deuterium monohydride</IUPAC_name></identification><comment>Chase,1998 p1034.</comment><reference>j 9/77</reference><elements><element H="1" /><element D="1" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.0030214934000000002</molecular_weight><hf298.15>1496792.618</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>-8.070073050e+04</a1><a2>8.796432580e+02</a2><a3>5.968932160e-02</a3><a4>5.418181010e-03</a4><a5>-2.021515155e-06</a5><a6>-4.945261650e-10</a6><a7>4.092935650e-13</a7><b1>1.744992497e+05</b1><b2>1.934281193e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.340083030e+06</a1><a2>-5.730069570e+03</a2><a3>1.213836576e+01</a3><a4>-5.243338120e-03</a4><a5>1.976302344e-06</a5><a6>-3.306573530e-10</a6><a7>1.937902763e-14</a7><b1>2.135348051e+05</b1><b2>-6.128758390e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>6.116880040e+06</a1><a2>-1.884939608e+04</a2><a3>1.741572175e+01</a3><a4>-2.495631471e-03</a4><a5>1.746560021e-07</a5><a6>-5.815870420e-12</a6><a7>7.638706130e-17</a7><b1>3.018292196e+05</b1><b2>-1.105093671e+02</b2></T_range></specie><specie inp_file_name="HDO"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1989 pt1 p145 pt2 p55.</comment><reference>g 5/99</reference><elements><element H="1" /><element D="1" /><element O="1" /></elements><condensed>False</condensed><molecular_weight>0.019021442</molecular_weight><hf298.15>-245280.477</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-2.737795356e+04</a1><a2>4.310503900e+02</a2><a3>1.558479899e+00</a3><a4>5.764969150e-03</a4><a5>-4.855129360e-06</a5><a6>3.382990170e-09</a6><a7>-1.040863879e-12</a7><b1>-3.273226450e+04</b1><b2>1.487751891e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.711376798e+06</a1><a2>-5.322872300e+03</a2><a3>9.124351520e+00</a3><a4>-3.400664150e-04</a4><a5>4.152343520e-08</a5><a6>-4.780768570e-14</a6><a7>-1.468035170e-16</a7><b1>3.245224680e+03</b1><b2>-3.774600680e+01</b2></T_range></specie><specie inp_file_name="HDO2"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1989 pt1 p146 pt2 p56.</comment><reference>g 5/99</reference><elements><element H="1" /><element D="1" /><element O="2" /></elements><condensed>False</condensed><molecular_weight>0.035020842</molecular_weight><hf298.15>-140241.635</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-3.216476650e+04</a1><a2>7.492334460e+02</a2><a3>-1.957676212e+00</a3><a4>2.412802791e-02</a4><a5>-2.915946684e-05</a5><a6>1.930016324e-08</a6><a7>-5.226986310e-12</a7><b1>-2.151059175e+04</b1><b2>3.672406740e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.313180619e+06</a1><a2>-5.175637120e+03</a2><a3>1.216490975e+01</a3><a4>-6.136699480e-04</a4><a5>1.227560176e-07</a5><a6>-1.079624939e-11</a6><a7>3.874013720e-16</a7><b1>1.303209670e+04</b1><b2>-5.085276870e+01</b2></T_range></specie><specie inp_file_name="HF"><identification><InChIKey>KRHYYFGTRYWZRS-UHFFFAOYSA-N</InChIKey><canonical_smiles>F</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>fluorane</IUPAC_name></identification><comment>Gurvich,1989 pt1 p162 pt2 p77.</comment><reference>tpis89</reference><elements><element H="1" /><element F="1" /></elements><condensed>False</condensed><molecular_weight>0.0200063432</molecular_weight><hf298.15>-273300.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-3.192098970e+03</a1><a2>5.986807720e+01</a2><a3>3.055113902e+00</a3><a4>1.684673783e-03</a4><a5>-3.287394830e-06</a5><a6>3.095923617e-09</a6><a7>-9.764691610e-13</a7><b1>-3.418443160e+04</b1><b2>3.294904120e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>7.257089040e+05</a1><a2>-1.484797741e+03</a2><a3>3.855527470e+00</a3><a4>7.138989850e-04</a4><a5>-2.106757333e-07</a5><a6>3.050092453e-11</a6><a7>-1.639495583e-15</a7><b1>-2.355456660e+04</b1><b2>-3.203856830e+00</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>1.764588423e+08</a1><a2>-8.789998060e+04</a2><a3>1.886524859e+01</a3><a4>-6.850866180e-04</a4><a5>-1.403468022e-08</a5><a6>1.503711045e-12</a6><a7>-2.717518148e-17</a7><b1>6.853573220e+05</b1><b2>-1.393231574e+02</b2></T_range></specie><specie inp_file_name="HI"><identification><InChIKey>XMBWDFGMSWQBCA-UHFFFAOYSA-N</InChIKey><canonical_smiles>I</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>iodane</IUPAC_name></identification><comment>Chase,1998 p1265.</comment><reference>j 9/61</reference><elements><element H="1" /><element I="1" /></elements><condensed>False</condensed><molecular_weight>0.12791241</molecular_weight><hf298.15>26359.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.872881730e+04</a1><a2>-3.431788840e+02</a2><a3>5.956712430e+00</a3><a4>-8.543439600e-03</a4><a5>1.454780274e-05</a5><a6>-1.049104164e-08</a6><a7>2.839734003e-12</a7><b1>3.682950720e+03</b1><b2>-8.149756090e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>4.724921450e+05</a1><a2>-1.923465741e+03</a2><a3>5.758048970e+00</a3><a4>-4.066266380e-04</a4><a5>9.474332050e-08</a5><a6>-1.033534431e-11</a6><a7>4.611614790e-16</a7><b1>1.394857037e+04</b1><b2>-1.182487652e+01</b2></T_range></specie><specie inp_file_name="HNC"><identification><InChIKey>QIUBLANJVAOHHY-UHFFFAOYSA-N</InChIKey><canonical_smiles>[C-]#[NH+]</canonical_smiles><cas_number>6914-07-4</cas_number><IUPAC_name>methanidylidyneazanium</IUPAC_name></identification><comment>Hf:Gurvich,1991 pt1 p227. Jacox,1998 p145.</comment><reference>g 6/01</reference><elements><element H="1" /><element N="1" /><element C="1" /></elements><condensed>False</condensed><molecular_weight>0.02702534</molecular_weight><hf298.15>194378.121</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>4.870620640e+04</a1><a2>-9.891456250e+02</a2><a3>9.722153890e+00</a3><a4>-1.113593916e-02</a4><a5>1.668862707e-05</a5><a6>-1.113940941e-08</a6><a7>2.893600868e-12</a7><b1>2.664679758e+04</b1><b2>-3.104826344e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.198791660e+06</a1><a2>-3.918941860e+03</a2><a3>9.118020090e+00</a3><a4>-3.417761100e-04</a4><a5>3.314809680e-08</a5><a6>-5.701574740e-13</a6><a7>-7.789455390e-17</a7><b1>4.658810300e+04</b1><b2>-3.468575882e+01</b2></T_range></specie><specie inp_file_name="HNCO"><identification><InChIKey>OWIKHYCFFJSOEH-UHFFFAOYSA-N</InChIKey><canonical_smiles>C(=N)=O</canonical_smiles><cas_number>75-13-8</cas_number><IUPAC_name>isocyanic acid</IUPAC_name></identification><comment>Hf:East,1993. Jacox,1998 p236.</comment><reference>g 7/00</reference><elements><element H="1" /><element N="1" /><element C="1" /><element O="1" /></elements><condensed>False</condensed><molecular_weight>0.04302474</molecular_weight><hf298.15>-118056.529</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>7.542460080e+04</a1><a2>-9.550937770e+02</a2><a3>6.725705870e+00</a3><a4>4.705687500e-03</a4><a5>-4.959475510e-06</a5><a6>3.694255120e-09</a6><a7>-1.164859121e-12</a7><b1>-1.068149742e+04</b1><b2>-1.365584762e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.253216926e+06</a1><a2>-5.021091540e+03</a2><a3>1.247789314e+01</a3><a4>-6.891655250e-04</a4><a5>1.097738448e-07</a5><a6>-9.306403800e-12</a6><a7>3.242606950e-16</a7><b1>1.453155559e+04</b1><b2>-5.306419819e+01</b2></T_range></specie><specie inp_file_name="HNO"><identification><InChIKey>ODUCDPQEXGNKDN-UHFFFAOYSA-N</InChIKey><canonical_smiles>N=O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>nitroxyl</IUPAC_name></identification><comment>Gurvich,1989 pt1 p362 pt2 p227. Jacox,1998 p151.</comment><reference>g10/01</reference><elements><element H="1" /><element N="1" /><element O="1" /></elements><condensed>False</condensed><molecular_weight>0.03101404</molecular_weight><hf298.15>102032.725</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-6.854764860e+04</a1><a2>9.551627200e+02</a2><a3>-6.000720210e-01</a3><a4>7.995176750e-03</a4><a5>-6.547079160e-07</a5><a6>-3.670513400e-09</a6><a7>1.783392519e-12</a7><b1>6.435351260e+03</b1><b2>3.048166179e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-5.795614980e+06</a1><a2>1.945457427e+04</a2><a3>-2.152568374e+01</a3><a4>1.797428992e-02</a4><a5>-4.976040670e-06</a5><a6>6.397924170e-10</a6><a7>-3.142619368e-14</a7><b1>-1.104192372e+05</b1><b2>1.818650338e+02</b2></T_range></specie><specie inp_file_name="HNO2"><identification><InChIKey>IOVCWXUNBOPUCH-UHFFFAOYSA-N</InChIKey><canonical_smiles>N(=O)O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>nitrous acid</IUPAC_name></identification><comment>Cis-trans. Gurvich,1989 pt1 p363 pt2 p228.</comment><reference>tpis89</reference><elements><element H="1" /><element N="1" /><element O="2" /></elements><condensed>False</condensed><molecular_weight>0.047013440000000004</molecular_weight><hf298.15>-78451.922</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>8.591985060e+03</a1><a2>1.203644046e+02</a2><a3>9.412979120e-01</a3><a4>1.942891839e-02</a4><a5>-2.253174194e-05</a5><a6>1.384587594e-08</a6><a7>-3.473550460e-12</a7><b1>-1.106337202e+04</b1><b2>2.073967331e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>8.787904130e+05</a1><a2>-3.990455030e+03</a2><a3>1.187349269e+01</a3><a4>-4.881900610e-04</a4><a5>7.133636790e-08</a5><a6>-5.376303340e-12</a6><a7>1.581778986e-16</a7><b1>1.246343241e+04</b1><b2>-4.608874688e+01</b2></T_range></specie><specie inp_file_name="HNO3"><identification><InChIKey>GRYLNZFGIOXLOG-UHFFFAOYSA-N</InChIKey><canonical_smiles>[N+](=O)(O)[O-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1989 pt1 p367 pt2 p231.</comment><reference>g 5/99</reference><elements><element H="1" /><element N="1" /><element O="3" /></elements><condensed>False</condensed><molecular_weight>0.06301284</molecular_weight><hf298.15>-133912.869</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>9.202869010e+03</a1><a2>1.093774496e+02</a2><a3>-4.521042450e-01</a3><a4>2.984914503e-02</a4><a5>-3.190635500e-05</a5><a6>1.720931528e-08</a6><a7>-3.782649830e-12</a7><b1>-1.764048507e+04</b1><b2>2.746644879e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-9.497809640e+04</a1><a2>-2.733024468e+03</a2><a3>1.449426995e+01</a3><a4>-7.821868050e-04</a4><a5>1.702693665e-07</a5><a6>-1.930543961e-11</a6><a7>8.870455120e-16</a7><b1>-4.882517780e+03</b1><b2>-5.928392985e+01</b2></T_range></specie><specie inp_file_name="HOCl"><identification><InChIKey>QWPPOHNGKGFGJK-UHFFFAOYSA-N</InChIKey><canonical_smiles>OCl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>hypochlorous acid</IUPAC_name></identification><comment>Hf:Gurvich,1989 pt1 p187. Jacox,1998 p155.</comment><reference>g 1/01</reference><elements><element H="1" /><element O="1" /><element Cl="1" /></elements><condensed>False</condensed><molecular_weight>0.05246034</molecular_weight><hf298.15>-75740.032</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-9.739307430e+03</a1><a2>3.547569520e+02</a2><a3>1.539514254e-01</a3><a4>1.617051795e-02</a4><a5>-2.179693631e-05</a5><a6>1.509103049e-08</a6><a7>-4.125383510e-12</a7><b1>-1.176323791e+04</b1><b2>2.473257759e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>8.530457810e+05</a1><a2>-2.847760552e+03</a2><a3>7.948329040e+00</a3><a4>-1.048782013e-04</a4><a5>-1.482405043e-08</a5><a6>4.591678270e-12</a6><a7>-3.060073987e-16</a7><b1>7.250964950e+03</b1><b2>-2.249831690e+01</b2></T_range></specie><specie inp_file_name="HOF"><identification><InChIKey>AQYSYJUIMQTRMV-UHFFFAOYSA-N</InChIKey><canonical_smiles>OF</canonical_smiles><cas_number>14034-79-8</cas_number><IUPAC_name>hypofluorous acid</IUPAC_name></identification><comment>Gurvich,1989 pt1 p171 pt2 p79.</comment><reference>tpis89</reference><elements><element H="1" /><element O="1" /><element F="1" /></elements><condensed>False</condensed><molecular_weight>0.036005743199999996</molecular_weight><hf298.15>-96898.221</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-3.696888300e+04</a1><a2>7.809006660e+02</a2><a3>-2.077685317e+00</a3><a4>2.038690173e-02</a4><a5>-2.586919999e-05</a5><a6>1.713797538e-08</a6><a7>-4.551281870e-12</a7><b1>-1.631720064e+04</b1><b2>3.645052500e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>8.812018230e+05</a1><a2>-3.120013169e+03</a2><a3>8.223710070e+00</a3><a4>-2.298036315e-04</a4><a5>1.459115709e-08</a5><a6>1.095883303e-12</a6><a7>-1.404445608e-16</a7><b1>6.300546710e+03</b1><b2>-2.590150427e+01</b2></T_range></specie><specie inp_file_name="HO2"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Hf:Hills,1984 & NASA data. Jacox,1998 p153.</comment><reference>g 4/02</reference><elements><element H="1" /><element O="2" /></elements><condensed>False</condensed><molecular_weight>0.03300674</molecular_weight><hf298.15>12020.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-7.598882540e+04</a1><a2>1.329383918e+03</a2><a3>-4.677388240e+00</a3><a4>2.508308202e-02</a4><a5>-3.006551588e-05</a5><a6>1.895600056e-08</a6><a7>-4.828567390e-12</a7><b1>0.000000000e+00</b1><b2>-5.873350960e+03</b2><b3>5.193602140e+01</b3></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.810669724e+06</a1><a2>4.963192030e+03</a2><a3>-1.039498992e+00</a3><a4>4.560148530e-03</a4><a5>-1.061859447e-06</a5><a6>1.144567878e-10</a6><a7>-4.763064160e-15</a7><b1>0.000000000e+00</b1><b2>-3.200817190e+04</b2><b3>4.066850920e+01</b3></T_range></specie><specie inp_file_name="HO2-"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>B3LYP. EA: Oakes, 1985.</comment><reference>g 5/02</reference><elements><element H="1" /><element O="2" /><element E="1" /></elements><condensed>False</condensed><molecular_weight>0.033007288600000004</molecular_weight><hf298.15>-97923.080</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>1.103839835e+05</a1><a2>-1.047963653e+03</a2><a3>6.360013990e+00</a3><a4>2.942520461e-03</a4><a5>-6.284141340e-06</a5><a6>5.438254240e-09</a6><a7>-1.647305820e-12</a7><b1>0.000000000e+00</b1><b2>-7.417741590e+03</b2><b3>-1.251878002e+01</b3></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>7.933306000e+05</a1><a2>-2.503312417e+03</a2><a3>7.548962330e+00</a3><a4>8.308390150e-05</a4><a5>-5.969730910e-08</a5><a6>9.955377000e-12</a6><a7>-5.606477280e-16</a7><b1>0.000000000e+00</b1><b2>2.512079084e+03</b2><b3>-2.070065846e+01</b3></T_range></specie><specie inp_file_name="HPO"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Hf:Gurvich,1989 pt1 p424. Jacox,1994 p46.</comment><reference>tpis89</reference><elements><element H="1" /><element P="1" /><element O="1" /></elements><condensed>False</condensed><molecular_weight>0.047981101000000005</molecular_weight><hf298.15>-56868.759</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-3.816314120e+04</a1><a2>7.927641870e+02</a2><a3>-1.889940652e+00</a3><a4>1.800907425e-02</a4><a5>-1.857631793e-05</a5><a6>1.018768867e-08</a6><a7>-2.355583619e-12</a7><b1>-1.157641240e+04</b1><b2>3.692925910e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>3.842459450e+05</a1><a2>-2.434951707e+03</a2><a3>8.582173920e+00</a3><a4>-4.058448570e-04</a4><a5>-1.669488740e-08</a5><a6>2.253640566e-11</a6><a7>-1.943063011e-15</a7><b1>5.761632120e+03</b1><b2>-2.649097544e+01</b2></T_range></specie><specie inp_file_name="HSO3F"><identification><InChIKey>UQSQSQZYBQSBJZ-UHFFFAOYSA-N</InChIKey><canonical_smiles>OS(=O)(=O)F</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>sulfurofluoridic acid</IUPAC_name></identification><comment>Chase,1998 p1057.</comment><reference>j 6/72</reference><elements><element H="1" /><element S="1" /><element O="3" /><element F="1" /></elements><condensed>False</condensed><molecular_weight>0.1000695432</molecular_weight><hf298.15>-753120.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>6.896242130e+03</a1><a2>-9.305810750e+01</a2><a3>1.570331788e+00</a3><a4>3.780820750e-02</a4><a5>-4.872720780e-05</a5><a6>3.160796011e-08</a6><a7>-8.189782930e-12</a7><b1>-9.180240820e+04</b1><b2>1.716315977e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>5.544047080e+05</a1><a2>-3.974424320e+03</a2><a3>1.778869264e+01</a3><a4>-4.409322030e-04</a4><a5>5.944411390e-08</a5><a6>-3.927015810e-12</a6><a7>8.891284000e-17</a7><b1>-7.153438270e+04</b1><b2>-7.613127849e+01</b2></T_range></specie><specie inp_file_name="H2"><identification><InChIKey>UFHFLCQGNIYNRP-UHFFFAOYSA-N</InChIKey><canonical_smiles>[HH]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>molecular hydrogen</IUPAC_name></identification><comment>Ref-Elm. Gurvich,1978 pt1 p103 pt2 p31.</comment><reference>tpis78</reference><elements><element H="2" /></elements><condensed>False</condensed><molecular_weight>0.0020158800000000003</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>4.078323210e+04</a1><a2>-8.009186040e+02</a2><a3>8.214702010e+00</a3><a4>-1.269714457e-02</a4><a5>1.753605076e-05</a5><a6>-1.202860270e-08</a6><a7>3.368093490e-12</a7><b1>2.682484665e+03</b1><b2>-3.043788844e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>5.608128010e+05</a1><a2>-8.371504740e+02</a2><a3>2.975364532e+00</a3><a4>1.252249124e-03</a4><a5>-3.740716190e-07</a5><a6>5.936625200e-11</a6><a7>-3.606994100e-15</a7><b1>5.339824410e+03</b1><b2>-2.202774769e+00</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>4.966884120e+08</a1><a2>-3.147547149e+05</a2><a3>7.984121880e+01</a3><a4>-8.414789210e-03</a4><a5>4.753248350e-07</a5><a6>-1.371873492e-11</a6><a7>1.605461756e-16</a7><b1>2.488433516e+06</b1><b2>-6.695728110e+02</b2></T_range></specie><specie inp_file_name="H2+"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1978 pt1 p107 pt2 p33.</comment><reference>tpis78</reference><elements><element H="2" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.0020153314</molecular_weight><hf298.15>1494672.430</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>-3.120886060e+04</a1><a2>2.304622909e+02</a2><a3>3.335564420e+00</a3><a4>-2.419056763e-03</a4><a5>7.006022340e-06</a5><a6>-5.610010660e-09</a6><a7>1.564169746e-12</a7><b1>1.774104638e+05</b1><b2>-8.278523760e-01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.672225964e+06</a1><a2>-6.595184990e+03</a2><a3>1.279321925e+01</a3><a4>-5.509345260e-03</a4><a5>2.030669412e-06</a5><a6>-3.351027480e-10</a6><a7>1.946089104e-14</a7><b1>2.189999548e+05</b1><b2>-6.792710780e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>-1.822070983e+08</a1><a2>1.018196269e+05</a2><a3>-1.245831898e+01</a3><a4>1.076647496e-03</a4><a5>-3.932290360e-08</a5><a6>6.285405030e-13</a6><a7>-2.094721880e-18</a7><b1>-6.513101500e+05</b1><b2>1.471415370e+02</b2></T_range></specie><specie inp_file_name="H2-"><identification><InChIKey>UFHFLCQGNIYNRP-UHFFFAOYSA-N</InChIKey><canonical_smiles>[HH]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>molecular hydrogen</IUPAC_name></identification><comment>Chase,1998 p1312.</comment><reference>j 9/77</reference><elements><element H="2" /><element E="1" /></elements><condensed>False</condensed><molecular_weight>0.0020164286</molecular_weight><hf298.15>235168.362</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>-9.753565670e+04</a1><a2>1.221166236e+03</a2><a3>-2.264588838e+00</a3><a4>1.237202227e-02</a4><a5>-1.127100020e-05</a5><a6>5.367239950e-09</a6><a7>-1.049420160e-12</a7><b1>2.121399948e+04</b1><b2>3.050556136e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>9.599275620e+04</a1><a2>-9.144682880e+02</a2><a3>5.149418810e+00</a3><a4>-1.016559478e-04</a4><a5>5.446919560e-08</a5><a6>-6.155174450e-12</a6><a7>2.822451181e-16</a7><b1>3.234105180e+04</b1><b2>-1.440780980e+01</b2></T_range></specie><specie inp_file_name="HBOH"><identification><InChIKey>QDPOHAYYMHVFMI-UHFFFAOYSA-N</InChIKey><canonical_smiles>[B].O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>boron;hydrate</IUPAC_name></identification><comment>Gurvich,1996a pt1 p44 pt2 p27.</comment><reference>g 9/98</reference><elements><element H="2" /><element B="1" /><element O="1" /></elements><condensed>False</condensed><molecular_weight>0.02882628</molecular_weight><hf298.15>-48724.364</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-6.159644190e+04</a1><a2>1.223483035e+03</a2><a3>-5.460370510e+00</a3><a4>3.555388680e-02</a4><a5>-4.675020140e-05</a5><a6>3.236008850e-08</a6><a7>-8.986053320e-12</a7><b1>-1.263659051e+04</b1><b2>5.422352290e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.534611049e+06</a1><a2>-5.753666430e+03</a2><a3>1.270893665e+01</a3><a4>-7.059628250e-04</a4><a5>1.027679375e-07</a5><a6>-7.670926740e-12</a6><a7>2.211854768e-16</a7><b1>2.779370419e+04</b1><b2>-5.608860080e+01</b2></T_range></specie><specie inp_file_name="HCHO,formaldehy"><identification><InChIKey>WSFSSNUMVMOOMR-UHFFFAOYSA-N</InChIKey><canonical_smiles>C=O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>formaldehyde</IUPAC_name></identification><comment>Hf:TRC(6/78) w-5300. Gurvich,1991 pt1 p62 pt2 p47.</comment><reference>g 5/01</reference><elements><element H="2" /><element C="1" /><element O="1" /></elements><condensed>False</condensed><molecular_weight>0.03002598</molecular_weight><hf298.15>-108580.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.173916343e+05</a1><a2>1.873628846e+03</a2><a3>-6.890288570e+00</a3><a4>2.641561665e-02</a4><a5>-2.186389299e-05</a5><a6>1.005693006e-08</a6><a7>-2.023476949e-12</a7><b1>-2.307351768e+04</b1><b2>6.420420550e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.700825405e+06</a1><a2>-7.620853840e+03</a2><a3>1.472447547e+01</a3><a4>-1.649111754e-03</a4><a5>3.292144720e-07</a5><a6>-3.495049770e-11</a6><a7>1.526135000e-15</a7><b1>3.146812947e+04</b1><b2>-7.386478500e+01</b2></T_range></specie><specie inp_file_name="HCOOH"><identification><InChIKey>BDAGIHXWWSANSR-UHFFFAOYSA-N</InChIKey><canonical_smiles>C(=O)O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>formic acid</IUPAC_name></identification><comment>Formic acid. Chao,1978.</comment><reference>g 6/01</reference><elements><element H="2" /><element C="1" /><element O="2" /></elements><condensed>False</condensed><molecular_weight>0.04602538</molecular_weight><hf298.15>-378570.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-2.906279097e+04</a1><a2>7.658378880e+02</a2><a3>-3.328414130e+00</a3><a4>2.817542991e-02</a4><a5>-2.370050804e-05</a5><a6>1.166063663e-08</a6><a7>-2.791373170e-12</a7><b1>-5.006443470e+04</b1><b2>4.387094230e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>4.872336450e+05</a1><a2>-7.632238080e+03</a2><a3>2.132788153e+01</a3><a4>-4.402546540e-03</a4><a5>1.102001695e-06</a5><a6>-1.364343517e-10</a6><a7>6.648429750e-15</a7><b1>-5.781431910e+03</b1><b2>-1.111790688e+02</b2></T_range></specie><specie inp_file_name="H2F2"><identification><InChIKey>CUPFNGOKRMWUOO-UHFFFAOYSA-N</InChIKey><canonical_smiles>F.F</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>fluorane</IUPAC_name></identification><comment>Gurvich,1989 v1 pt1 p164 pt2 p308.</comment><reference>tpis89</reference><elements><element H="2" /><element F="2" /></elements><condensed>False</condensed><molecular_weight>0.0400126864</molecular_weight><hf298.15>-569923.778</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>5.259214710e+04</a1><a2>-9.913544890e+02</a2><a3>1.043577115e+01</a3><a4>-2.407796033e-03</a4><a5>-6.376956160e-07</a5><a6>2.735784900e-09</a6><a7>-1.104348590e-12</a7><b1>-6.572460830e+04</b1><b2>-3.038432132e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.464995601e+06</a1><a2>-3.335074920e+03</a2><a3>9.187487040e+00</a3><a4>1.051127249e-03</a4><a5>-3.278605570e-07</a5><a6>4.456046230e-11</a6><a7>-2.281370136e-15</a7><b1>-4.825442090e+04</b1><b2>-2.639128168e+01</b2></T_range></specie><specie inp_file_name="H2O"><identification><InChIKey>XLYOFNOQVPJJNP-UHFFFAOYSA-N</InChIKey><canonical_smiles>O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>oxidane</IUPAC_name></identification><comment>Hf:Cox,1989. Woolley,1987. TRC(10/88) tuv25.</comment><reference>g 8/89</reference><elements><element H="2" /><element O="1" /></elements><condensed>False</condensed><molecular_weight>0.01801528</molecular_weight><hf298.15>-241826.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-3.947960830e+04</a1><a2>5.755731020e+02</a2><a3>9.317826530e-01</a3><a4>7.222712860e-03</a4><a5>-7.342557370e-06</a5><a6>4.955043490e-09</a6><a7>-1.336933246e-12</a7><b1>-3.303974310e+04</b1><b2>1.724205775e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.034972096e+06</a1><a2>-2.412698562e+03</a2><a3>4.646110780e+00</a3><a4>2.291998307e-03</a4><a5>-6.836830480e-07</a5><a6>9.426468930e-11</a6><a7>-4.822380530e-15</a7><b1>-1.384286509e+04</b1><b2>-7.978148510e+00</b2></T_range></specie><specie inp_file_name="H2O+"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1989 pt1 p125 pt2 p38.</comment><reference>tpis89</reference><elements><element H="2" /><element O="1" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.018014731399999998</molecular_weight><hf298.15>981601.766</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>-1.753892720e+03</a1><a2>2.249850054e+02</a2><a3>1.989400675e+00</a3><a4>6.117895160e-03</a4><a5>-7.095436640e-06</a5><a6>5.547659470e-09</a6><a7>-1.704344789e-12</a7><b1>1.159585952e+05</b1><b2>1.135409642e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>6.228714260e+05</a1><a2>-2.864257487e+03</a2><a3>7.717565560e+00</a3><a4>-9.027801670e-04</a4><a5>6.177436860e-07</a5><a6>-1.201457479e-10</a6><a7>7.407709940e-15</a7><b1>1.342086651e+05</b1><b2>-2.636617920e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>-2.040922112e+07</a1><a2>-1.072691716e+03</a2><a3>1.131977392e+01</a3><a4>-7.364445000e-04</a4><a5>5.416450200e-08</a5><a6>-1.900872342e-12</a6><a7>2.604761558e-17</a7><b1>1.042565942e+05</b1><b2>-5.467272320e+01</b2></T_range></specie><specie inp_file_name="H2O2"><identification><InChIKey>MHAJPDPJQMAIIY-UHFFFAOYSA-N</InChIKey><canonical_smiles>OO</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>hydrogen peroxide</IUPAC_name></identification><comment>Hf:Gurvich,1989 pt1 p127. Gurvich,1978 pt1 p121.</comment><reference>g 6/99</reference><elements><element H="2" /><element O="2" /></elements><condensed>False</condensed><molecular_weight>0.03401468</molecular_weight><hf298.15>-135880.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-9.279533580e+04</a1><a2>1.564748385e+03</a2><a3>-5.976460140e+00</a3><a4>3.270744520e-02</a4><a5>-3.932193260e-05</a5><a6>2.509255235e-08</a6><a7>-6.465045290e-12</a7><b1>-2.494004728e+04</b1><b2>5.877174180e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.489428027e+06</a1><a2>-5.170821780e+03</a2><a3>1.128204970e+01</a3><a4>-8.042397790e-05</a4><a5>-1.818383769e-08</a5><a6>6.947265590e-12</a6><a7>-4.827831900e-16</a7><b1>1.418251038e+04</b1><b2>-4.650855660e+01</b2></T_range></specie><specie inp_file_name="H2S"><identification><InChIKey>RWSOTUBLDIXVET-UHFFFAOYSA-N</InChIKey><canonical_smiles>S</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>sulfane</IUPAC_name></identification><comment>Gurvich,1989 pt1 p298 pt2 p181.</comment><reference>g 4/01</reference><elements><element H="2" /><element S="1" /></elements><condensed>False</condensed><molecular_weight>0.03408088</molecular_weight><hf298.15>-20600.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>9.543808810e+03</a1><a2>-6.875175080e+01</a2><a3>4.054921960e+00</a3><a4>-3.014557336e-04</a4><a5>3.768497750e-06</a5><a6>-2.239358925e-09</a6><a7>3.086859108e-13</a7><b1>-3.278457280e+03</b1><b2>1.415194691e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.430040220e+06</a1><a2>-5.284028650e+03</a2><a3>1.016182124e+01</a3><a4>-9.703849960e-04</a4><a5>2.154003405e-07</a5><a6>-2.169695700e-11</a6><a7>9.318163070e-16</a7><b1>2.908696214e+04</b1><b2>-4.349160391e+01</b2></T_range></specie><specie inp_file_name="H2SO4"><identification><InChIKey>QAOWNCQODCNURD-UHFFFAOYSA-N</InChIKey><canonical_smiles>OS(=O)(=O)O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>sulfuric acid</IUPAC_name></identification><comment>Gurvich,1989 pt1 p300 pt2 p182.</comment><reference>tpis89</reference><elements><element H="2" /><element S="1" /><element O="4" /></elements><condensed>False</condensed><molecular_weight>0.09807848</molecular_weight><hf298.15>-732731.721</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-4.129150050e+04</a1><a2>6.681589890e+02</a2><a3>-2.632753507e+00</a3><a4>5.415382480e-02</a4><a5>-7.067502230e-05</a5><a6>4.684611420e-08</a6><a7>-1.236791238e-11</a7><b1>-9.315660120e+04</b1><b2>3.961096201e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.437877914e+06</a1><a2>-6.614902530e+03</a2><a3>2.157662058e+01</a3><a4>-4.806255970e-04</a4><a5>3.010775121e-08</a5><a6>2.334842469e-12</a6><a7>-2.946330375e-16</a7><b1>-5.259092950e+04</b1><b2>-1.023603724e+02</b2></T_range></specie><specie inp_file_name="H2BOH"><identification><InChIKey>UYANAUSDHIFLFQ-UHFFFAOYSA-N</InChIKey><canonical_smiles>BO</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>borinic acid</IUPAC_name></identification><comment>Gurvich,1996a pt1 p46 pt2 p29.</comment><reference>tpis96</reference><elements><element H="3" /><element B="1" /><element O="1" /></elements><condensed>False</condensed><molecular_weight>0.029834219999999998</molecular_weight><hf298.15>-289633.898</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-8.686766780e+04</a1><a2>1.820335089e+03</a2><a3>-1.032373881e+01</a3><a4>4.922801060e-02</a4><a5>-5.978619910e-05</a5><a6>3.946062730e-08</a6><a7>-1.068442257e-11</a7><b1>-4.415238150e+04</b1><b2>7.986177290e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>2.294795193e+06</a1><a2>-9.382923560e+03</a2><a3>1.798228329e+01</a3><a4>-1.506116214e-03</a4><a5>2.635641095e-07</a5><a6>-2.483163637e-11</a6><a7>9.736759120e-16</a7><b1>2.039738953e+04</b1><b2>-9.448201210e+01</b2></T_range></specie><specie inp_file_name="HB(OH)2"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1996a pt1 p47 pt2 p30.</comment><reference>tpis96</reference><elements><element H="3" /><element B="1" /><element O="2" /></elements><condensed>False</condensed><molecular_weight>0.045833620000000005</molecular_weight><hf298.15>-644438.724</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-2.067044022e+04</a1><a2>9.534459160e+02</a2><a3>-8.088956520e+00</a3><a4>5.972425290e-02</a4><a5>-8.071336320e-05</a5><a6>5.612118350e-08</a6><a7>-1.553607566e-11</a7><b1>-8.264270810e+04</b1><b2>6.539571640e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>2.122674609e+06</a1><a2>-8.615948940e+03</a2><a3>1.966179520e+01</a3><a4>-8.148411500e-04</a4><a5>8.955082040e-08</a5><a6>-3.344830510e-12</a6><a7>-6.919578140e-17</a7><b1>-2.788790377e+04</b1><b2>-9.983559610e+01</b2></T_range></specie><specie inp_file_name="H3BO3"><identification><InChIKey>KGBXLFKZBHKPEV-UHFFFAOYSA-N</InChIKey><canonical_smiles>B(O)(O)O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>boric acid</IUPAC_name></identification><comment>Gurvich,1996a pt1 p50 pt2 p32.</comment><reference>tpis96</reference><elements><element H="3" /><element B="1" /><element O="3" /></elements><condensed>False</condensed><molecular_weight>0.061833019999999995</molecular_weight><hf298.15>-1004360.442</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>2.568901843e+04</a1><a2>1.138029495e+02</a2><a3>-4.045096580e+00</a3><a4>5.924521680e-02</a4><a5>-8.148028410e-05</a5><a6>5.658593290e-08</a6><a7>-1.549277050e-11</a7><b1>-1.221702050e+05</b1><b2>4.132220140e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>2.297369132e+06</a1><a2>-8.933571790e+03</a2><a3>2.193496552e+01</a3><a4>-3.094783490e-04</a4><a5>-5.064052990e-08</a5><a6>1.482296684e-11</a6><a7>-9.764420900e-16</a7><b1>-6.970298470e+04</b1><b2>-1.122292829e+02</b2></T_range></specie><specie inp_file_name="H3B3O3"><identification><InChIKey>BRTALTYTFFNPAC-UHFFFAOYSA-N</InChIKey><canonical_smiles>B1OBOBO1</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>1,3,5,2,4,6-trioxatriborinane</IUPAC_name></identification><comment>Gurvich,1996a pt1 p53 pt2 p34.</comment><reference>tpis96</reference><elements><element H="3" /><element B="3" /><element O="3" /></elements><condensed>False</condensed><molecular_weight>0.08345502</molecular_weight><hf298.15>-1203760.987</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.985284188e+05</a1><a2>4.104132090e+03</a2><a3>-2.827215617e+01</a3><a4>1.269639253e-01</a4><a5>-1.558505781e-04</a5><a6>9.966304070e-08</a6><a7>-2.603677650e-11</a7><b1>-1.648494375e+05</b1><b2>1.763917407e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.286220713e+06</a1><a2>-1.093258784e+04</a2><a3>3.213518670e+01</a3><a4>-2.595402269e-03</a4><a5>5.353766470e-07</a5><a6>-5.833567380e-11</a6><a7>2.600757913e-15</a7><b1>-8.752856890e+04</b1><b2>-1.770847815e+02</b2></T_range></specie><specie inp_file_name="H3B3O6"><identification><InChIKey>AIUDKCYIGXXGIL-UHFFFAOYSA-N</InChIKey><canonical_smiles>B1(OB(OB(O1)O)O)O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>2,4,6-trihydroxy-1,3,5,2,4,6-trioxatriborinane</IUPAC_name></identification><comment>Gurvich,1996a pt1 p55 pt2 p35.</comment><reference>tpis96</reference><elements><element H="3" /><element B="3" /><element O="6" /></elements><condensed>False</condensed><molecular_weight>0.13145321999999998</molecular_weight><hf298.15>-2263687.611</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-2.067031503e+04</a1><a2>7.083391540e+02</a2><a3>-7.123820950e+00</a3><a4>1.025049979e-01</a4><a5>-1.295004602e-04</a5><a6>8.322737590e-08</a6><a7>-2.145746724e-11</a7><b1>-2.778049216e+05</b1><b2>6.063597630e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.952433352e+06</a1><a2>-1.154932896e+04</a2><a3>3.892676110e+01</a3><a4>-1.113852280e-03</a4><a5>1.280317726e-07</a5><a6>-5.728464820e-12</a6><a7>-2.214529572e-17</a7><b1>-2.120927136e+05</b1><b2>-2.075566801e+02</b2></T_range></specie><specie inp_file_name="H3F3"><identification><InChIKey>ACSQSQMTEKFKDX-UHFFFAOYSA-N</InChIKey><canonical_smiles>F.F.F</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>fluorane</IUPAC_name></identification><comment>Gurvich,1989 pt1 p166 pt2 p309.</comment><reference>tpis89</reference><elements><element H="3" /><element F="3" /></elements><condensed>False</condensed><molecular_weight>0.0600190296</molecular_weight><hf298.15>-883676.790</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>9.888562650e+04</a1><a2>-1.380212880e+03</a2><a3>8.980458470e+00</a3><a4>1.871609057e-02</a4><a5>-3.127862508e-05</a5><a6>2.589436165e-08</a6><a7>-8.040372270e-12</a7><b1>-1.013661491e+05</b1><b2>-2.585302557e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>2.515790373e+06</a1><a2>-8.789423320e+03</a2><a3>2.023933445e+01</a3><a4>-1.131704646e-03</a4><a5>1.692779921e-07</a5><a6>-1.308662105e-11</a6><a7>3.978322000e-16</a7><b1>-5.471713650e+04</b1><b2>-9.907787640e+01</b2></T_range></specie><specie inp_file_name="H3O+"><identification><InChIKey>XLYOFNOQVPJJNP-UHFFFAOYSA-O</InChIKey><canonical_smiles>[OH3+]</canonical_smiles><cas_number>13968-08-6</cas_number><IUPAC_name>oxidanium</IUPAC_name></identification><comment>Gurvich,1989 pt1 p130 pt2 p41.</comment><reference>tpis89</reference><elements><element H="3" /><element O="1" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.0190226714</molecular_weight><hf298.15>598000.000</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>-6.447640150e+04</a1><a2>1.181817922e+03</a2><a3>-3.801893060e+00</a3><a4>2.220628313e-02</a4><a5>-2.445343237e-05</a5><a6>1.573297747e-08</a6><a7>-4.158836410e-12</a7><b1>6.530613320e+04</b1><b2>4.282723130e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>2.955126200e+06</a1><a2>-9.185669410e+03</a2><a3>1.341398696e+01</a3><a4>-5.590339210e-04</a4><a5>1.138387119e-08</a5><a6>7.259927210e-12</a6><a7>-6.133734360e-16</a7><b1>1.290534257e+05</b1><b2>-7.021828180e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>-1.591228592e+07</a1><a2>4.898727210e+03</a2><a3>8.881336820e+00</a3><a4>1.299244015e-04</a4><a5>-8.169245590e-09</a5><a6>2.649115685e-13</a6><a7>-3.472865280e-18</a7><b1>2.090178405e+04</b1><b2>-3.217683350e+01</b2></T_range></specie><specie inp_file_name="(HCOOH)2"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Formic acid dimer. Chao,1978.</comment><reference>g 6/01</reference><elements><element H="4" /><element C="2" /><element O="4" /></elements><condensed>False</condensed><molecular_weight>0.09205076</molecular_weight><hf298.15>-820942.640</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-2.001447991e+05</a1><a2>3.502457370e+03</a2><a3>-1.853488051e+01</a3><a4>9.547467130e-02</a4><a5>-1.059184484e-04</a5><a6>6.323086900e-08</a6><a7>-1.567561216e-11</a7><b1>-1.172621688e+05</b1><b2>1.319646887e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>3.308188420e+06</a1><a2>-1.633668256e+04</a2><a3>3.751348820e+01</a3><a4>-3.148108995e-03</a4><a5>6.008707760e-07</a5><a6>-6.144462500e-11</a6><a7>2.600562474e-15</a7><b1>-6.265894440e+03</b1><b2>-2.107476941e+02</b2></T_range></specie><specie inp_file_name="H4F4"><identification><InChIKey>XIQPNCZCDTUCTM-UHFFFAOYSA-N</InChIKey><canonical_smiles>F.F.F.F</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>fluorane</IUPAC_name></identification><comment>Gurvich,1989 pt1 p167 pt2 p310.</comment><reference>tpis89</reference><elements><element H="4" /><element F="4" /></elements><condensed>False</condensed><molecular_weight>0.0800253728</molecular_weight><hf298.15>-1186932.336</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.315109024e+05</a1><a2>-1.840361560e+03</a2><a3>1.264093152e+01</a3><a4>2.495407360e-02</a4><a5>-4.170394610e-05</a5><a6>3.452523840e-08</a6><a7>-1.072034360e-11</a7><b1>-1.364003454e+05</b1><b2>-4.122913530e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>3.354037990e+06</a1><a2>-1.171922040e+04</a2><a3>2.765243565e+01</a3><a4>-1.508934621e-03</a4><a5>2.257027572e-07</a5><a6>-1.744867255e-11</a6><a7>5.304351740e-16</a7><b1>-7.420213160e+04</b1><b2>-1.388603332e+02</b2></T_range></specie><specie inp_file_name="H5F5"><identification><InChIKey>PPTLZWDQFVTCOG-UHFFFAOYSA-N</InChIKey><canonical_smiles>F.F.F.F.F</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>fluorane</IUPAC_name></identification><comment>Gurvich,1989 pt1 p168 pt2 p311.</comment><reference>tpis89</reference><elements><element H="5" /><element F="5" /></elements><condensed>False</condensed><molecular_weight>0.100031716</molecular_weight><hf298.15>-1490187.882</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.641361897e+05</a1><a2>-2.300510396e+03</a2><a3>1.630140545e+01</a3><a4>3.119205422e-02</a4><a5>-5.212926350e-05</a5><a6>4.315611240e-08</a6><a7>-1.340031413e-11</a7><b1>-1.714345408e+05</b1><b2>-5.682157380e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>4.192290730e+06</a1><a2>-1.464903043e+04</a2><a3>3.506554920e+01</a3><a4>-1.886170471e-03</a4><a5>2.821289954e-07</a5><a6>-2.181090984e-11</a6><a7>6.630474160e-16</a7><b1>-9.368704200e+04</b1><b2>-1.788592044e+02</b2></T_range></specie><specie inp_file_name="H6F6"><identification><InChIKey>CGGPGIDRFIEDLL-UHFFFAOYSA-N</InChIKey><canonical_smiles>F.F.F.F.F.F</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>fluorane</IUPAC_name></identification><comment>Gurvich,1989 pt1 p169 pt2 p312.</comment><reference>tpis89</reference><elements><element H="6" /><element F="6" /></elements><condensed>False</condensed><molecular_weight>0.1200380592</molecular_weight><hf298.15>-1805545.131</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.956886618e+05</a1><a2>-2.753909880e+03</a2><a3>1.975625055e+01</a3><a4>3.807717010e-02</a4><a5>-6.341218880e-05</a5><a6>5.219233290e-08</a6><a7>-1.612185649e-11</a7><b1>-2.079269410e+05</b1><b2>-7.113607980e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>5.024520320e+06</a1><a2>-1.742817868e+04</a2><a3>4.214870500e+01</a3><a4>-2.084564791e-03</a4><a5>2.930051519e-07</a5><a6>-2.052079159e-11</a6><a7>5.206937300e-16</a7><b1>-1.154497653e+05</b1><b2>-2.163947001e+02</b2></T_range></specie><specie inp_file_name="H7F7"><identification><InChIKey>HKCCZYKCEQAFNJ-UHFFFAOYSA-N</InChIKey><canonical_smiles>F.F.F.F.F.F.F</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>fluorane</IUPAC_name></identification><comment>Gurvich,1989 pt1 p170 pt2 p313.</comment><reference>tpis89</reference><elements><element H="7" /><element F="7" /></elements><condensed>False</condensed><molecular_weight>0.1400444024</molecular_weight><hf298.15>-2099698.974</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>2.293867477e+05</a1><a2>-3.220807860e+03</a2><a3>2.362235212e+01</a3><a4>4.366801880e-02</a4><a5>-7.297990340e-05</a5><a6>6.041786420e-08</a6><a7>-1.876025627e-11</a7><b1>-2.418637479e+05</b1><b2>-8.838812260e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>5.868789830e+06</a1><a2>-2.050863473e+04</a2><a3>4.989176110e+01</a3><a4>-2.640634895e-03</a4><a5>3.949796330e-07</a5><a6>-3.053515088e-11</a6><a7>9.282601780e-16</a7><b1>-1.330177809e+05</b1><b2>-2.592385142e+02</b2></T_range></specie><specie inp_file_name="He"><identification><InChIKey>SWQJXJOGLNCZEY-UHFFFAOYSA-N</InChIKey><canonical_smiles>[He]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>helium</IUPAC_name></identification><comment>Ref-Elm. Moore,1971. Moore,1970a. Gordon,1999.</comment><reference>g 5/97</reference><elements><element He="1" /></elements><condensed>False</condensed><molecular_weight>0.004002602</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.500000000e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-7.453750000e+02</b1><b2>9.287239740e-01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.500000000e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-7.453750000e+02</b1><b2>9.287239740e-01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>3.396845420e+06</a1><a2>-2.194037652e+03</a2><a3>3.080231878e+00</a3><a4>-8.068957550e-05</a4><a5>6.252784910e-09</a5><a6>-2.574990067e-13</a6><a7>4.429960218e-18</a7><b1>1.650518960e+04</b1><b2>-4.048814390e+00</b2></T_range></specie><specie inp_file_name="He+"><identification><InChIKey>SWQJXJOGLNCZEY-UHFFFAOYSA-N</InChIKey><canonical_smiles>[He]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>helium</IUPAC_name></identification><comment>Moore,1971; Moore,1970a. 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Johansson,1967. Moore,1971. Gordon,1999.</comment><reference>g 1/99</reference><elements><element In="1" /></elements><condensed>False</condensed><molecular_weight>0.114818</molecular_weight><hf298.15>240700.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>5.149518050e+04</a1><a2>-9.177999020e+02</a2><a3>8.938687950e+00</a3><a4>-2.224112602e-02</a4><a5>3.823881940e-05</a5><a6>-2.890116948e-08</a6><a7>8.047481221e-12</a7><b1>3.239031620e+04</b1><b2>-2.764567028e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.683608899e+06</a1><a2>2.210473186e+03</a2><a3>3.472219370e+00</a3><a4>-1.082267422e-03</a4><a5>3.479699980e-07</a5><a6>-5.158092410e-11</a6><a7>3.183043089e-15</a7><b1>1.095965206e+04</b1><b2>2.557189088e+00</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>-2.289146601e+06</a1><a2>3.908691060e+04</a2><a3>-1.789204885e+01</a3><a4>3.655375250e-03</a4><a5>-2.576493626e-07</a5><a6>7.929188320e-12</a6><a7>-9.066642170e-17</a7><b1>-2.376257502e+05</b1><b2>1.738048645e+02</b2></T_range></specie><specie inp_file_name="In+"><identification><InChIKey>APFVFJFRJDLVQX-UHFFFAOYSA-N</InChIKey><canonical_smiles>[In]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>indium</IUPAC_name></identification><comment>IP:Johansson,1967. 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Gordon,1999.</comment><reference>g 4/99</reference><elements><element In="1" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.11481745139999999</molecular_weight><hf298.15>6996.425</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>2.150488908e-01</a1><a2>-2.523854672e-03</a2><a3>2.500011877e+00</a3><a4>-2.869063919e-08</a4><a5>3.753870400e-11</a5><a6>-2.525942419e-14</a6><a7>6.842932660e-18</a7><b1>9.610930170e+01</b1><b2>5.963254400e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>4.536995140e+04</a1><a2>-1.445142103e+02</a2><a3>2.681812441e+00</a3><a4>-1.157480060e-04</a4><a5>3.947714810e-08</a5><a6>-6.879243620e-12</a6><a7>4.819204920e-16</a7><b1>1.004261440e+03</b1><b2>4.683759180e+00</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>-6.188028020e+07</a1><a2>1.322640301e+04</a2><a3>7.453303840e+00</a3><a4>-1.893250634e-03</a4><a5>2.114636410e-07</a5><a6>-8.432019810e-12</a6><a7>1.185570972e-16</a7><b1>-1.335858982e+05</b1><b2>-2.765870435e+01</b2></T_range></specie><specie inp_file_name="InBr"><identification><InChIKey>KLRHPHDUDFIRKB-UHFFFAOYSA-M</InChIKey><canonical_smiles>Br[In]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>bromoindium</IUPAC_name></identification><comment>Gurvich,1996a pt1 p291 pt2 p233</comment><reference>tpis96</reference><elements><element In="1" /><element Br="1" /></elements><condensed>False</condensed><molecular_weight>0.194722</molecular_weight><hf298.15>-54115.879</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-2.540851435e+03</a1><a2>-5.294704710e+01</a2><a3>4.717438090e+00</a3><a4>-4.344669490e-04</a4><a5>6.513513640e-07</a5><a6>-4.403995150e-10</a6><a7>1.234046209e-13</a7><b1>-7.607594280e+03</b1><b2>4.258881000e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>7.948374420e+05</a1><a2>-2.318183711e+03</a2><a3>7.032889580e+00</a3><a4>-1.245920568e-03</a4><a5>3.276693350e-07</a5><a6>-3.003771106e-11</a6><a7>5.853192770e-16</a7><b1>6.957627290e+03</b1><b2>-1.273502660e+01</b2></T_range></specie><specie inp_file_name="InBr2"><identification><InChIKey>WKKNZNVQEXCHAK-UHFFFAOYSA-L</InChIKey><canonical_smiles>Br[In]Br</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dibromoindium</IUPAC_name></identification><comment>Gurvich,1996a pt1 p292 pt2 p234.</comment><reference>tpis96</reference><elements><element In="1" /><element Br="2" /></elements><condensed>False</condensed><molecular_weight>0.274626</molecular_weight><hf298.15>-149729.059</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-6.619878900e+01</a1><a2>-2.365897310e+02</a2><a3>7.926545160e+00</a3><a4>-1.994547959e-03</a4><a5>2.420414153e-06</a5><a6>-1.548924922e-09</a6><a7>4.058148390e-13</a7><b1>-1.895355588e+04</b1><b2>-5.338867540e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-3.217162030e+05</a1><a2>4.792682100e+02</a2><a3>7.102649480e+00</a3><a4>-5.514019780e-04</a4><a5>3.157862421e-07</a5><a6>-5.511254510e-11</a6><a7>3.172161390e-15</a7><b1>-2.370923659e+04</b1><b2>1.193263347e-01</b2></T_range></specie><specie inp_file_name="InBr3"><identification><InChIKey>JKNHZOAONLKYQL-UHFFFAOYSA-K</InChIKey><canonical_smiles>Br[In](Br)Br</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>tribromoindigane</IUPAC_name></identification><comment>Gurvich,1996a pt1 p292 pt2 p236.</comment><reference>tpis96</reference><elements><element In="1" /><element Br="3" /></elements><condensed>False</condensed><molecular_weight>0.35452999999999996</molecular_weight><hf298.15>-256587.267</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-4.990115300e+03</a1><a2>-2.805930452e+02</a2><a3>1.110356060e+01</a3><a4>-2.379995808e-03</a4><a5>2.887825281e-06</a5><a6>-1.844500707e-09</a6><a7>4.814395870e-13</a7><b1>-3.250504910e+04</b1><b2>-1.871748987e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-3.505783100e+04</a1><a2>-4.858721320e+00</a2><a3>1.000406131e+01</a3><a4>-1.767620958e-06</a4><a5>4.164016060e-10</a5><a6>-5.015528870e-14</a6><a7>2.415414123e-18</a7><b1>-3.393179240e+04</b1><b2>-1.229069868e+01</b2></T_range></specie><specie inp_file_name="InCl"><identification><InChIKey>APHGZSBLRQFRCA-UHFFFAOYSA-M</InChIKey><canonical_smiles>Cl[In]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>chloroindium</IUPAC_name></identification><comment>Gurvich,1996a pt1 p281 pt2 p225</comment><reference>tpis96</reference><elements><element In="1" /><element Cl="1" /></elements><condensed>False</condensed><molecular_weight>0.150271</molecular_weight><hf298.15>-72147.883</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>6.430713030e+03</a1><a2>-2.178267726e+02</a2><a3>5.418830900e+00</a3><a4>-2.048005100e-03</a4><a5>2.702295936e-06</a5><a6>-1.795319798e-09</a6><a7>4.847469090e-13</a7><b1>-8.959841070e+03</b1><b2>-1.202999253e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.745751636e+05</a1><a2>8.940986910e+02</a2><a3>3.268118390e+00</a3><a4>9.180277780e-04</a4><a5>-3.083262431e-07</a5><a6>5.745458810e-11</a6><a7>-3.645275750e-15</a7><b1>-1.561603430e+04</b1><b2>1.266880374e+01</b2></T_range></specie><specie inp_file_name="InCl2"><identification><InChIKey>VOWMQUBVXQZOCU-UHFFFAOYSA-L</InChIKey><canonical_smiles>Cl[In]Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dichloroindium</IUPAC_name></identification><comment>Gurvich,1996a pt1 p283 pt2 p226.</comment><reference>tpis96</reference><elements><element In="1" /><element Cl="2" /></elements><condensed>False</condensed><molecular_weight>0.185724</molecular_weight><hf298.15>-201483.416</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>9.935164870e+03</a1><a2>-4.172101860e+02</a2><a3>8.588494910e+00</a3><a4>-3.348385610e-03</a4><a5>3.997866640e-06</a5><a6>-2.525301853e-09</a6><a7>6.544490330e-13</a7><b1>-2.426480269e+04</b1><b2>-1.164521725e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-3.328719840e+05</a1><a2>4.757691610e+02</a2><a3>7.105443690e+00</a3><a4>-5.525786960e-04</a4><a5>3.160567738e-07</a5><a6>-5.514453680e-11</a6><a7>3.173680380e-15</a7><b1>-2.995095917e+04</b1><b2>-2.294555511e+00</b2></T_range></specie><specie inp_file_name="InCl3"><identification><InChIKey>PSCMQHVBLHHWTO-UHFFFAOYSA-K</InChIKey><canonical_smiles>Cl[In](Cl)Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>trichloroindigane</IUPAC_name></identification><comment>Gurvich,1996a pt1 p286 pt2 p228.</comment><reference>tpis96</reference><elements><element In="1" /><element Cl="3" /></elements><condensed>False</condensed><molecular_weight>0.22117699999999998</molecular_weight><hf298.15>-369693.227</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>2.614743044e+04</a1><a2>-8.414604560e+02</a2><a3>1.311784790e+01</a3><a4>-6.435282470e-03</a4><a5>7.554874750e-06</a5><a6>-4.705078560e-09</a6><a7>1.204213663e-12</a7><b1>-4.326469580e+04</b1><b2>-3.500080940e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-7.114043630e+04</a1><a2>-1.628425068e+01</a2><a3>1.001309622e+01</a3><a4>-5.544528880e-06</a4><a5>1.279877732e-09</a5><a6>-1.518261505e-13</a6><a7>7.226562770e-18</a7><b1>-4.758974170e+04</b1><b2>-1.669761011e+01</b2></T_range></specie><specie inp_file_name="InF"><identification><InChIKey>XGDBOJRURXXJBF-UHFFFAOYSA-M</InChIKey><canonical_smiles>F[In]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>fluoroindium</IUPAC_name></identification><comment>Gurvich,1996a pt1 p272 pt2 p217.</comment><reference>tpis96</reference><elements><element In="1" /><element F="1" /></elements><condensed>False</condensed><molecular_weight>0.1338164032</molecular_weight><hf298.15>-193419.989</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>3.190123320e+04</a1><a2>-5.295254260e+02</a2><a3>6.172886260e+00</a3><a4>-2.986035832e-03</a4><a5>3.233778030e-06</a5><a6>-1.856975575e-09</a6><a7>4.465024970e-13</a7><b1>-2.187176282e+04</b1><b2>-7.591216620e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-4.689001200e+05</a1><a2>1.321019051e+03</a2><a3>2.881329353e+00</a3><a4>1.041591078e-03</a4><a5>-3.090754867e-07</a5><a6>4.926646560e-11</a6><a7>-2.699156425e-15</a7><b1>-3.308369810e+04</b1><b2>1.396688303e+01</b2></T_range></specie><specie inp_file_name="InF2"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1996a pt1 p274 pt2 p218.</comment><reference>tpis96</reference><elements><element In="1" /><element F="2" /></elements><condensed>False</condensed><molecular_weight>0.1528148064</molecular_weight><hf298.15>-457186.824</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>7.522480210e+04</a1><a2>-1.088616881e+03</a2><a3>9.481705210e+00</a3><a4>-2.893229367e-03</a4><a5>1.516224649e-06</a5><a6>-7.989517810e-11</a6><a7>-1.466781026e-13</a7><b1>-5.124336150e+04</b1><b2>-2.146666090e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>4.318960340e+05</a1><a2>-1.688472420e+03</a2><a3>8.925863010e+00</a3><a4>-1.049188835e-03</a4><a5>2.723934190e-07</a5><a6>-2.882959902e-11</a6><a7>1.073493779e-15</a7><b1>-4.673691940e+04</b1><b2>-1.932464363e+01</b2></T_range></specie><specie inp_file_name="InF3"><identification><InChIKey>JNLSTWIBJFIVHZ-UHFFFAOYSA-K</InChIKey><canonical_smiles>F[In](F)F</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>trifluoroindigane</IUPAC_name></identification><comment>Gurvich,1996a pt1 p276 pt2 p220.</comment><reference>tpis96</reference><elements><element In="1" /><element F="3" /></elements><condensed>False</condensed><molecular_weight>0.1718132096</molecular_weight><hf298.15>-863079.566</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.071608336e+05</a1><a2>-1.660071901e+03</a2><a3>1.395972813e+01</a3><a4>-5.018693260e-03</a4><a5>3.226367530e-06</a5><a6>-7.823385970e-10</a6><a7>-3.726999800e-14</a7><b1>-9.795214990e+04</b1><b2>-4.606353470e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.656855506e+05</a1><a2>-7.965889290e+01</a2><a3>1.005913347e+01</a3><a4>-2.350816639e-05</a4><a5>5.163512930e-09</a5><a6>-5.888048810e-13</a6><a7>2.715090697e-17</a7><b1>-1.068682627e+05</b1><b2>-2.132968218e+01</b2></T_range></specie><specie inp_file_name="InH"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1996a pt1 p269 pt2 p215</comment><reference>tpis96</reference><elements><element In="1" /><element H="1" /></elements><condensed>False</condensed><molecular_weight>0.11582594</molecular_weight><hf298.15>215016.904</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-5.152828720e+04</a1><a2>7.813792590e+02</a2><a3>-8.433385340e-01</a3><a4>1.044471274e-02</a4><a5>-9.761074820e-06</a5><a6>4.540635200e-09</a6><a7>-8.169906900e-13</a7><b1>2.110048908e+04</b1><b2>2.939346222e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>7.797406660e+05</a1><a2>-3.646882080e+03</a2><a3>9.542967350e+00</a3><a4>-3.481281720e-03</a4><a5>1.304805603e-06</a5><a6>-2.182950701e-10</a6><a7>1.274009748e-14</a7><b1>4.643295460e+04</b1><b2>-3.659329230e+01</b2></T_range></specie><specie inp_file_name="InI"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1996a pt1 p298 pt2 p241.</comment><reference>tpis96</reference><elements><element In="1" /><element I="1" /></elements><condensed>False</condensed><molecular_weight>0.24172247</molecular_weight><hf298.15>26417.124</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-4.686348740e+02</a1><a2>-5.685530990e+01</a2><a3>4.781849690e+00</a3><a4>-6.619368310e-04</a4><a5>1.027666742e-06</a5><a6>-7.270592070e-10</a6><a7>2.077991102e-13</a7><b1>2.095570254e+03</b1><b2>4.885515130e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.529221772e+06</a1><a2>-4.690373680e+03</a2><a3>1.004593462e+01</a3><a4>-3.140434110e-03</a4><a5>9.460834390e-07</a5><a6>-1.253862848e-10</a6><a7>5.949805640e-15</a7><b1>3.152478143e+04</b1><b2>-3.297697490e+01</b2></T_range></specie><specie inp_file_name="InI2"><identification><InChIKey>USKWPFJFWKHYJF-UHFFFAOYSA-L</InChIKey><canonical_smiles>[In](I)I</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>diiodoindium</IUPAC_name></identification><comment>Gurvich,1996a pt1 p300 pt2 p243.</comment><reference>tpis96</reference><elements><element In="1" /><element I="2" /></elements><condensed>False</condensed><molecular_weight>0.36862694</molecular_weight><hf298.15>-39460.643</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-4.513890600e+03</a1><a2>-1.183726870e+02</a2><a3>7.473110080e+00</a3><a4>-1.034474090e-03</a4><a5>1.271465534e-06</a5><a6>-8.227820300e-10</a6><a7>2.178307019e-13</a7><b1>-6.278536040e+03</b1><b2>-6.667297500e-01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-3.130671665e+05</a1><a2>4.813810700e+02</a2><a3>7.100914180e+00</a3><a4>-5.506559920e-04</a4><a5>3.156120735e-07</a5><a6>-5.509170540e-11</a6><a7>3.171162830e-15</a7><b1>-1.043012750e+04</b1><b2>2.141662307e+00</b2></T_range></specie><specie inp_file_name="InI3"><identification><InChIKey>RMUKCGUDVKEQPL-UHFFFAOYSA-K</InChIKey><canonical_smiles>[In](I)(I)I</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>triiodoindigane</IUPAC_name></identification><comment>Gurvich,1996a pt1 p301 pt2 p245.</comment><reference>tpis96</reference><elements><element In="1" /><element I="3" /></elements><condensed>False</condensed><molecular_weight>0.49553141</molecular_weight><hf298.15>-105435.914</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-8.728397170e+03</a1><a2>-1.265914859e+02</a2><a3>1.050659120e+01</a3><a4>-1.106109314e-03</a4><a5>1.354335766e-06</a5><a6>-8.709453460e-10</a6><a7>2.285186350e-13</a7><b1>-1.508269063e+04</b1><b2>-1.211411745e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.196742567e+04</a1><a2>-2.151167521e+00</a2><a3>1.000182200e+01</a3><a4>-8.002214700e-07</a4><a5>1.897343164e-10</a5><a6>-2.296252460e-14</a6><a7>1.109838196e-18</a7><b1>-1.572406335e+04</b1><b2>-9.170888690e+00</b2></T_range></specie><specie inp_file_name="InO"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1996a pt1 p261 pt2 p212</comment><reference>tpis96</reference><elements><element In="1" /><element O="1" /></elements><condensed>False</condensed><molecular_weight>0.1308174</molecular_weight><hf298.15>145993.109</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.154727169e+05</a1><a2>1.753668703e+03</a2><a3>-6.965033810e+00</a3><a4>2.961698958e-02</a4><a5>-3.123332334e-05</a5><a6>1.437244720e-08</a6><a7>-2.235519898e-12</a7><b1>8.188679590e+03</b1><b2>6.608621260e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-8.052130950e+05</a1><a2>1.693064203e+03</a2><a3>4.760863580e+00</a3><a4>-7.340718400e-04</a4><a5>3.229597760e-07</a5><a6>-4.580150380e-11</a6><a7>1.954611725e-15</a7><b1>4.005519810e+03</b1><b2>3.500742460e+00</b2></T_range></specie><specie inp_file_name="InOH"><identification><InChIKey>UVLYPUPIDJLUCM-UHFFFAOYSA-M</InChIKey><canonical_smiles>[OH-].[In]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>indium;hydroxide</IUPAC_name></identification><comment>Gurvich,1996a pt1 p271 pt2 p216.</comment><reference>tpis96</reference><elements><element In="1" /><element O="1" /><element H="1" /></elements><condensed>False</condensed><molecular_weight>0.13182534</molecular_weight><hf298.15>-124447.344</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>6.123463020e+04</a1><a2>-1.195863129e+03</a2><a3>1.041427981e+01</a3><a4>-6.870002500e-03</a4><a5>6.214128780e-06</a5><a6>-2.408203181e-09</a6><a7>3.177641780e-13</a7><b1>-1.079852170e+04</b1><b2>-3.189890840e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>8.525128930e+05</a1><a2>-2.350317172e+03</a2><a3>7.984515140e+00</a3><a4>9.915815620e-05</a4><a5>-6.212385450e-08</a5><a6>1.016169575e-11</a6><a7>-5.682557640e-16</a7><b1>-1.536213610e+03</b1><b2>-2.043107643e+01</b2></T_range></specie><specie inp_file_name="In2Br2"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1996a pt1 p294 pt2 p237.</comment><reference>tpis96</reference><elements><element In="2" /><element Br="2" /></elements><condensed>False</condensed><molecular_weight>0.389444</molecular_weight><hf298.15>-196305.215</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-9.221188300e+03</a1><a2>-3.616677030e+01</a2><a3>1.014728771e+01</a3><a4>-3.255775200e-04</a4><a5>4.022327480e-07</a5><a6>-2.604080237e-10</a6><a7>6.867689550e-14</a7><b1>-2.644883479e+04</b1><b2>-1.000360073e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.290781804e+04</a1><a2>-6.075401240e-01</a2><a3>1.000052163e+01</a3><a4>-2.312058331e-07</a4><a5>5.517315720e-11</a5><a6>-6.708620190e-15</a6><a7>3.253841650e-19</a7><b1>-2.663136878e+04</b1><b2>-9.149949470e+00</b2></T_range></specie><specie inp_file_name="In2Br4"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1996a pt1 p295 pt2 p238.</comment><reference>tpis96</reference><elements><element In="2" /><element Br="4" /></elements><condensed>False</condensed><molecular_weight>0.549252</molecular_weight><hf298.15>-436508.683</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.425555379e+04</a1><a2>-2.866009341e+02</a2><a3>1.713866292e+01</a3><a4>-2.473506655e-03</a4><a5>3.017273071e-06</a5><a6>-1.934900430e-09</a6><a7>5.065874250e-13</a7><b1>-5.593753060e+04</b1><b2>-3.837105980e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-4.453463710e+04</a1><a2>-4.911523980e+00</a2><a3>1.600413764e+01</a3><a4>-1.810579975e-06</a4><a5>4.281715740e-10</a5><a6>-5.171998020e-14</a6><a7>2.496142837e-18</a7><b1>-5.739175410e+04</b1><b2>-3.174906390e+01</b2></T_range></specie><specie inp_file_name="In2Br6"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1996a pt1 p296 pt2 p239.</comment><reference>tpis96</reference><elements><element In="2" /><element Br="6" /></elements><condensed>False</condensed><molecular_weight>0.7090599999999999</molecular_weight><hf298.15>-628683.430</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.758940752e+04</a1><a2>-4.859034480e+02</a2><a3>2.391654505e+01</a3><a4>-4.142061490e-03</a4><a5>5.033849320e-06</a5><a6>-3.219103650e-09</a6><a7>8.410220070e-13</a7><b1>-7.988844460e+04</b1><b2>-6.437871880e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-6.945039480e+04</a1><a2>-8.402368170e+00</a2><a3>2.200703884e+01</a3><a4>-3.068251799e-06</a4><a5>7.235965730e-10</a5><a6>-8.722870580e-14</a6><a7>4.203469910e-18</a7><b1>-8.235759850e+04</b1><b2>-5.322192800e+01</b2></T_range></specie><specie inp_file_name="In2Cl2"><identification><InChIKey>VLUFTYZGQQRZCU-UHFFFAOYSA-L</InChIKey><canonical_smiles>[Cl-].[Cl-].[In+3].[In+3]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>indium(3+);dichloride</IUPAC_name></identification><comment>Gurvich,1996a pt1 p287 pt2 p229.</comment><reference>tpis96</reference><elements><element In="2" /><element Cl="2" /></elements><condensed>False</condensed><molecular_weight>0.300542</molecular_weight><hf298.15>-232177.375</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.142848747e+04</a1><a2>-1.416015827e+02</a2><a3>1.056853314e+01</a3><a4>-1.244253440e-03</a4><a5>1.526076784e-06</a5><a6>-9.826402810e-10</a6><a7>2.580766990e-13</a7><b1>-3.026327087e+04</b1><b2>-1.565104960e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.616606332e+04</a1><a2>-2.401955489e+00</a2><a3>1.000203984e+01</a3><a4>-8.975190030e-07</a4><a5>2.130755553e-10</a5><a6>-2.581140900e-14</a6><a7>1.248404822e-18</a7><b1>-3.098016735e+04</b1><b2>-1.234946505e+01</b2></T_range></specie><specie inp_file_name="In2Cl4"><identification><InChIKey>KMKXGUIDDQDOQI-UHFFFAOYSA-J</InChIKey><canonical_smiles>Cl[In]Cl.Cl[In]Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dichloroindium</IUPAC_name></identification><comment>Gurvich,1996a pt1 p287 pt2 p230.</comment><reference>tpis96</reference><elements><element In="2" /><element Cl="4" /></elements><condensed>False</condensed><molecular_weight>0.371448</molecular_weight><hf298.15>-579125.856</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>9.814083080e+03</a1><a2>-8.488959010e+02</a2><a3>1.923410360e+01</a3><a4>-6.815674240e-03</a4><a5>8.129220730e-06</a5><a6>-5.125076850e-09</a6><a7>1.324324755e-12</a7><b1>-7.027688140e+04</b1><b2>-5.582665695e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-8.503771790e+04</a1><a2>-1.552464614e+01</a2><a3>1.601269668e+01</a3><a4>-5.441549870e-06</a4><a5>1.267594997e-09</a5><a6>-1.514110365e-13</a6><a7>7.245404540e-18</a7><b1>-7.461921740e+04</b1><b2>-3.691150615e+01</b2></T_range></specie><specie inp_file_name="In2Cl6"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1996a pt1 p288 pt2 p231.</comment><reference>tpis96</reference><elements><element In="2" /><element Cl="6" /></elements><condensed>False</condensed><molecular_weight>0.44235399999999997</molecular_weight><hf298.15>-882340.029</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>3.004663159e+04</a1><a2>-1.585621359e+03</a2><a3>2.796489470e+01</a3><a4>-1.245506052e-02</a4><a5>1.475341213e-05</a5><a6>-9.252689200e-09</a6><a7>2.381233885e-12</a7><b1>-1.048828300e+05</b1><b2>-9.788404640e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.499400484e+05</a1><a2>-2.988680816e+01</a2><a3>2.202425362e+01</a3><a4>-1.033652301e-05</a4><a5>2.397911922e-09</a5><a6>-2.855307516e-13</a6><a7>1.363051661e-17</a7><b1>-1.130110233e+05</b1><b2>-6.293985680e+01</b2></T_range></specie><specie inp_file_name="In2F2"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1996a pt1 p276 pt2 p221.</comment><reference>tpis96</reference><elements><element In="2" /><element F="2" /></elements><condensed>False</condensed><molecular_weight>0.2676328064</molecular_weight><hf298.15>-532234.300</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>7.255717100e+03</a1><a2>-6.448265650e+02</a2><a3>1.247539512e+01</a3><a4>-5.246089620e-03</a4><a5>6.283616210e-06</a5><a6>-3.974342340e-09</a6><a7>1.029559356e-12</a7><b1>-6.384892450e+04</b1><b2>-3.108004586e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-6.409715440e+04</a1><a2>-1.163740672e+01</a2><a3>1.000956511e+01</a3><a4>-4.114086910e-06</a4><a5>9.608828320e-10</a5><a6>-1.150013486e-13</a6><a7>5.511437480e-18</a7><b1>-6.714277850e+04</b1><b2>-1.661718474e+01</b2></T_range></specie><specie inp_file_name="In2F4"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1996a pt1 p277 pt2 p222.</comment><reference>tpis96</reference><elements><element In="2" /><element F="4" /></elements><condensed>False</condensed><molecular_weight>0.3056296128</molecular_weight><hf298.15>-1284788.126</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.225213611e+05</a1><a2>-2.444998374e+03</a2><a3>2.342425457e+01</a3><a4>-1.291427120e-02</a4><a5>1.308700476e-05</a5><a6>-7.181673930e-09</a6><a7>1.648386404e-12</a7><b1>-1.466942111e+05</b1><b2>-8.943560050e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.205977486e+05</a1><a2>-7.822083770e+01</a2><a3>1.605923872e+01</a3><a4>-2.394023240e-05</a4><a5>5.329582790e-09</a5><a6>-6.144609570e-13</a6><a7>2.859099598e-17</a7><b1>-1.595716347e+05</b1><b2>-4.469574580e+01</b2></T_range></specie><specie inp_file_name="In2F6"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1996a pt1 p279 pt2 p223.</comment><reference>tpis96</reference><elements><element In="2" /><element F="6" /></elements><condensed>False</condensed><molecular_weight>0.3436264192</molecular_weight><hf298.15>-1960000.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.825490583e+05</a1><a2>-3.552111710e+03</a2><a3>3.275425230e+01</a3><a4>-1.868064635e-02</a4><a5>1.892443162e-05</a5><a6>-1.038916311e-08</a6><a7>2.386637271e-12</a7><b1>-2.239648760e+05</b1><b2>-1.363626758e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-3.170966380e+05</a1><a2>-1.167440973e+02</a2><a3>2.208847456e+01</a3><a4>-3.577733930e-05</a4><a5>7.968959040e-09</a5><a6>-9.191681700e-13</a6><a7>4.278494150e-17</a7><b1>-2.426661118e+05</b1><b2>-7.155328560e+01</b2></T_range></specie><specie inp_file_name="In2I2"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1996a pt1 p303 pt2 p246.</comment><reference>tpis96</reference><elements><element In="2" /><element I="2" /></elements><condensed>False</condensed><molecular_weight>0.48344494</molecular_weight><hf298.15>-27813.524</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-6.681925010e+03</a1><a2>-1.449103222e+01</a2><a3>1.005929122e+01</a3><a4>-1.314921486e-04</a4><a5>1.628373589e-07</a5><a6>-1.056087811e-10</a6><a7>2.788963879e-14</a7><b1>-6.279602600e+03</b1><b2>-7.291130980e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-8.148157300e+03</a1><a2>-2.444544443e-01</a2><a3>1.000021086e+01</a3><a4>-9.376789250e-08</a4><a5>2.242988180e-11</a5><a6>-2.732299303e-15</a6><a7>1.327135699e-19</a7><b1>-6.352651500e+03</b1><b2>-6.947725420e+00</b2></T_range></specie><specie inp_file_name="In2I4"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1996a pt1 p304 pt2 p247.</comment><reference>tpis96</reference><elements><element In="2" /><element I="4" /></elements><condensed>False</condensed><molecular_weight>0.73725388</molecular_weight><hf298.15>-199143.181</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.501028064e+04</a1><a2>-9.744797900e+01</a2><a3>1.639383950e+01</a3><a4>-8.659380210e-04</a4><a5>1.065671801e-06</a5><a6>-6.879252680e-10</a6><a7>1.810240886e-13</a7><b1>-2.830388443e+04</b1><b2>-2.986294828e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.505699251e+04</a1><a2>-1.642155234e+00</a2><a3>1.600140149e+01</a3><a4>-6.187066280e-07</a4><a5>1.472308565e-10</a5><a6>-1.786593333e-14</a6><a7>8.652338780e-19</a7><b1>-2.879655333e+04</b1><b2>-2.757790375e+01</b2></T_range></specie><specie inp_file_name="In2I6"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1996a pt1 p305 pt2 p248.</comment><reference>tpis96</reference><elements><element In="2" /><element I="6" /></elements><condensed>False</condensed><molecular_weight>0.99106282</molecular_weight><hf298.15>-319720.040</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-2.232640607e+04</a1><a2>-2.000786874e+02</a2><a3>2.280417927e+01</a3><a4>-1.761331313e-03</a4><a5>2.161510393e-06</a5><a6>-1.392400447e-09</a6><a7>3.658171880e-13</a7><b1>-4.412547680e+04</b1><b2>-5.273802030e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-4.311905850e+04</a1><a2>-3.390350590e+00</a2><a3>2.200288128e+01</a3><a4>-1.268348706e-06</a4><a5>3.012121900e-10</a5><a6>-3.649676710e-14</a6><a7>1.765530622e-18</a7><b1>-4.513820270e+04</b1><b2>-4.806868370e+01</b2></T_range></specie><specie inp_file_name="In2O"><identification><InChIKey>BLBNEWYCYZMDEK-UHFFFAOYSA-N</InChIKey><canonical_smiles>O([In])[In]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>$l^{1}-indiganyloxyindium</IUPAC_name></identification><comment>Gurvich,1996a pt1 p264 pt2 p213.</comment><reference>tpis96</reference><elements><element In="2" /><element O="1" /></elements><condensed>False</condensed><molecular_weight>0.2456354</molecular_weight><hf298.15>-34763.707</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>5.065653500e+04</a1><a2>-8.070363670e+02</a2><a3>8.642067270e+00</a3><a4>-1.533035446e-03</a4><a5>2.866419382e-07</a5><a6>4.981134970e-10</a6><a7>-2.554320291e-13</a7><b1>-1.924908459e+03</b1><b2>-1.490718759e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-9.232786360e+04</a1><a2>-5.201127280e+01</a2><a3>7.038723620e+00</a3><a4>-1.543821179e-05</a4><a5>3.399700870e-09</a5><a6>-3.885457100e-13</a6><a7>1.795125270e-17</a7><b1>-6.270926800e+03</b1><b2>-4.421820410e+00</b2></T_range></specie><specie inp_file_name="K"><identification><InChIKey>ZLMJMSJWJFRBEC-UHFFFAOYSA-N</InChIKey><canonical_smiles>[K]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>potassium</IUPAC_name></identification><comment>Hf:Cox,1989. Sugar,1985. Gordon 1999.</comment><reference>g 7/97</reference><elements><element K="1" /></elements><condensed>False</condensed><molecular_weight>0.0390983</molecular_weight><hf298.15>89000.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>9.665143930e+00</a1><a2>-1.458059455e-01</a2><a3>2.500865861e+00</a3><a4>-2.601219276e-06</a4><a5>4.187306580e-09</a5><a6>-3.439722110e-12</a6><a7>1.131569009e-15</a7><b1>9.959493490e+03</b1><b2>5.035822260e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-3.566422360e+06</a1><a2>1.085289825e+04</a2><a3>-1.054134898e+01</a3><a4>8.009801350e-03</a4><a5>-2.696681041e-06</a5><a6>4.715294150e-10</a6><a7>-2.976897350e-14</a7><b1>-5.875337010e+04</b1><b2>9.738551240e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>9.205786590e+08</a1><a2>-6.935300280e+05</a2><a3>1.911270788e+02</a3><a4>-2.305931672e-02</a4><a5>1.430294866e-06</a5><a6>-4.409335020e-11</a6><a7>5.366769166e-16</a7><b1>5.395082190e+06</b1><b2>-1.622158805e+03</b2></T_range></specie><specie inp_file_name="K+"><identification><InChIKey>NPYPAHLBTDXSSS-UHFFFAOYSA-N</InChIKey><canonical_smiles>[K+]</canonical_smiles><cas_number>24203-36-9</cas_number><IUPAC_name>potassium(1+)</IUPAC_name></identification><comment>Sugar,1985. Gordon 1999.</comment><reference>g 6/97</reference><elements><element K="1" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.0390977514</molecular_weight><hf298.15>514007.528</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.500000000e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>6.107516860e+04</b1><b2>4.347404440e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.500000000e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>6.107516860e+04</b1><b2>4.347404440e+00</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>2.177901245e+07</a1><a2>-1.415076630e+04</a2><a3>6.248954270e+00</a3><a4>-5.187436800e-04</a4><a5>3.959640680e-08</a5><a6>-1.584335542e-12</a6><a7>2.603558905e-17</a7><b1>1.722753576e+05</b1><b2>-2.781728990e+01</b2></T_range></specie><specie inp_file_name="K-"><identification><InChIKey>ZLMJMSJWJFRBEC-UHFFFAOYSA-N</InChIKey><canonical_smiles>[K]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>potassium</IUPAC_name></identification><comment>Hotop,1985. Gordon 1999.</comment><reference>g 9/97</reference><elements><element K="1" /><element E="1" /></elements><condensed>False</condensed><molecular_weight>0.0390988486</molecular_weight><hf298.15>34418.128</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.500000000e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>3.394150710e+03</b1><b2>4.347446530e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.500000000e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>3.394150710e+03</b1><b2>4.347446530e+00</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.500000000e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>3.394150710e+03</b1><b2>4.347446530e+00</b2></T_range></specie><specie inp_file_name="KAlF4"><identification><InChIKey>SKFYTVYMYJCRET-UHFFFAOYSA-J</InChIKey><canonical_smiles>F[Al-](F)(F)F.[K+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>potassium;tetrafluoroalumanuide</IUPAC_name></identification><comment>Gurvich,1982 pt1 p417 pt2 p441.</comment><reference>tpis82</reference><elements><element K="1" /><element Al="1" /><element F="4" /></elements><condensed>False</condensed><molecular_weight>0.1420734508</molecular_weight><hf298.15>-1907856.822</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.199327246e+05</a1><a2>-2.156457352e+03</a2><a3>1.815348004e+01</a3><a4>3.115762809e-03</a4><a5>-9.511991670e-06</a5><a6>8.431756230e-09</a6><a7>-2.615583061e-12</a7><b1>-2.222545809e+05</b1><b2>-6.823299970e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-3.435135370e+05</a1><a2>-2.420680834e+02</a2><a3>1.618029250e+01</a3><a4>-7.193817680e-05</a4><a5>1.585712708e-08</a5><a6>-1.814017733e-12</a6><a7>8.388391180e-17</a7><b1>-2.339658121e+05</b1><b2>-5.233898700e+01</b2></T_range></specie><specie inp_file_name="KBO2"><identification><InChIKey>JVUYWILPYBCNNG-UHFFFAOYSA-N</InChIKey><canonical_smiles>B(=O)[O-].[K+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>potassium;oxido(oxo)borane</IUPAC_name></identification><comment>Gurvich,1982 pt1 p415 pt2 p439.</comment><reference>tpis82</reference><elements><element K="1" /><element B="1" /><element O="2" /></elements><condensed>False</condensed><molecular_weight>0.08190810000000001</molecular_weight><hf298.15>-668023.297</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>4.296308650e+04</a1><a2>-7.209616430e+02</a2><a3>8.349639350e+00</a3><a4>2.407820401e-03</a4><a5>-1.680003427e-07</a5><a6>-1.231930486e-09</a6><a7>5.479951640e-13</a7><b1>-7.868523470e+04</b1><b2>-1.476077068e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>8.890726600e+04</a1><a2>-1.671432436e+03</a2><a3>1.117483930e+01</a3><a4>-4.513760260e-04</a4><a5>9.699003460e-08</a5><a6>-1.090027690e-11</a6><a7>4.976845800e-16</a7><b1>-7.375336080e+04</b1><b2>-3.274749370e+01</b2></T_range></specie><specie inp_file_name="KBr"><identification><InChIKey>IOLCXVTUBQKXJR-UHFFFAOYSA-M</InChIKey><canonical_smiles>[K+].[Br-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>potassium;bromide</IUPAC_name></identification><comment>Gurvich,1982 pt1 p396 pt2 p423.</comment><reference>tpis82</reference><elements><element K="1" /><element Br="1" /></elements><condensed>False</condensed><molecular_weight>0.1190023</molecular_weight><hf298.15>-179250.878</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>9.203309190e+03</a1><a2>-2.137880361e+02</a2><a3>5.588509150e+00</a3><a4>-2.753854319e-03</a4><a5>4.013672610e-06</a5><a6>-2.856323127e-09</a6><a7>8.135209740e-13</a7><b1>-2.188387013e+04</b1><b2>-1.707501588e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.562614367e+06</a1><a2>-4.384894780e+03</a2><a3>9.045464600e+00</a3><a4>-2.045680900e-03</a4><a5>4.401923850e-07</a5><a6>-1.448178289e-11</a6><a7>-2.273338760e-15</a7><b1>5.315342010e+03</b1><b2>-2.864647026e+01</b2></T_range></specie><specie inp_file_name="KCN"><identification><InChIKey>NNFCIKHAZHQZJG-UHFFFAOYSA-N</InChIKey><canonical_smiles>[C-]#N.[K+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>potassium;cyanide</IUPAC_name></identification><comment>Chase,1998 p620.</comment><reference>j 3/66</reference><elements><element K="1" /><element C="1" /><element N="1" /></elements><condensed>False</condensed><molecular_weight>0.0651157</molecular_weight><hf298.15>79496.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.798627669e+04</a1><a2>-6.300558970e+02</a2><a3>9.988695000e+00</a3><a4>-1.076486132e-02</a4><a5>1.751014980e-05</a5><a6>-1.265592431e-08</a6><a7>3.469762810e-12</a7><b1>1.058025371e+04</b1><b2>-2.594060289e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>3.615663870e+05</a1><a2>-1.749018011e+03</a2><a3>8.680702670e+00</a3><a4>-4.402350040e-04</a4><a5>9.249499710e-08</a5><a6>-1.021916855e-11</a6><a7>4.604767190e-16</a7><b1>1.813734856e+04</b1><b2>-2.281619241e+01</b2></T_range></specie><specie inp_file_name="KCl"><identification><InChIKey>WCUXLLCKKVVCTQ-UHFFFAOYSA-M</InChIKey><canonical_smiles>[Cl-].[K+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>potassium;chloride</IUPAC_name></identification><comment>Gurvich,1982 pt1 p393 pt2 p420.</comment><reference>tpis82</reference><elements><element K="1" /><element Cl="1" /></elements><condensed>False</condensed><molecular_weight>0.0745513</molecular_weight><hf298.15>-214574.881</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>9.058351510e+03</a1><a2>-2.456801212e+02</a2><a3>5.680696190e+00</a3><a4>-2.900127425e-03</a4><a5>4.130983060e-06</a5><a6>-2.907340629e-09</a6><a7>8.223850870e-13</a7><b1>-2.597304884e+04</b1><b2>-3.677976854e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.122945722e+05</a1><a2>9.346158900e+02</a2><a3>2.866264958e+00</a3><a4>1.468386693e-03</a4><a5>-5.834260780e-07</a5><a6>1.255777709e-10</a6><a7>-9.150148000e-15</a7><b1>-3.273787640e+04</b1><b2>1.401864636e+01</b2></T_range></specie><specie inp_file_name="KF"><identification><InChIKey>NROKBHXJSPEDAR-UHFFFAOYSA-M</InChIKey><canonical_smiles>[F-].[K+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>potassium;fluoride</IUPAC_name></identification><comment>Gurvich,1982 pt1 p389 pt2 p417.</comment><reference>tpis82</reference><elements><element K="1" /><element F="1" /></elements><condensed>False</condensed><molecular_weight>0.0580967032</molecular_weight><hf298.15>-328444.886</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.435704906e+04</a1><a2>-3.391848230e+02</a2><a3>5.727906720e+00</a3><a4>-2.518371562e-03</a4><a5>3.265915640e-06</a5><a6>-2.210110860e-09</a6><a7>6.212042050e-13</a7><b1>-3.914254420e+04</b1><b2>-5.810999620e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.483743237e+06</a1><a2>4.550048040e+03</a2><a3>-1.081464319e+00</a3><a4>3.503965880e-03</a4><a5>-1.093902537e-06</a5><a6>1.771028824e-10</a6><a7>-1.029032783e-14</a7><b1>-6.963329810e+04</b1><b2>4.088635920e+01</b2></T_range></specie><specie inp_file_name="KH"><identification><InChIKey>OCFVSFVLVRNXFJ-UHFFFAOYSA-N</InChIKey><canonical_smiles>[H-].[K+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>potassium;hydride</IUPAC_name></identification><comment>Gurvich,1982 pt1 p383 pt2 p412.</comment><reference>tpis82</reference><elements><element K="1" /><element H="1" /></elements><condensed>False</condensed><molecular_weight>0.04010624</molecular_weight><hf298.15>125399.106</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>2.237782150e+02</a1><a2>1.793554623e+02</a2><a3>1.130735415e+00</a3><a4>9.966112560e-03</a4><a5>-1.341218171e-05</a5><a6>9.034529940e-09</a6><a7>-2.409887770e-12</a7><b1>1.338250358e+04</b1><b2>1.552739897e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-3.752276520e+06</a1><a2>1.172778444e+04</a2><a3>-1.014137678e+01</a3><a4>8.854548900e-03</a4><a5>-2.517188074e-06</a5><a6>3.344072360e-10</a6><a7>-1.701157835e-14</a7><b1>-6.025103300e+04</b1><b2>1.010304590e+02</b2></T_range></specie><specie inp_file_name="KI"><identification><InChIKey>NLKNQRATVPKPDG-UHFFFAOYSA-M</InChIKey><canonical_smiles>[K+].[I-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>potassium;iodide</IUPAC_name></identification><comment>Gurvich,1982 pt1 p400 pt2 p426.</comment><reference>tpis82</reference><elements><element K="1" /><element I="1" /></elements><condensed>False</condensed><molecular_weight>0.16600277</molecular_weight><hf298.15>-128455.877</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-4.572811740e+02</a1><a2>-6.331769730e+01</a2><a3>4.823292420e+00</a3><a4>-7.876668320e-04</a4><a5>1.336737911e-06</a5><a6>-1.000530992e-09</a6><a7>3.004503956e-13</a7><b1>-1.650340769e+04</b1><b2>3.552594820e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>3.293747780e+06</a1><a2>-1.002824194e+04</a2><a3>1.629302044e+01</a3><a4>-6.696396750e-03</a4><a5>2.001412089e-06</a5><a6>-2.677673023e-10</a6><a7>1.273359646e-14</a7><b1>4.676348670e+04</b1><b2>-7.859123370e+01</b2></T_range></specie><specie inp_file_name="KLi"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1982 pt1 p419 pt2 p444.</comment><reference>tpis82</reference><elements><element K="1" /><element Li="1" /></elements><condensed>False</condensed><molecular_weight>0.0460393</molecular_weight><hf298.15>170702.323</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-3.426043690e+03</a1><a2>-1.986063081e+01</a2><a3>4.487607050e+00</a3><a4>5.249535550e-04</a4><a5>-1.207990165e-06</a5><a6>1.705161047e-09</a6><a7>-7.879994210e-13</a7><b1>1.927868247e+04</b1><b2>1.912285942e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.211296843e+07</a1><a2>-4.081004870e+04</a2><a3>5.683792120e+01</a3><a4>-3.128695515e-02</a4><a5>8.975062200e-06</a5><a6>-1.189303691e-09</a6><a7>5.880129180e-14</a7><b1>2.738792595e+05</b1><b2>-3.669693600e+02</b2></T_range></specie><specie inp_file_name="KNO2"><identification><InChIKey>BXNHTSHTPBPRFX-UHFFFAOYSA-M</InChIKey><canonical_smiles>N(=O)[O-].[K+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>potassium;nitrite</IUPAC_name></identification><comment>Gurvich,1982 pt1 p406 pt2 p431.</comment><reference>tpis82</reference><elements><element K="1" /><element N="1" /><element O="2" /></elements><condensed>False</condensed><molecular_weight>0.08510380000000001</molecular_weight><hf298.15>-192497.394</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-7.246236930e+04</a1><a2>1.226722811e+03</a2><a3>-2.258926457e+00</a3><a4>3.019643903e-02</a4><a5>-3.640259950e-05</a5><a6>2.219135205e-08</a6><a7>-5.471654230e-12</a7><b1>-3.077268960e+04</b1><b2>4.537172549e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.689414093e+05</a1><a2>-8.515973150e+02</a2><a3>1.063209586e+01</a3><a4>-2.523254810e-04</a4><a5>5.573644410e-08</a5><a6>-6.393185920e-12</a6><a7>2.964484049e-16</a7><b1>-2.187701436e+04</b1><b2>-2.755200432e+01</b2></T_range></specie><specie inp_file_name="KNO3"><identification><InChIKey>FGIUAXJPYTZDNR-UHFFFAOYSA-N</InChIKey><canonical_smiles>[N+](=O)([O-])[O-].[K+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>potassium;nitrate</IUPAC_name></identification><comment>Gurvich,1982 pt1 p409 pt2 p433.</comment><reference>tpis82</reference><elements><element K="1" /><element N="1" /><element O="3" /></elements><condensed>False</condensed><molecular_weight>0.1011032</molecular_weight><hf298.15>-315832.888</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-2.596112303e+04</a1><a2>8.200606610e+02</a2><a3>-2.886015624e+00</a3><a4>4.207288900e-02</a4><a5>-5.270323090e-05</a5><a6>3.308561730e-08</a6><a7>-8.365860370e-12</a7><b1>-4.335054470e+04</b1><b2>4.603187331e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-3.183682870e+05</a1><a2>-1.375234449e+03</a2><a3>1.401587531e+01</a3><a4>-4.040660080e-04</a4><a5>8.900847780e-08</a5><a6>-1.018771993e-11</a6><a7>4.715982020e-16</a7><b1>-3.513853220e+04</b1><b2>-4.804256439e+01</b2></T_range></specie><specie inp_file_name="KNa"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1982 pt1 p420 pt2 p445.</comment><reference>tpis82</reference><elements><element K="1" /><element Na="1" /></elements><condensed>False</condensed><molecular_weight>0.06208807</molecular_weight><hf298.15>132404.327</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>2.542405292e+04</a1><a2>-4.119207410e+02</a2><a3>6.841087950e+00</a3><a4>-6.250481380e-03</a4><a5>8.861013140e-06</a5><a6>-4.922415350e-09</a6><a7>6.493212470e-13</a7><b1>1.652599890e+04</b1><b2>-9.136166910e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>6.260326620e+06</a1><a2>-2.563593614e+04</a2><a3>4.373335450e+01</a3><a4>-2.672655110e-02</a4><a5>8.232705790e-06</a5><a6>-1.128503590e-09</a6><a7>5.663264890e-14</a7><b1>1.697274909e+05</b1><b2>-2.664117219e+02</b2></T_range></specie><specie inp_file_name="KO"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1982 pt1 p375 pt2 p404.</comment><reference>tpis82</reference><elements><element K="1" /><element O="1" /></elements><condensed>False</condensed><molecular_weight>0.055097700000000006</molecular_weight><hf298.15>64733.314</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.462562908e+04</a1><a2>-3.384765650e+02</a2><a3>5.716607640e+00</a3><a4>-2.363265083e-03</a4><a5>2.848716276e-06</a5><a6>-1.739858233e-09</a6><a7>4.431006520e-13</a7><b1>8.141835380e+03</b1><b2>-4.022101520e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>6.960103380e+05</a1><a2>-3.304835290e+03</a2><a3>1.005743444e+01</a3><a4>-4.331112000e-03</a4><a5>1.747281632e-06</a5><a6>-3.012370548e-10</a6><a7>1.790827870e-14</a7><b1>2.604972496e+04</b1><b2>-3.448781520e+01</b2></T_range></specie><specie inp_file_name="KOH"><identification><InChIKey>KWYUFKZDYYNOTN-UHFFFAOYSA-M</InChIKey><canonical_smiles>[OH-].[K+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>potassium;hydroxide</IUPAC_name></identification><comment>Gurvich,1997.</comment><reference>g 9/97</reference><elements><element K="1" /><element O="1" /><element H="1" /></elements><condensed>False</condensed><molecular_weight>0.05610564</molecular_weight><hf298.15>-232000.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.770684196e+04</a1><a2>-6.153205220e+02</a2><a3>8.684075720e+00</a3><a4>-3.962849510e-03</a4><a5>3.408650590e-06</a5><a6>-9.601972220e-10</a6><a7>8.494054970e-15</a7><b1>-2.677903261e+04</b1><b2>-2.174495666e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>8.917271950e+05</a1><a2>-2.334179072e+03</a2><a3>7.972578710e+00</a3><a4>1.038863156e-04</a4><a5>-6.315893470e-08</a5><a6>1.027938106e-11</a6><a7>-5.736685820e-16</a7><b1>-1.443696469e+04</b1><b2>-2.076401416e+01</b2></T_range></specie><specie inp_file_name="K2"><identification><InChIKey>ZDHURYWHEBEGHO-UHFFFAOYSA-N</InChIKey><canonical_smiles>[K][K]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>potassiopotassium</IUPAC_name></identification><comment>Gurvich,1982 pt1 p370 pt2 p402.</comment><reference>tpis82</reference><elements><element K="2" /></elements><condensed>False</condensed><molecular_weight>0.0781966</molecular_weight><hf298.15>126546.329</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.524169293e+04</a1><a2>-3.301789360e+02</a2><a3>7.070795950e+00</a3><a4>-9.767072460e-03</a4><a5>2.021535863e-05</a5><a6>-1.886092452e-08</a6><a7>6.112974640e-12</a7><b1>1.533402849e+04</b1><b2>-9.101035800e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.734470745e+07</a1><a2>6.562180010e+04</a2><a3>-4.476350440e+01</a3><a4>8.938859150e-03</a4><a5>2.984557092e-06</a5><a6>-1.064158914e-09</a6><a7>8.334936930e-14</a7><b1>-4.226243830e+05</b1><b2>3.867142510e+02</b2></T_range></specie><specie inp_file_name="K2+"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1982 pt1 p374 pt2 p403.</comment><reference>tpis82</reference><elements><element K="2" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.07819605140000001</molecular_weight><hf298.15>524660.731</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>5.196036570e+04</a1><a2>-6.113382530e+02</a2><a3>7.264990540e+00</a3><a4>-5.810634820e-03</a4><a5>6.567496500e-06</a5><a6>-2.378020865e-09</a6><a7>-1.318637581e-13</a7><b1>6.479820270e+04</b1><b2>-1.042370517e+01</b2></T_range><T_range Thigh="3000.0" Tlow="1000.0"><a1>1.107950739e+07</a1><a2>-4.177483820e+04</a2><a3>6.448659840e+01</a3><a4>-4.024998030e-02</a4><a5>1.360587923e-05</a5><a6>-2.361920107e-09</a6><a7>1.673430610e-13</a7><b1>3.177612050e+05</b1><b2>-4.105063100e+02</b2></T_range></specie><specie inp_file_name="K2Br2"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1982 pt1 p397 pt2 p424.</comment><reference>tpis82</reference><elements><element K="2" /><element Br="2" /></elements><condensed>False</condensed><molecular_weight>0.2380046</molecular_weight><hf298.15>-538744.193</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.093040504e+04</a1><a2>-4.856651480e+01</a2><a3>1.019754923e+01</a3><a4>-4.363157100e-04</a4><a5>5.387173660e-07</a5><a6>-3.486116500e-10</a6><a7>9.190702950e-14</a7><b1>-6.758073240e+04</b1><b2>-1.294944706e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.589229976e+04</a1><a2>-8.101379460e-01</a2><a3>1.000069442e+01</a3><a4>-3.074491521e-07</a4><a5>7.331024160e-11</a5><a6>-8.908944780e-15</a6><a7>4.319245430e-19</a7><b1>-6.782595440e+04</b1><b2>-1.180425726e+01</b2></T_range></specie><specie inp_file_name="K2CO3"><identification><InChIKey>BWHMMNNQKKPAPP-UHFFFAOYSA-L</InChIKey><canonical_smiles>C(=O)([O-])[O-].[K+].[K+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dipotassium;carbonate</IUPAC_name></identification><comment>Gurvich,1982 pt1 p411 pt2 p435.</comment><reference>tpis82</reference><elements><element K="2" /><element C="1" /><element O="3" /></elements><condensed>False</condensed><molecular_weight>0.1382055</molecular_weight><hf298.15>-811649.163</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-4.407406700e+04</a1><a2>7.069815440e+02</a2><a3>6.931482470e-01</a3><a4>3.967831320e-02</a4><a5>-4.850958300e-05</a5><a6>2.976635787e-08</a6><a7>-7.374761530e-12</a7><b1>-1.033913232e+05</b1><b2>2.980651689e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-3.264263160e+05</a1><a2>-1.521168973e+03</a2><a3>1.712283562e+01</a3><a4>-4.464580710e-04</a4><a5>9.833379630e-08</a5><a6>-1.125478371e-11</a6><a7>5.210069120e-16</a7><b1>-9.488275100e+04</b1><b2>-6.215220630e+01</b2></T_range></specie><specie inp_file_name="K2C2N2"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Chase,1998 p678.</comment><reference>j 3/66</reference><elements><element K="2" /><element C="2" /><element N="2" /></elements><condensed>False</condensed><molecular_weight>0.1302314</molecular_weight><hf298.15>-8368.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>4.627789480e+03</a1><a2>-9.729810620e+02</a2><a3>1.996665910e+01</a3><a4>-1.953015081e-02</a4><a5>3.275330460e-05</a5><a6>-2.393985120e-08</a6><a7>6.596548240e-12</a7><b1>-7.774411260e+02</b1><b2>-6.755613632e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>7.269599500e+05</a1><a2>-3.492108680e+03</a2><a3>1.835676822e+01</a3><a4>-8.785475140e-04</a4><a5>1.845532919e-07</a5><a6>-2.038717568e-11</a6><a7>9.185420990e-16</a7><b1>1.582600773e+04</b1><b2>-6.728484052e+01</b2></T_range></specie><specie inp_file_name="K2Cl2"><identification><InChIKey>PKRPQASGRXWUOJ-UHFFFAOYSA-L</InChIKey><canonical_smiles>[Cl-].[Cl-].[K+].[K+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dipotassium;dichloride</IUPAC_name></identification><comment>Gurvich,1982 pt1 p393 pt2 p421.</comment><reference>tpis82</reference><elements><element K="2" /><element Cl="2" /></elements><condensed>False</condensed><molecular_weight>0.1491026</molecular_weight><hf298.15>-615393.663</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.328526456e+04</a1><a2>-1.241832429e+02</a2><a3>1.050035730e+01</a3><a4>-1.097776004e-03</a4><a5>1.348871402e-06</a5><a6>-8.697215120e-10</a6><a7>2.286584080e-13</a7><b1>-7.644363150e+04</b1><b2>-1.790150052e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.614611331e+04</a1><a2>-2.096229095e+00</a2><a3>1.000178456e+01</a3><a4>-7.864803710e-07</a4><a5>1.869281152e-10</a5><a6>-2.266272348e-14</a6><a7>1.096790704e-18</a7><b1>-7.707189330e+04</b1><b2>-1.499720802e+01</b2></T_range></specie><specie inp_file_name="K2F2"><identification><InChIKey>WSLQHGMJTGELSF-UHFFFAOYSA-L</InChIKey><canonical_smiles>[F-].[F-].[K+].[K+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dipotassium;difluoride</IUPAC_name></identification><comment>Gurvich,1982 pt1 p389 pt2 p418.</comment><reference>tpis82</reference><elements><element K="2" /><element F="2" /></elements><condensed>False</condensed><molecular_weight>0.1161934064</molecular_weight><hf298.15>-859875.481</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.611833856e+03</a1><a2>-5.135644890e+02</a2><a3>1.199922511e+01</a3><a4>-4.280109550e-03</a4><a5>5.165387540e-06</a5><a6>-3.285814900e-09</a6><a7>8.549648750e-13</a7><b1>-1.039248602e+05</b1><b2>-3.039925079e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-5.740892530e+04</a1><a2>-9.046182110e+00</a2><a3>1.000750685e+01</a3><a4>-3.250764840e-06</a4><a5>7.630064590e-10</a5><a6>-9.165649530e-14</a6><a7>4.405048440e-18</a7><b1>-1.065413546e+05</b1><b2>-1.874037620e+01</b2></T_range></specie><specie inp_file_name="K2I2"><identification><InChIKey>HIEFXWXCLCHBPG-UHFFFAOYSA-L</InChIKey><canonical_smiles>[K+].[K+].[I-].[I-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dipotassium;diiodide</IUPAC_name></identification><comment>Gurvich,1982 pt1 p401 pt2 p427.</comment><reference>tpis82</reference><elements><element K="2" /><element I="2" /></elements><condensed>False</condensed><molecular_weight>0.33200554</molecular_weight><hf298.15>-418915.452</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-8.977752440e+03</a1><a2>-2.776460169e+01</a2><a3>1.011331014e+01</a3><a4>-2.508421994e-04</a4><a5>3.102352114e-07</a5><a6>-2.010096209e-10</a6><a7>5.304437150e-14</a7><b1>-5.326208390e+04</b1><b2>-1.032092509e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.179634729e+04</a1><a2>-4.724761550e-01</a2><a3>1.000040695e+01</a3><a4>-1.807689054e-07</a4><a5>4.320560970e-11</a5><a6>-5.259699430e-15</a6><a7>2.553419144e-19</a7><b1>-5.340210230e+04</b1><b2>-9.664440500e+00</b2></T_range></specie><specie inp_file_name="K2O"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1982 pt1 p377 pt2 p407.</comment><reference>tpis82</reference><elements><element K="2" /><element O="1" /></elements><condensed>False</condensed><molecular_weight>0.094196</molecular_weight><hf298.15>-74086.902</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>2.392044068e+04</a1><a2>-5.445358390e+02</a2><a3>8.826403230e+00</a3><a4>-3.481429430e-03</a4><a5>3.834542070e-06</a5><a6>-2.268494189e-09</a6><a7>5.569212250e-13</a7><b1>-8.234291680e+03</b1><b2>-1.663099064e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-4.611464580e+04</a1><a2>-1.363119524e+01</a2><a3>7.010530440e+00</a3><a4>-4.323658260e-06</a4><a5>9.747788420e-10</a5><a6>-1.135283694e-13</a6><a7>5.325860600e-18</a7><b1>-1.107222244e+04</b1><b2>-5.768718720e+00</b2></T_range></specie><specie inp_file_name="K2O+"><identification><InChIKey>CHWRSCGUEQEHOH-UHFFFAOYSA-N</InChIKey><canonical_smiles>[O-2].[K+].[K+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dipotassium;oxygen(2-)</IUPAC_name></identification><comment>Gurvich,1982 pt1 p379 pt2 p408.</comment><reference>tpis82</reference><elements><element K="2" /><element O="1" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.09419545139999999</molecular_weight><hf298.15>368390.321</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>7.201102730e+03</a1><a2>-3.336526400e+02</a2><a3>8.050730350e+00</a3><a4>-1.869353797e-03</a4><a5>1.921291874e-06</a5><a6>-1.064020951e-09</a6><a7>2.457514799e-13</a7><b1>4.389986360e+04</b1><b2>-1.073204150e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-3.780033500e+04</a1><a2>-8.849537390e+00</a2><a3>7.006847890e+00</a3><a4>-2.815510856e-06</a4><a5>6.355001500e-10</a5><a6>-7.408551990e-14</a6><a7>3.478334960e-18</a7><b1>4.214519680e+04</b1><b2>-4.418276610e+00</b2></T_range></specie><specie inp_file_name="K2O2"><identification><InChIKey>XXQBEVHPUKOQEO-UHFFFAOYSA-N</InChIKey><canonical_smiles>[O-][O-].[K+].[K+]</canonical_smiles><cas_number>17014-71-0</cas_number><IUPAC_name>dipotassium;peroxide</IUPAC_name></identification><comment>Gurvich,1982 pt1 p381 pt2 p410.</comment><reference>tpis82</reference><elements><element K="2" /><element O="2" /></elements><condensed>False</condensed><molecular_weight>0.11019540000000001</molecular_weight><hf298.15>-191566.301</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>4.810870610e+04</a1><a2>-1.003601504e+03</a2><a3>1.154229002e+01</a3><a4>-4.546332520e-04</a4><a5>-1.516606209e-06</a5><a6>1.799426090e-09</a6><a7>-6.128337290e-13</a7><b1>-2.057151920e+04</b1><b2>-3.181199790e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.476073073e+05</a1><a2>-1.021932040e+02</a2><a3>1.007664713e+01</a3><a4>-3.076517991e-05</a4><a5>6.815252810e-09</a5><a6>-7.828654450e-13</a6><a7>3.632506100e-17</a7><b1>-2.592056324e+04</b1><b2>-2.162287184e+01</b2></T_range></specie><specie inp_file_name="K2O2H2"><identification><InChIKey>ZHIBKFGOJQHNGU-UHFFFAOYSA-N</InChIKey><canonical_smiles>OO.[K+].[K+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dipotassium;hydrogen peroxide</IUPAC_name></identification><comment>Gurvich,1997.</comment><reference>g 9/97</reference><elements><element K="2" /><element O="2" /><element H="2" 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Tlow="6000.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.500000000e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>1.049698659e+04</b1><b2>1.754594332e+00</b2></T_range></specie><specie inp_file_name="LiAlF4"><identification><InChIKey>LPSHDNODGBKBOW-UHFFFAOYSA-J</InChIKey><canonical_smiles>[Li+].F[Al-](F)(F)F</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>lithium;tetrafluoroalumanuide</IUPAC_name></identification><comment>Gurvich,1982 pt1 p300 pt2 p333.</comment><reference>tpis82</reference><elements><element Li="1" /><element Al="1" /><element F="4" /></elements><condensed>False</condensed><molecular_weight>0.1099161508</molecular_weight><hf298.15>-1857287.824</hf298.15><T_range Thigh="1000.0" 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pt1 p275 pt2 p310.</comment><reference>tpis89</reference><elements><element Li="1" /><element F="1" /></elements><condensed>False</condensed><molecular_weight>0.025939403200000002</molecular_weight><hf298.15>-340944.894</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>2.912537320e+04</a1><a2>-2.531413159e+02</a2><a3>3.539727980e+00</a3><a4>3.695917040e-03</a4><a5>-4.829466150e-06</a5><a6>2.944090711e-09</a6><a7>-6.838794740e-13</a7><b1>-4.064849660e+04</b1><b2>2.325294408e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-3.784246490e+05</a1><a2>7.668062460e+02</a2><a3>3.585473400e+00</a3><a4>6.031084350e-04</a4><a5>-1.588764206e-07</a5><a6>2.569397177e-11</a6><a7>-1.406798386e-15</a7><b1>-4.756469450e+04</b1><b2>4.385163290e+00</b2></T_range></specie><specie 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Tlow="1000.0"><a1>-2.633686357e+06</a1><a2>6.996429170e+03</a2><a3>-3.233533060e+00</a3><a4>4.033935980e-03</a4><a5>-9.099579640e-07</a5><a6>8.775909870e-11</a6><a7>-2.889490251e-15</a7><b1>-2.990043016e+04</b1><b2>4.971984500e+01</b2></T_range></specie><specie inp_file_name="LiI"><identification><InChIKey>HSZCZNFXUDYRKD-UHFFFAOYSA-M</InChIKey><canonical_smiles>[Li+].[I-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>lithium;iodide</IUPAC_name></identification><comment>Gurvich,1982 pt1 p289 pt2 p322.</comment><reference>tpis82</reference><elements><element Li="1" /><element I="1" /></elements><condensed>False</condensed><molecular_weight>0.13384547</molecular_weight><hf298.15>-85269.888</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>4.071976370e+04</a1><a2>-6.667289470e+02</a2><a3>7.064257530e+00</a3><a4>-5.480041020e-03</a4><a5>6.905790160e-06</a5><a6>-4.537168520e-09</a6><a7>1.226373296e-12</a7><b1>-8.235487020e+03</b1><b2>-1.296236234e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.616342632e+06</a1><a2>-4.877717080e+03</a2><a3>9.987186550e+00</a3><a4>-2.889137815e-03</a4><a5>8.037313770e-07</a5><a6>-9.028172610e-11</a6><a7>3.078321954e-15</a7><b1>1.937718764e+04</b1><b2>-3.729276310e+01</b2></T_range></specie><specie inp_file_name="LiN"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Chase,1998 p1500.</comment><reference>j12/66</reference><elements><element Li="1" /><element N="1" /></elements><condensed>False</condensed><molecular_weight>0.0209477</molecular_weight><hf298.15>334720.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>3.764959200e+04</a1><a2>-4.883457630e+02</a2><a3>5.187373450e+00</a3><a4>2.275252171e-04</a4><a5>-1.416337564e-06</a5><a6>1.450236258e-09</a6><a7>-4.790014330e-13</a7><b1>4.161915310e+04</b1><b2>-5.952157244e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-5.993489980e+04</a1><a2>-4.031134550e+01</a2><a3>4.529624210e+00</a3><a4>8.744156930e-05</a4><a5>2.557428364e-09</a5><a6>-2.905751800e-13</a6><a7>1.336125922e-17</a7><b1>3.894831130e+04</b1><b2>-1.214952896e+00</b2></T_range></specie><specie inp_file_name="LiNO2"><identification><InChIKey>IDNHOWMYUQKKTI-UHFFFAOYSA-M</InChIKey><canonical_smiles>[Li+].N(=O)[O-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>lithium;nitrite</IUPAC_name></identification><comment>Gurvich,1982 pt1 p294 pt2 p327.</comment><reference>tpis82</reference><elements><element Li="1" /><element N="1" /><element O="2" /></elements><condensed>False</condensed><molecular_weight>0.0529465</molecular_weight><hf298.15>-202031.208</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-3.133773859e+04</a1><a2>5.389940810e+02</a2><a3>-2.059877081e-02</a3><a4>2.610777454e-02</a4><a5>-3.209235040e-05</a5><a6>1.974344044e-08</a6><a7>-4.892199160e-12</a7><b1>-2.838214963e+04</b1><b2>2.710019529e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.196671160e+05</a1><a2>-8.610042710e+02</a2><a3>1.063956465e+01</a3><a4>-2.554392587e-04</a4><a5>5.644478540e-08</a5><a6>-6.476140050e-12</a6><a7>3.003536591e-16</a7><b1>-2.313547535e+04</b1><b2>-3.238277103e+01</b2></T_range></specie><specie inp_file_name="LiNO3"><identification><InChIKey>IIPYXGDZVMZOAP-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Li+].[N+](=O)([O-])[O-]</canonical_smiles><cas_number>7790-69-4</cas_number><IUPAC_name>lithium;nitrate</IUPAC_name></identification><comment>Gurvich,1982 pt1 p296 pt2 p329.</comment><reference>tpis82</reference><elements><element Li="1" /><element N="1" /><element O="3" /></elements><condensed>False</condensed><molecular_weight>0.06894589999999999</molecular_weight><hf298.15>-311584.675</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.967205518e+04</a1><a2>9.052795260e+01</a2><a3>-5.109770400e-01</a3><a4>3.756605950e-02</a4><a5>-4.782738650e-05</a5><a6>3.029277805e-08</a6><a7>-7.708013150e-12</a7><b1>-3.907563990e+04</b1><b2>2.746873033e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-3.559402450e+05</a1><a2>-1.447644737e+03</a2><a3>1.406684061e+01</a3><a4>-4.236371280e-04</a4><a5>9.320824510e-08</a5><a6>-1.065894872e-11</a6><a7>4.930780620e-16</a7><b1>-3.434827460e+04</b1><b2>-5.275382697e+01</b2></T_range></specie><specie inp_file_name="LiO"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1982 pt1 p256 pt2 p294.</comment><reference>tpis82</reference><elements><element Li="1" /><element O="1" /></elements><condensed>False</condensed><molecular_weight>0.0229404</molecular_weight><hf298.15>72914.313</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>3.627029760e+04</a1><a2>-3.499363230e+02</a2><a3>4.394933180e+00</a3><a4>1.079712984e-03</a4><a5>-8.724038810e-07</a5><a6>5.607962970e-10</a6><a7>-2.054288457e-13</a7><b1>9.533330530e+03</b1><b2>-9.058149610e-01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.612392133e+06</a1><a2>-5.551312340e+03</a2><a3>1.120573851e+01</a3><a4>-3.437226880e-03</a4><a5>9.133194660e-07</a5><a6>-1.027902258e-10</a6><a7>3.822991000e-15</a7><b1>4.201575470e+04</b1><b2>-4.857354580e+01</b2></T_range></specie><specie inp_file_name="LiOF"><identification><InChIKey>WYWLSUBVZXKJGO-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Li+].[O-]F</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>lithium;hypofluorite</IUPAC_name></identification><comment>Chase,1998 p1069.</comment><reference>j 9/65</reference><elements><element Li="1" /><element O="1" /><element F="1" /></elements><condensed>False</condensed><molecular_weight>0.0419388032</molecular_weight><hf298.15>-92048.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>5.510110690e+04</a1><a2>-5.770688170e+02</a2><a3>4.424954930e+00</a3><a4>1.102425422e-02</a4><a5>-1.710493381e-05</a5><a6>1.234361201e-08</a6><a7>-3.453693000e-12</a7><b1>-9.278986980e+03</b1><b2>1.238830687e-01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.833563281e+05</a1><a2>-2.110049301e+02</a2><a3>7.156818170e+00</a3><a4>-6.249462010e-05</a4><a5>1.376567002e-08</a5><a6>-1.574099067e-12</a6><a7>7.277167140e-17</a7><b1>-1.254530277e+04</b1><b2>-1.272130479e+01</b2></T_range></specie><specie inp_file_name="LiOH"><identification><InChIKey>WMFOQBRAJBCJND-UHFFFAOYSA-M</InChIKey><canonical_smiles>[Li+].[OH-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>lithium;hydroxide</IUPAC_name></identification><comment>Gurvich,1996b.</comment><reference>g12/96</reference><elements><element Li="1" /><element O="1" /><element H="1" /></elements><condensed>False</condensed><molecular_weight>0.023948340000000002</molecular_weight><hf298.15>-229000.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>4.574190120e+03</a1><a2>-1.030949027e+02</a2><a3>4.272407370e+00</a3><a4>8.465219230e-03</a4><a5>-1.386148524e-05</a5><a6>1.101099795e-08</a6><a7>-3.291248210e-12</a7><b1>-2.848728855e+04</b1><b2>-8.775745780e-01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>8.500751370e+05</a1><a2>-2.430540791e+03</a2><a3>8.055314620e+00</a3><a4>6.895680880e-05</a4><a5>-5.527207460e-08</a5><a6>9.368054030e-12</a6><a7>-5.313785680e-16</a7><b1>-1.365894396e+04</b1><b2>-2.457598093e+01</b2></T_range></specie><specie inp_file_name="LiON"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Chase,1998 p1501.</comment><reference>j 9/66</reference><elements><element Li="1" /><element O="1" /><element N="1" /></elements><condensed>False</condensed><molecular_weight>0.0369471</molecular_weight><hf298.15>179912.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-9.412672670e+03</a1><a2>1.009332300e+02</a2><a3>3.006187607e+00</a3><a4>9.890462200e-03</a4><a5>-1.128294343e-05</a5><a6>6.410291740e-09</a6><a7>-1.466806373e-12</a7><b1>1.978348318e+04</b1><b2>1.016334813e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-9.740629140e+04</a1><a2>-5.111560940e+02</a2><a3>7.378493870e+00</a3><a4>-1.508777884e-04</a4><a5>3.329914980e-08</a5><a6>-3.817514290e-12</a6><a7>1.769558455e-16</a7><b1>2.211006635e+04</b1><b2>-1.454105040e+01</b2></T_range></specie><specie inp_file_name="Li2"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Chase,1998 p1505.</comment><reference>j12/83</reference><elements><element Li="2" /></elements><condensed>False</condensed><molecular_weight>0.013882</molecular_weight><hf298.15>215900.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>6.778481580e+03</a1><a2>-2.246205832e+02</a2><a3>5.296037440e+00</a3><a4>-1.272412017e-03</a4><a5>1.205843729e-06</a5><a6>-9.818544590e-11</a6><a7>-2.416702607e-13</a7><b1>2.573638186e+04</b1><b2>-6.869257580e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>3.767645400e+07</a1><a2>-1.185747185e+05</a2><a3>1.482167789e+02</a3><a4>-8.378532110e-02</a4><a5>2.424919798e-05</a5><a6>-3.275820240e-09</a6><a7>1.652000081e-13</a7><b1>7.723072010e+05</b1><b2>-1.021697298e+03</b2></T_range></specie><specie inp_file_name="Li2+"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1982 pt1 p249 pt2 p292.</comment><reference>tpis82</reference><elements><element Li="2" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.0138814514</molecular_weight><hf298.15>721611.420</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>-1.040056453e+04</a1><a2>2.675405642e+01</a2><a3>4.247271750e+00</a3><a4>1.057450777e-03</a4><a5>-1.281715096e-06</a5><a6>1.067477239e-09</a6><a7>-2.759413508e-13</a7><b1>8.529811310e+04</b1><b2>5.298189960e-01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.279931073e+07</a1><a2>-3.492861390e+04</a2><a3>3.844785360e+01</a3><a4>-1.380635397e-02</a4><a5>2.531394250e-06</a5><a6>-2.197815991e-10</a6><a7>7.087669250e-15</a7><b1>3.117964450e+05</b1><b2>-2.509543641e+02</b2></T_range></specie><specie inp_file_name="Li2Br2"><identification><InChIKey>NVWLBLGBBDQHRZ-UHFFFAOYSA-L</InChIKey><canonical_smiles>[Li+].[Li+].[Br-].[Br-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dilithium;dibromide</IUPAC_name></identification><comment>Gurvich,1982 pt1 p286 pt2 p319.</comment><reference>tpis82</reference><elements><element Li="2" /><element Br="2" /></elements><condensed>False</condensed><molecular_weight>0.17369</molecular_weight><hf298.15>-495833.524</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>2.786312863e+04</a1><a2>-1.005641437e+03</a2><a3>1.370963066e+01</a3><a4>-7.633663300e-03</a4><a5>8.942905920e-06</a5><a6>-5.561135090e-09</a6><a7>1.421736784e-12</a7><b1>-5.762845840e+04</b1><b2>-4.121843760e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-8.900983360e+04</a1><a2>-1.988916335e+01</a2><a3>1.001596418e+01</a3><a4>-6.749134050e-06</a4><a5>1.556299963e-09</a5><a6>-1.844693069e-13</a6><a7>8.774879920e-18</a7><b1>-6.279989960e+04</b1><b2>-1.943063525e+01</b2></T_range></specie><specie inp_file_name="Li2Cl2"><identification><InChIKey>ZSYZSZTWBOHQQK-UHFFFAOYSA-L</InChIKey><canonical_smiles>[Li+].[Li+].[Cl-].[Cl-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dilithium;dichloride</IUPAC_name></identification><comment>Gurvich,1982 pt1 p282 pt2 p315.</comment><reference>tpis82</reference><elements><element Li="2" /><element Cl="2" /></elements><condensed>False</condensed><molecular_weight>0.084788</molecular_weight><hf298.15>-597538.789</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>5.313398610e+04</a1><a2>-1.427266759e+03</a2><a3>1.512410161e+01</a3><a4>-1.032824906e-02</a4><a5>1.190773317e-05</a5><a6>-7.312991160e-09</a6><a7>1.851289430e-12</a7><b1>-6.769860400e+04</b1><b2>-5.285131549e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.179571272e+05</a1><a2>-3.027126342e+01</a2><a3>1.002397711e+01</a3><a4>-1.003660907e-05</a4><a5>2.297007564e-09</a5><a6>-2.706930258e-13</a6><a7>1.281817017e-17</a7><b1>-7.506822590e+04</b1><b2>-2.264970230e+01</b2></T_range></specie><specie inp_file_name="Li2F2"><identification><InChIKey>RKLWISLCSWAWJI-UHFFFAOYSA-L</InChIKey><canonical_smiles>[Li+].[Li+].[F-].[F-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dilithium;difluoride</IUPAC_name></identification><comment>Gurvich,1982 pt1 p276 pt2 p311.</comment><reference>tpis82</reference><elements><element Li="2" /><element F="2" /></elements><condensed>False</condensed><molecular_weight>0.051878806400000005</molecular_weight><hf298.15>-935323.076</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.443166185e+05</a1><a2>-2.466874678e+03</a2><a3>1.702863290e+01</a3><a4>-1.145541210e-02</a4><a5>1.086098792e-05</a5><a6>-5.569754280e-09</a6><a7>1.193819664e-12</a7><b1>-1.026070133e+05</b1><b2>-7.000386610e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.188931683e+05</a1><a2>-9.259814530e+01</a2><a3>1.006970757e+01</a3><a4>-2.803632163e-05</a4><a5>6.217549520e-09</a5><a6>-7.146267020e-13</a6><a7>3.316857300e-17</a7><b1>-1.156611527e+05</b1><b2>-2.729853181e+01</b2></T_range></specie><specie inp_file_name="Li2I2"><identification><InChIKey>CYAAFQUAQACSRX-UHFFFAOYSA-L</InChIKey><canonical_smiles>[Li+].[Li+].[I-].[I-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dilithium;diiodide</IUPAC_name></identification><comment>Gurvich,1982 pt1 p290 pt2 p323.</comment><reference>tpis82</reference><elements><element Li="2" /><element I="2" /></elements><condensed>False</condensed><molecular_weight>0.26769094</molecular_weight><hf298.15>-362801.349</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.014872266e+04</a1><a2>-7.120421010e+02</a2><a3>1.270392960e+01</a3><a4>-5.685536810e-03</a4><a5>6.770340380e-06</a5><a6>-4.263304890e-09</a6><a7>1.100658186e-12</a7><b1>-4.313063860e+04</b1><b2>-3.303950980e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-6.973587060e+04</a1><a2>-1.316825508e+01</a2><a3>1.001074855e+01</a3><a4>-4.600203780e-06</a4><a5>1.070510527e-09</a5><a6>-1.277717768e-13</a6><a7>6.110612240e-18</a7><b1>-4.677470050e+04</b1><b2>-1.721894034e+01</b2></T_range></specie><specie inp_file_name="Li2O"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1982 pt1 p259 pt2 p296.</comment><reference>tpis82</reference><elements><element Li="2" /><element O="1" /></elements><condensed>False</condensed><molecular_weight>0.0298814</molecular_weight><hf298.15>-167338.920</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>2.636601597e+04</a1><a2>-1.798629279e+02</a2><a3>4.051115220e+00</a3><a4>1.189981375e-02</a4><a5>-1.730095793e-05</a5><a6>1.205584550e-08</a6><a7>-3.292733880e-12</a7><b1>-2.061907963e+04</b1><b2>1.605995610e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>7.261487040e+05</a1><a2>-9.543783720e+03</a2><a3>2.887491643e+01</a3><a4>-1.959494099e-02</a4><a5>8.086339840e-06</a5><a6>-1.370211764e-09</a6><a7>8.111727190e-14</a7><b1>2.990726399e+04</b1><b2>-1.564517822e+02</b2></T_range></specie><specie inp_file_name="Li2O+"><identification><InChIKey>FUJCRWPEOMXPAD-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Li+].[Li+].[O-2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dilithium;oxygen(2-)</IUPAC_name></identification><comment>Gurvich,1982 pt1 p260 pt2 p297.</comment><reference>tpis82</reference><elements><element Li="2" /><element O="1" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.029880851400000002</molecular_weight><hf298.15>439095.089</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>1.081044623e+05</a1><a2>-1.261961355e+03</a2><a3>9.692011290e+00</a3><a4>-1.793477428e-03</a4><a5>3.380326900e-07</a5><a6>4.143395150e-10</a6><a7>-1.990530222e-13</a7><b1>5.754976040e+04</b1><b2>-2.915719946e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.302166086e+05</a1><a2>-1.466759528e+02</a2><a3>7.610729450e+00</a3><a4>-4.469426690e-05</a4><a5>9.947160640e-09</a5><a6>-1.147038806e-12</a6><a7>5.339241470e-17</a7><b1>5.098762310e+04</b1><b2>-1.528011047e+01</b2></T_range></specie><specie inp_file_name="Li2O2"><identification><InChIKey>LVMOAPBZKPBVSU-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Li].[Li+].[O-][O-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>lithium;lithium;peroxide</IUPAC_name></identification><comment>Gurvich,1982 pt1 p262 pt2 p299.</comment><reference>tpis82</reference><elements><element Li="2" /><element O="2" /></elements><condensed>False</condensed><molecular_weight>0.0458808</molecular_weight><hf298.15>-279397.988</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.392619730e+05</a1><a2>-1.764036747e+03</a2><a3>1.029649198e+01</a3><a4>7.605949950e-03</a4><a5>-1.538519312e-05</a5><a6>1.238199941e-08</a6><a7>-3.685431570e-12</a7><b1>-2.638056746e+04</b1><b2>-3.437710560e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.939232153e+05</a1><a2>-2.359107937e+02</a2><a3>1.017463402e+01</a3><a4>-6.931624360e-05</a4><a5>1.521202834e-08</a5><a6>-1.733841909e-12</a6><a7>7.993154620e-17</a7><b1>-3.618481910e+04</b1><b2>-2.904221044e+01</b2></T_range></specie><specie inp_file_name="Li2O2H2"><identification><InChIKey>MHFMYGHRYRSFIG-UHFFFAOYSA-L</InChIKey><canonical_smiles>[Li+].[Li+].[OH-].[OH-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dilithium;dihydroxide</IUPAC_name></identification><comment>Gurvich,1996b.</comment><reference>g12/96</reference><elements><element Li="2" /><element O="2" /><element H="2" /></elements><condensed>False</condensed><molecular_weight>0.047896680000000004</molecular_weight><hf298.15>-737000.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.894413579e+05</a1><a2>-2.779117524e+03</a2><a3>1.530234911e+01</a3><a4>1.070738317e-02</a4><a5>-2.510075145e-05</a5><a6>2.224910575e-08</a6><a7>-6.949359580e-12</a7><b1>-7.702776920e+04</b1><b2>-6.514116940e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.215377492e+06</a1><a2>-3.982057440e+03</a2><a3>1.585877373e+01</a3><a4>7.509145680e-04</a4><a5>-2.585218184e-07</a5><a6>3.646841700e-11</a6><a7>-1.904139406e-15</a7><b1>-6.738748380e+04</b1><b2>-6.647208400e+01</b2></T_range></specie><specie inp_file_name="Li2SO4"><identification><InChIKey>INHCSSUBVCNVSK-UHFFFAOYSA-L</InChIKey><canonical_smiles>[Li+].[Li+].[O-]S(=O)(=O)[O-]</canonical_smiles><cas_number>10377-48-7</cas_number><IUPAC_name>dilithium;sulfate</IUPAC_name></identification><comment>Chase,1998 p1522.</comment><reference>j12/78</reference><elements><element Li="2" /><element S="1" /><element O="4" /></elements><condensed>False</condensed><molecular_weight>0.10994459999999999</molecular_weight><hf298.15>-1041816.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.006318702e+05</a1><a2>-1.543457217e+03</a2><a3>9.670054910e+00</a3><a4>3.390757380e-02</a4><a5>-4.823483810e-05</a5><a6>3.267368920e-08</a6><a7>-8.702518510e-12</a7><b1>-1.201939538e+05</b1><b2>-2.911716635e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-6.038750870e+05</a1><a2>-1.064550976e+03</a2><a3>1.979557349e+01</a3><a4>-3.188978250e-04</a4><a5>7.062411120e-08</a5><a6>-8.114439070e-12</a6><a7>3.766830210e-16</a7><b1>-1.268908595e+05</b1><b2>-8.014316674e+01</b2></T_range></specie><specie inp_file_name="Li3+"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1982 pt1 p251 pt2 p293.</comment><reference>tpis82</reference><elements><element Li="3" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.020822451399999997</molecular_weight><hf298.15>756590.836</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>-6.873222290e+03</a1><a2>-2.820780467e+02</a2><a3>7.922697480e+00</a3><a4>-1.687949474e-03</a4><a5>1.771718993e-06</a5><a6>-9.972535400e-10</a6><a7>2.332934849e-13</a7><b1>9.027963650e+04</b1><b2>-1.619319856e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-4.355098060e+04</a1><a2>-6.056432750e+00</a2><a3>7.004722890e+00</a3><a4>-1.953320933e-06</a4><a5>4.429152230e-10</a5><a6>-5.181983190e-14</a6><a7>2.439894871e-18</a7><b1>8.879902870e+04</b1><b2>-1.066880792e+01</b2></T_range></specie><specie inp_file_name="Li3Br3"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1982 pt1 p287 pt2 p320.</comment><reference>tpis82</reference><elements><element Li="3" /><element Br="3" /></elements><condensed>False</condensed><molecular_weight>0.260535</molecular_weight><hf298.15>-824639.193</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>6.431966250e+04</a1><a2>-1.823743601e+03</a2><a3>2.243492856e+01</a3><a4>-1.279418260e-02</a4><a5>1.459200355e-05</a5><a6>-8.884688150e-09</a6><a7>2.233708050e-12</a7><b1>-9.480677670e+04</b1><b2>-8.206864420e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.584670201e+05</a1><a2>-4.041360940e+01</a2><a3>1.603177633e+01</a3><a4>-1.322713911e-05</a4><a5>3.014221791e-09</a5><a6>-3.540292160e-13</a6><a7>1.672030783e-17</a7><b1>-1.042470448e+05</b1><b2>-4.405478160e+01</b2></T_range></specie><specie inp_file_name="Li3Cl3"><identification><InChIKey>CNQDVAWRPXCHEG-UHFFFAOYSA-K</InChIKey><canonical_smiles>[Li+].[Li+].[Li+].[Cl-].[Cl-].[Cl-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>trilithium;trichloride</IUPAC_name></identification><comment>Gurvich,1982 pt1 p283 pt2 p316.</comment><reference>tpis82</reference><elements><element Li="3" /><element Cl="3" /></elements><condensed>False</condensed><molecular_weight>0.127182</molecular_weight><hf298.15>-976107.121</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>9.867429000e+04</a1><a2>-2.324074851e+03</a2><a3>2.378484564e+01</a3><a4>-1.483522400e-02</a4><a5>1.634495612e-05</a5><a6>-9.675366520e-09</a6><a7>2.377033859e-12</a7><b1>-1.103839177e+05</b1><b2>-9.474114379e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.005930356e+05</a1><a2>-5.939400190e+01</a2><a3>1.604590929e+01</a3><a4>-1.885890854e-05</a4><a5>4.253517370e-09</a5><a6>-4.955560940e-13</a6><a7>2.325408214e-17</a7><b1>-1.224927071e+05</b1><b2>-4.844413629e+01</b2></T_range></specie><specie inp_file_name="Li3F3"><identification><InChIKey>WTUYVMCQYIBIKQ-UHFFFAOYSA-K</InChIKey><canonical_smiles>[Li+].[Li+].[Li+].[F-].[F-].[F-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>trilithium;trifluoride</IUPAC_name></identification><comment>Gurvich,1982 pt1 p278 pt2 p312.</comment><reference>tpis82</reference><elements><element Li="3" /><element F="3" /></elements><condensed>False</condensed><molecular_weight>0.07781820960000001</molecular_weight><hf298.15>-1524596.926</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.823874443e+05</a1><a2>-3.163786240e+03</a2><a3>2.287811928e+01</a3><a4>-7.544903890e-03</a4><a5>3.446790230e-06</a5><a6>2.690705228e-10</a6><a7>-5.250840960e-13</a7><b1>-1.712446093e+05</b1><b2>-9.973654990e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-3.618664990e+05</a1><a2>-1.937051395e+02</a2><a3>1.614457133e+01</a3><a4>-5.775628500e-05</a4><a5>1.274057038e-08</a5><a6>-1.458168875e-12</a6><a7>6.744850030e-17</a7><b1>-1.882081974e+05</b1><b2>-5.633612880e+01</b2></T_range></specie><specie inp_file_name="Li3I3"><identification><InChIKey>LVQYTQXTKGUKGW-UHFFFAOYSA-K</InChIKey><canonical_smiles>[Li+].[Li+].[Li+].[I-].[I-].[I-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>trilithium;triiodide</IUPAC_name></identification><comment>Gurvich,1982 pt1 p290 pt2 p324.</comment><reference>tpis82</reference><elements><element Li="3" /><element I="3" /></elements><condensed>False</condensed><molecular_weight>0.40153641</molecular_weight><hf298.15>-612457.307</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>3.611764690e+04</a1><a2>-1.392033487e+03</a2><a3>2.110791892e+01</a3><a4>-1.046866587e-02</a4><a5>1.222589173e-05</a5><a6>-7.584135430e-09</a6><a7>1.935199180e-12</a7><b1>-7.153084580e+04</b1><b2>-7.093882030e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.266696511e+05</a1><a2>-2.783891914e+01</a2><a3>1.602228068e+01</a3><a4>-9.399364930e-06</a4><a5>2.163919735e-09</a5><a6>-2.561731922e-13</a6><a7>1.217394107e-17</a7><b1>-7.869550680e+04</b1><b2>-4.091724060e+01</b2></T_range></specie><specie inp_file_name="Mg"><identification><InChIKey>JLVVSXFLKOJNIY-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Mg+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>magnesium(2+)</IUPAC_name></identification><comment>Hf:Cox,1989. Kaufman,1991a. Gordon,1999.</comment><reference>g 6/97</reference><elements><element Mg="1" /></elements><condensed>False</condensed><molecular_weight>0.024305</molecular_weight><hf298.15>147100.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.500000000e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>1.694658761e+04</b1><b2>3.634330140e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-5.364831550e+05</a1><a2>1.973709576e+03</a2><a3>-3.633776900e-01</a3><a4>2.071795561e-03</a4><a5>-7.738051720e-07</a5><a6>1.359277788e-10</a6><a7>-7.766898397e-15</a7><b1>4.829188110e+03</b1><b2>2.339104998e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>2.166012586e+09</a1><a2>-1.008355665e+06</a2><a3>1.619680021e+02</a3><a4>-8.790130350e-03</a4><a5>-1.925690961e-08</a5><a6>1.725045214e-11</a6><a7>-4.234946112e-16</a7><b1>8.349525900e+06</b1><b2>-1.469355261e+03</b2></T_range></specie><specie inp_file_name="Mg+"><identification><InChIKey>FYYHWMGAXLPEAU-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Mg]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>magnesium</IUPAC_name></identification><comment>Kaufman,1991a. Gordon,1999.</comment><reference>g 6/97</reference><elements><element Mg="1" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.024304451400000003</molecular_weight><hf298.15>891047.000</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.500000000e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>1.064223354e+05</b1><b2>4.327443460e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.914758821e+04</a1><a2>4.877347920e+01</a2><a3>2.457662661e+00</a3><a4>1.218104674e-05</a4><a5>1.897261686e-09</a5><a6>-1.580433756e-12</a6><a7>2.135732238e-16</a7><b1>1.061022394e+05</b1><b2>4.646442860e+00</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>4.015949550e+08</a1><a2>-2.281591735e+05</a2><a3>5.421745710e+01</a3><a4>-5.983017190e-03</a4><a5>3.657189130e-07</a5><a6>-1.020737688e-11</a6><a7>1.024202854e-16</a7><b1>1.932463961e+06</b1><b2>-4.480157830e+02</b2></T_range></specie><specie inp_file_name="MgBr"><identification><InChIKey>QINUQMKKKJWFBE-UHFFFAOYSA-M</InChIKey><canonical_smiles>[Mg+2].[Br-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>magnesium;bromide</IUPAC_name></identification><comment>Gurvich,1996a pt1 p417 pt2 p331.</comment><reference>tpis96</reference><elements><element Mg="1" /><element Br="1" /></elements><condensed>False</condensed><molecular_weight>0.10420900000000001</molecular_weight><hf298.15>6163.315</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>7.361419140e+03</a1><a2>-2.395789881e+02</a2><a3>5.360560420e+00</a3><a4>-1.667141829e-03</a4><a5>1.981137765e-06</a5><a6>-1.201637202e-09</a6><a7>3.032148099e-13</a7><b1>5.915634440e+02</b1><b2>-1.421771179e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>2.477604216e+04</a1><a2>-6.417687520e+02</a2><a3>6.019932090e+00</a3><a4>-1.391004302e-03</a4><a5>6.443330960e-07</a5><a6>-1.197734078e-10</a6><a7>7.421644240e-15</a7><b1>2.824060334e+03</b1><b2>-6.264439920e+00</b2></T_range></specie><specie inp_file_name="MgBr2"><identification><InChIKey>OTCKOJUMXQWKQG-UHFFFAOYSA-L</InChIKey><canonical_smiles>[Mg+2].[Br-].[Br-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>magnesium;dibromide</IUPAC_name></identification><comment>Gurvich,1996a pt1 p420 pt2 p333.</comment><reference>tpis96</reference><elements><element Mg="1" /><element Br="2" /></elements><condensed>False</condensed><molecular_weight>0.184113</molecular_weight><hf298.15>-306743.219</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>2.148477999e+04</a1><a2>-5.154528900e+02</a2><a3>9.273258750e+00</a3><a4>-3.470049040e-03</a4><a5>3.921840790e-06</a5><a6>-2.377174864e-09</a6><a7>5.967025560e-13</a7><b1>-3.652443850e+04</b1><b2>-1.791077763e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-4.326899010e+04</a1><a2>-1.283036001e+01</a2><a3>7.510024300e+00</a3><a4>-4.152332400e-06</a4><a5>9.426499180e-10</a5><a6>-1.103873928e-13</a6><a7>5.201104310e-18</a7><b1>-3.919886020e+04</b1><b2>-7.409168030e+00</b2></T_range></specie><specie inp_file_name="MgCl"><identification><InChIKey>UMLYWWAZKXNCCM-UHFFFAOYSA-M</InChIKey><canonical_smiles>[Mg+2].[Cl-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>magnesium;chloride</IUPAC_name></identification><comment>Gurvich,1996a pt1 p412 pt2 p328.</comment><reference>tpis96</reference><elements><element Mg="1" /><element Cl="1" /></elements><condensed>False</condensed><molecular_weight>0.059758000000000006</molecular_weight><hf298.15>-54704.887</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>2.043995280e+04</a1><a2>-4.072155160e+02</a2><a3>5.880372300e+00</a3><a4>-2.594175042e-03</a4><a5>2.945953528e-06</a5><a6>-1.750648628e-09</a6><a7>4.337959330e-13</a7><b1>-5.851444950e+03</b1><b2>-6.023545750e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.041328453e+06</a1><a2>-3.380158330e+03</a2><a3>8.637775470e+00</a3><a4>-2.447789643e-03</a4><a5>7.841969440e-07</a5><a6>-1.126409380e-10</a6><a7>5.810620730e-15</a7><b1>1.327188977e+04</b1><b2>-2.703802395e+01</b2></T_range></specie><specie inp_file_name="MgCl+"><identification><InChIKey>UMLYWWAZKXNCCM-UHFFFAOYSA-M</InChIKey><canonical_smiles>[Mg+2].[Cl-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>magnesium;chloride</IUPAC_name></identification><comment>Chase,1998 p786 6/68.</comment><reference>g 1/01</reference><elements><element Mg="1" /><element Cl="1" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.0597574514</molecular_weight><hf298.15>646339.332</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>8.182385120e+03</a1><a2>-2.622253760e+02</a2><a3>5.419863430e+00</a3><a4>-1.774129606e-03</a4><a5>2.185811127e-06</a5><a6>-1.418143432e-09</a6><a7>3.918898580e-13</a7><b1>7.770403710e+04</b1><b2>-3.780938840e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.268391921e+07</a1><a2>3.478824540e+04</a2><a3>-3.004222950e+01</a3><a4>1.481739497e-02</a4><a5>-2.470965605e-06</a5><a6>1.424433718e-10</a6><a7>2.789613105e-16</a7><b1>-1.487013740e+05</b1><b2>2.552015117e+02</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>1.382463416e+08</a1><a2>-6.324735630e+04</a2><a3>2.090164490e+01</a3><a4>-1.924320270e-03</a4><a5>1.303442285e-07</a5><a6>-4.354246510e-12</a6><a7>5.852012920e-17</a7><b1>5.856144100e+05</b1><b2>-1.379609224e+02</b2></T_range></specie><specie inp_file_name="MgCl2"><identification><InChIKey>TWRXJAOTZQYOKJ-UHFFFAOYSA-L</InChIKey><canonical_smiles>[Mg+2].[Cl-].[Cl-]</canonical_smiles><cas_number>7786-30-3</cas_number><IUPAC_name>magnesium;dichloride</IUPAC_name></identification><comment>Gurvich,1996a pt1 p416 pt2 p330.</comment><reference>tpis96</reference><elements><element Mg="1" /><element Cl="2" /></elements><condensed>False</condensed><molecular_weight>0.095211</molecular_weight><hf298.15>-399169.896</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>3.637824680e+04</a1><a2>-7.307844960e+02</a2><a3>9.661030510e+00</a3><a4>-3.660212940e-03</a4><a5>3.610819350e-06</a5><a6>-1.928769286e-09</a6><a7>4.309912350e-13</a7><b1>-4.646914570e+04</b1><b2>-2.360112274e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-6.835217010e+04</a1><a2>-2.490899393e+01</a2><a3>7.518783200e+00</a3><a4>-7.564518260e-06</a4><a5>1.679293770e-09</a5><a6>-1.931706275e-13</a6><a7>8.971657820e-18</a7><b1>-5.032686910e+04</b1><b2>-1.053268382e+01</b2></T_range></specie><specie inp_file_name="MgF"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1996a pt1 p408 pt2 p325.</comment><reference>tpis96</reference><elements><element Mg="1" /><element F="1" /></elements><condensed>False</condensed><molecular_weight>0.0433034032</molecular_weight><hf298.15>-232266.792</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>3.823001620e+04</a1><a2>-4.803310390e+02</a2><a3>5.068468940e+00</a3><a4>5.212029300e-04</a4><a5>-1.874026347e-06</a5><a6>1.759241129e-09</a6><a7>-5.609403190e-13</a7><b1>-2.659114296e+04</b1><b2>-3.768969210e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.695883782e+05</a1><a2>3.588757630e+02</a2><a3>3.936001650e+00</a3><a4>4.813044140e-04</a4><a5>-1.658385409e-07</a5><a6>3.336052290e-11</a6><a7>-2.270104205e-15</a7><b1>-3.169323990e+04</b1><b2>4.410565900e+00</b2></T_range></specie><specie inp_file_name="MgF+"><identification><InChIKey>IVKQCNNOVDWFRO-UHFFFAOYSA-M</InChIKey><canonical_smiles>[F-].[Mg+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>magnesium;fluoride</IUPAC_name></identification><comment>Chase,1998 p1071 12/75.</comment><reference>g 2/01</reference><elements><element Mg="1" /><element F="1" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.0433028546</molecular_weight><hf298.15>516867.775</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>6.413293840e+05</a1><a2>-8.518532610e+03</a2><a3>4.814216910e+01</a3><a4>-1.163071535e-01</a4><a5>1.622560562e-04</a5><a6>-1.063484590e-07</a6><a7>2.634809398e-11</a7><b1>1.024308480e+05</b1><b2>-2.450074295e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.056852362e+07</a1><a2>2.077122379e+04</a2><a3>-6.119523560e+00</a3><a4>2.245834831e-03</a4><a5>-9.515738610e-08</a5><a6>-2.263502341e-11</a6><a7>2.284524246e-15</a7><b1>-8.331549880e+04</b1><b2>8.727102380e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>5.735804460e+07</a1><a2>-2.157378345e+04</a2><a3>6.572317550e+00</a3><a4>1.887605214e-04</a4><a5>-1.860864600e-08</a5><a6>6.862191460e-13</a6><a7>-8.597821080e-18</a7><b1>2.477615733e+05</b1><b2>-1.922750114e+01</b2></T_range></specie><specie inp_file_name="MgF2"><identification><InChIKey>ORUIBWPALBXDOA-UHFFFAOYSA-L</InChIKey><canonical_smiles>[F-].[F-].[Mg+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>magnesium;difluoride</IUPAC_name></identification><comment>Gurvich,1996a pt1 p411 pt2 p327.</comment><reference>tpis96</reference><elements><element Mg="1" /><element F="2" /></elements><condensed>False</condensed><molecular_weight>0.0623018064</molecular_weight><hf298.15>-735498.060</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>4.338429550e+04</a1><a2>-6.616511770e+02</a2><a3>7.453448520e+00</a3><a4>3.520814050e-03</a4><a5>-6.955764580e-06</a5><a6>5.619923480e-09</a6><a7>-1.688028906e-12</a7><b1>-8.687183670e+04</b1><b2>-1.545476790e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.244419584e+05</a1><a2>-8.687343750e+01</a2><a3>7.563581230e+00</a3><a4>-2.499267978e-05</a4><a5>5.440129140e-09</a5><a6>-6.158245760e-13</a6><a7>2.822792666e-17</a7><b1>-9.060019440e+04</b1><b2>-1.420796990e+01</b2></T_range></specie><specie inp_file_name="MgF2+"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Chase,1998 p1122 12/75.</comment><reference>g 2/01</reference><elements><element Mg="1" /><element F="2" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.0623012578</molecular_weight><hf298.15>582692.164</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>7.832220260e+04</a1><a2>-1.176632752e+03</a2><a3>1.025829767e+01</a3><a4>-3.755272890e-03</a4><a5>3.016621585e-06</a5><a6>-1.327098871e-09</a6><a7>2.465289749e-13</a7><b1>7.413228550e+04</b1><b2>-2.990883551e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.502316870e+05</a1><a2>7.725289560e+01</a2><a3>7.271569360e+00</a3><a4>2.237529770e-04</a4><a5>-1.003070865e-07</a5><a6>1.996274309e-11</a6><a7>-1.233278721e-15</a7><b1>6.699117500e+04</b1><b2>-1.094528006e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>2.601903911e+07</a1><a2>-5.388879260e+03</a2><a3>5.218198280e+00</a3><a4>7.632535320e-04</a4><a5>-6.606231900e-08</a5><a6>2.428649361e-12</a6><a7>-3.341900910e-17</a7><b1>1.228640353e+05</b1><b2>3.390783040e+00</b2></T_range></specie><specie inp_file_name="MgH"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1996a pt1 p401 pt2 p320.</comment><reference>tpis96</reference><elements><element Mg="1" /><element H="1" /></elements><condensed>False</condensed><molecular_weight>0.025312940000000003</molecular_weight><hf298.15>229786.104</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-4.958679150e+04</a1><a2>7.500278650e+02</a2><a3>-6.442047500e-01</a3><a4>9.826301010e-03</a4><a5>-8.789822440e-06</a5><a6>3.823353520e-09</a6><a7>-6.003725760e-13</a7><b1>2.302279383e+04</b1><b2>2.657165344e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.005748598e+05</a1><a2>1.952890106e+03</a2><a3>-1.317191549e+00</a3><a4>5.603665800e-03</a4><a5>-2.137334980e-06</a5><a6>3.324880500e-10</a6><a7>-1.824672746e-14</a7><b1>1.598582755e+04</b1><b2>3.431233160e+01</b2></T_range></specie><specie inp_file_name="MgI"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1996a pt1 p420 pt2 p334.</comment><reference>tpis96</reference><elements><element Mg="1" /><element I="1" /></elements><condensed>False</condensed><molecular_weight>0.15120947</molecular_weight><hf298.15>61206.317</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>2.943889099e+03</a1><a2>-1.690248574e+02</a2><a3>5.147251830e+00</a3><a4>-1.321186997e-03</a4><a5>1.623056505e-06</a5><a6>-1.005114222e-09</a6><a7>2.567337785e-13</a7><b1>6.845890270e+03</b1><b2>8.593132250e-01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.370562811e+06</a1><a2>6.916452480e+03</a2><a3>-3.183894490e+00</a3><a4>4.051551140e-03</a4><a5>-9.774290750e-07</a5><a6>1.023329400e-10</a6><a7>-3.790304870e-15</a7><b1>-3.818551110e+04</b1><b2>5.993104380e+01</b2></T_range></specie><specie inp_file_name="MgI2"><identification><InChIKey>BLQJIBCZHWBKSL-UHFFFAOYSA-L</InChIKey><canonical_smiles>[Mg+2].[I-].[I-]</canonical_smiles><cas_number>61349-42-6</cas_number><IUPAC_name>magnesium;diiodide</IUPAC_name></identification><comment>Gurvich,1996a pt1 p423 pt2 p336.</comment><reference>tpis96</reference><elements><element Mg="1" /><element I="2" /></elements><condensed>False</condensed><molecular_weight>0.27811394</molecular_weight><hf298.15>-171706.029</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.594739709e+04</a1><a2>-4.160412720e+02</a2><a3>9.010638320e+00</a3><a4>-3.090359024e-03</a4><a5>3.621264260e-06</a5><a6>-2.260138392e-09</a6><a7>5.809055550e-13</a7><b1>-2.080441400e+04</b1><b2>-1.412175736e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-3.340299180e+04</a1><a2>-9.343511780e+00</a2><a3>7.507468540e+00</a3><a4>-3.147707890e-06</a4><a5>7.241336470e-10</a5><a6>-8.567664950e-14</a6><a7>4.069691700e-18</a7><b1>-2.294555505e+04</b1><b2>-5.241272590e+00</b2></T_range></specie><specie inp_file_name="MgN"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Chase,1998 p1535.</comment><reference>j 3/64</reference><elements><element Mg="1" /><element N="1" /></elements><condensed>False</condensed><molecular_weight>0.038311700000000004</molecular_weight><hf298.15>288696.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>3.759538640e+04</a1><a2>-4.853164280e+02</a2><a3>5.163054240e+00</a3><a4>2.591539493e-04</a4><a5>-1.518993975e-06</a5><a6>1.522840476e-09</a6><a7>-4.992531450e-13</a7><b1>3.607294610e+04</b1><b2>-3.813908776e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-6.018589100e+04</a1><a2>-4.010864780e+01</a2><a3>4.529498950e+00</a3><a4>4.760490910e-05</a4><a5>2.547271298e-09</a5><a6>-2.894058118e-13</a6><a7>1.330639131e-17</a7><b1>3.341285700e+04</b1><b2>7.925250209e-01</b2></T_range></specie><specie inp_file_name="MgO"><identification><InChIKey>CPLXHLVBOLITMK-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[Mg]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>oxomagnesium</IUPAC_name></identification><comment>Gurvich,1996a pt1 p398 pt2 p318.</comment><reference>tpis96</reference><elements><element Mg="1" /><element O="1" /></elements><condensed>False</condensed><molecular_weight>0.040304400000000004</molecular_weight><hf298.15>32261.307</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>3.513659740e+05</a1><a2>-5.287197160e+03</a2><a3>3.382060060e+01</a3><a4>-8.400489630e-02</a4><a5>1.210016160e-04</a5><a6>-7.630795020e-08</a6><a7>1.701022862e-11</a7><b1>2.790679519e+04</b1><b2>-1.624886199e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.586738367e+07</a1><a2>3.420468100e+04</a2><a3>-1.774087677e+01</a3><a4>7.004963050e-03</a4><a5>-1.104138249e-06</a5><a6>8.957488530e-11</a6><a7>-3.052513649e-15</a7><b1>-2.300504434e+05</b1><b2>1.738984472e+02</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>2.290059050e+06</a1><a2>-2.073499632e+04</a2><a3>1.444150005e+01</a3><a4>-1.490609900e-03</a4><a5>1.052119343e-07</a5><a6>-3.523030610e-12</a6><a7>4.613111760e-17</a7><b1>1.490218815e+05</b1><b2>-8.007281730e+01</b2></T_range></specie><specie inp_file_name="MgOH"><identification><InChIKey>SIERWFVYDSKSDJ-UHFFFAOYSA-M</InChIKey><canonical_smiles>[OH-].[Mg+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>magnesium;hydroxide</IUPAC_name></identification><comment>Gurvich,1996a pt1 p404 pt2 p322.</comment><reference>tpis96</reference><elements><element Mg="1" /><element O="1" /><element H="1" /></elements><condensed>False</condensed><molecular_weight>0.041312339999999996</molecular_weight><hf298.15>-132428.980</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>3.839851620e+04</a1><a2>-7.367383640e+02</a2><a3>7.920664460e+00</a3><a4>-5.950940590e-04</a4><a5>-2.112941162e-06</a5><a6>3.228282110e-09</a6><a7>-1.214159329e-12</a7><b1>-1.392326188e+04</b1><b2>-1.916078109e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>6.648664750e+05</a1><a2>-1.770750355e+03</a2><a3>7.269999270e+00</a3><a4>5.336842760e-04</a4><a5>-1.980894443e-07</a5><a6>3.025677088e-11</a6><a7>-1.554849476e-15</a7><b1>-6.149114560e+03</b1><b2>-1.671027009e+01</b2></T_range></specie><specie inp_file_name="MgOH+"><identification><InChIKey>SIERWFVYDSKSDJ-UHFFFAOYSA-M</InChIKey><canonical_smiles>[OH-].[Mg+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>magnesium;hydroxide</IUPAC_name></identification><comment>Chase,1998 p1285 12/75.</comment><reference>g 1/01</reference><elements><element Mg="1" /><element O="1" /><element H="1" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.0413117914</molecular_weight><hf298.15>615769.370</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>1.170224573e+05</a1><a2>-1.735933343e+03</a2><a3>1.164059613e+01</a3><a4>-8.449876220e-03</a4><a5>7.351713740e-06</a5><a6>-2.790223071e-09</a6><a7>3.514982130e-13</a7><b1>8.118807670e+04</b1><b2>-4.271174370e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>8.296339540e+05</a1><a2>-2.459700177e+03</a2><a3>8.118732020e+00</a3><a4>3.500579100e-05</a4><a5>-4.670574750e-08</a5><a6>8.312358260e-12</a6><a7>-4.802836220e-16</a7><b1>8.801661710e+04</b1><b2>-2.438155217e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>-6.691779770e+06</a1><a2>2.437864449e+03</a2><a3>6.949387850e+00</a3><a4>6.355744850e-05</a4><a5>-3.980850170e-09</a5><a6>1.287525303e-13</a6><a7>-1.684735436e-18</a7><b1>4.948972630e+04</b1><b2>-1.400323314e+01</b2></T_range></specie><specie inp_file_name="Mg(OH)2"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1996a pt1 p407 pt2 p324.</comment><reference>tpis96</reference><elements><element Mg="1" /><element O="2" /><element H="2" /></elements><condensed>False</condensed><molecular_weight>0.05831968</molecular_weight><hf298.15>-551995.808</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>5.245894670e+04</a1><a2>-1.289056383e+03</a2><a3>1.389327642e+01</a3><a4>-7.806693670e-04</a4><a5>-4.151257230e-06</a5><a6>6.109473040e-09</a6><a7>-2.274138833e-12</a7><b1>-6.295089150e+04</b1><b2>-5.015353340e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.713709254e+06</a1><a2>-4.730005350e+03</a2><a3>1.448925967e+01</a3><a4>1.907819857e-04</a4><a5>-1.226834131e-07</a5><a6>2.015343753e-11</a6><a7>-1.128993279e-15</a7><b1>-3.887724670e+04</b1><b2>-5.840498120e+01</b2></T_range></specie><specie inp_file_name="MgS"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1996a pt1 p425 pt2 p338.</comment><reference>tpis96</reference><elements><element Mg="1" /><element S="1" /></elements><condensed>False</condensed><molecular_weight>0.056369999999999996</molecular_weight><hf298.15>120649.311</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-9.565788090e+03</a1><a2>1.443637798e+02</a2><a3>1.813794717e+00</a3><a4>1.147168775e-02</a4><a5>-2.220170412e-05</a5><a6>1.995344981e-08</a6><a7>-6.090688740e-12</a7><b1>1.276501517e+04</b1><b2>1.461333093e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>2.650794328e+07</a1><a2>-7.711355860e+04</a2><a3>8.463771680e+01</a3><a4>-3.644250680e-02</a4><a5>8.403084420e-06</a5><a6>-9.539882170e-10</a6><a7>4.264658030e-14</a7><b1>5.078931170e+05</b1><b2>-5.834656096e+02</b2></T_range></specie><specie inp_file_name="Mg2"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1996a pt1 p393 pt2 p316.</comment><reference>tpis96</reference><elements><element Mg="2" /></elements><condensed>False</condensed><molecular_weight>0.04861</molecular_weight><hf298.15>286513.315</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>4.545195590e+03</a1><a2>4.115850040e+02</a2><a3>4.841196170e-01</a3><a4>4.891969650e-03</a4><a5>-6.395536840e-06</a5><a6>4.299764550e-09</a6><a7>-1.164624418e-12</a7><b1>3.181641790e+04</b1><b2>2.640432143e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>3.038224994e+04</a1><a2>5.945240460e+01</a2><a3>2.352706666e+00</a3><a4>1.378537924e-04</a4><a5>-5.895692040e-08</a5><a6>1.104045317e-11</a6><a7>-6.558868290e-16</a7><b1>3.351036560e+04</b1><b2>1.588177377e+01</b2></T_range></specie><specie inp_file_name="Mg2F4"><identification><InChIKey>IUBGCAIAAJMNJS-UHFFFAOYSA-J</InChIKey><canonical_smiles>[F-].[F-].[F-].[F-].[Mg+2].[Mg+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dimagnesium;tetrafluoride</IUPAC_name></identification><comment>Chase,1998 p1178.</comment><reference>j12/75</reference><elements><element Mg="2" /><element F="4" /></elements><condensed>False</condensed><molecular_weight>0.1246036128</molecular_weight><hf298.15>-1718369.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.511956137e+05</a1><a2>-3.122595912e+03</a2><a3>2.517715088e+01</a3><a4>-1.558723757e-02</a4><a5>1.552195619e-05</a5><a6>-8.408729050e-09</a6><a7>1.911618525e-12</a7><b1>-1.953078883e+05</b1><b2>-1.085103537e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.980610166e+05</a1><a2>-1.201299868e+02</a2><a3>1.609110864e+01</a3><a4>-3.687456290e-05</a4><a5>8.220317050e-09</a5><a6>-9.488869780e-13</a6><a7>4.419795330e-17</a7><b1>-2.117349690e+05</b1><b2>-5.308655470e+01</b2></T_range></specie><specie inp_file_name="Mn"><identification><InChIKey>PWHULOQIROXLJO-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Mn]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>manganese</IUPAC_name></identification><comment>Hf:Desai,1987. Sugar,1985. Gordon,1999.</comment><reference>g 7/97</reference><elements><element Mn="1" /></elements><condensed>False</condensed><molecular_weight>0.054938049</molecular_weight><hf298.15>282400.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.034061359e-01</a1><a2>-1.551537349e-03</a2><a3>2.500009148e+00</a3><a4>-2.723162066e-08</a4><a5>4.333897430e-11</a5><a6>-3.511093890e-14</a6><a7>1.136032201e-17</a7><b1>3.321935190e+04</b1><b2>6.649325463e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>5.855155820e+03</a1><a2>8.838588440e+02</a2><a3>-3.648662580e-02</a3><a4>2.703720687e-03</a4><a5>-1.324971998e-06</a5><a6>2.872603290e-10</a6><a7>-1.923633570e-14</a7><b1>2.867803487e+04</b1><b2>2.292541198e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>3.936189040e+09</a1><a2>-2.353549748e+06</a2><a3>5.377244800e+02</a3><a4>-5.824812570e-02</a4><a5>3.330475100e-06</a5><a6>-9.689631050e-11</a6><a7>1.133286034e-15</a7><b1>1.879530161e+07</b1><b2>-4.690097890e+03</b2></T_range></specie><specie inp_file_name="Mn+"><identification><InChIKey>PWHULOQIROXLJO-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Mn]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>manganese</IUPAC_name></identification><comment>Sugar,1985. Gordon,1999.</comment><reference>g 6/97</reference><elements><element Mn="1" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.0549375004</molecular_weight><hf298.15>1005871.328</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>3.458017700e+02</a1><a2>-4.251151330e+00</a2><a3>2.521281028e+00</a3><a4>-5.565087280e-05</a4><a5>8.037162210e-08</a5><a6>-6.093550970e-11</a6><a7>1.900014268e-14</a7><b1>1.202533602e+05</b1><b2>6.683468162e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>6.471314100e+05</a1><a2>-2.403796253e+03</a2><a3>5.937715750e+00</a3><a4>-2.341014594e-03</a4><a5>7.464165640e-07</a5><a6>-9.075969730e-11</a6><a7>4.467879847e-15</a7><b1>1.349902108e+05</b1><b2>-1.702666341e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>1.717119921e+09</a1><a2>-9.029185830e+05</a2><a3>1.784788847e+02</a3><a4>-1.566770206e-02</a4><a5>7.346534410e-07</a5><a6>-1.750673350e-11</a6><a7>1.667889239e-16</a7><b1>7.443546080e+06</b1><b2>-1.568005804e+03</b2></T_range></specie><specie inp_file_name="Mo"><identification><InChIKey>ZOKXTWBITQBERF-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Mo]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>molybdenum</IUPAC_name></identification><comment>Hf:Desai,1987. Sugar,1988. Gordon,1999.</comment><reference>g 7/97</reference><elements><element Mo="1" /></elements><condensed>False</condensed><molecular_weight>0.09594</molecular_weight><hf298.15>658500.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>7.646367910e+01</a1><a2>-1.159269043e+00</a2><a3>2.506929462e+00</a3><a4>-2.099249725e-05</a4><a5>3.414779430e-08</a5><a6>-2.841269591e-11</a6><a7>9.492443321e-15</a7><b1>7.845899800e+04</b1><b2>7.601835660e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>5.573271000e+06</a1><a2>-1.662365811e+04</a2><a3>2.135147077e+01</a3><a4>-1.003069377e-02</a4><a5>2.409784357e-06</a5><a6>-1.811267352e-10</a6><a7>1.034189087e-15</a7><b1>1.842646473e+05</b1><b2>-1.275326434e+02</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>6.205038910e+09</a1><a2>-3.855961600e+06</a2><a3>9.371595060e+02</a3><a4>-1.108164544e-01</a4><a5>6.929123900e-06</a5><a6>-2.199865715e-10</a6><a7>2.798315513e-15</a7><b1>3.062163602e+07</b1><b2>-8.122811340e+03</b2></T_range></specie><specie inp_file_name="Mo+"><identification><InChIKey>ZOKXTWBITQBERF-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Mo]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>molybdenum</IUPAC_name></identification><comment>Sugar,1988. Gordon,1999.</comment><reference>g 7/97</reference><elements><element Mo="1" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.0959394514</molecular_weight><hf298.15>1349012.928</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>1.298236623e+02</a1><a2>-1.560279908e+00</a2><a3>2.507600281e+00</a3><a4>-1.923789063e-05</a4><a5>2.673316651e-08</a5><a6>-1.937174292e-11</a6><a7>5.729735412e-15</a7><b1>1.615103759e+05</b1><b2>7.442543460e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.298891120e+07</a1><a2>-3.948276230e+04</a2><a3>4.866599780e+01</a3><a4>-2.605352326e-02</a4><a5>7.215431920e-06</a5><a6>-8.719164960e-10</a6><a7>3.788423040e-14</a7><b1>4.118948570e+05</b1><b2>-3.216791030e+02</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>-1.731253943e+09</a1><a2>8.776685240e+05</a2><a3>-1.669716753e+02</a3><a4>1.732439603e-02</a4><a5>-9.372726850e-07</a5><a6>2.593422324e-11</a6><a7>-2.913787941e-16</a7><b1>-6.989098130e+06</b1><b2>1.517101780e+03</b2></T_range></specie><specie inp_file_name="Mo-"><identification><InChIKey>ZOKXTWBITQBERF-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Mo]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>molybdenum</IUPAC_name></identification><comment>Hotop,1985. Gordon,1999.</comment><reference>g10/97</reference><elements><element Mo="1" /><element E="1" /></elements><condensed>False</condensed><molecular_weight>0.0959405486</molecular_weight><hf298.15>580324.628</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.500000000e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>6.905123690e+04</b1><b2>7.485659540e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.500000000e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>6.905123690e+04</b1><b2>7.485659540e+00</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.500000000e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>6.905123690e+04</b1><b2>7.485659540e+00</b2></T_range></specie><specie inp_file_name="MoO"><identification><InChIKey>PQQKPALAQIIWST-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[Mo]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>oxomolybdenum</IUPAC_name></identification><comment>Gurvich,1982 pt1 p25 pt2 p30.</comment><reference>tpis89</reference><elements><element Mo="1" /><element O="1" /></elements><condensed>False</condensed><molecular_weight>0.11193940000000001</molecular_weight><hf298.15>358005.323</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-2.801152706e+04</a1><a2>5.139883480e+02</a2><a3>1.075385931e+00</a3><a4>8.681048470e-03</a4><a5>-1.111118984e-05</a5><a6>7.234349330e-09</a6><a7>-1.893138381e-12</a7><b1>3.941374080e+04</b1><b2>2.272230239e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.573131992e+06</a1><a2>-5.241483580e+03</a2><a3>1.102656868e+01</a3><a4>-3.902996620e-03</a4><a5>1.147334134e-06</a5><a6>-1.358975691e-10</a6><a7>5.775268580e-15</a7><b1>7.448972000e+04</b1><b2>-4.253612930e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>2.846838911e+08</a1><a2>-1.710122789e+05</a2><a3>4.036556200e+01</a3><a4>-2.750495204e-03</a4><a5>8.916821240e-08</a5><a6>-1.248340135e-12</a6><a7>3.675821910e-18</a7><b1>1.408558917e+06</b1><b2>-3.171602770e+02</b2></T_range></specie><specie inp_file_name="MoO2"><identification><InChIKey>QXYJCZRRLLQGCR-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[Mo]=O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dioxomolybdenum</IUPAC_name></identification><comment>Gurvich,1982 pt1 p28 pt2 p33.</comment><reference>tpis82</reference><elements><element Mo="1" /><element O="2" /></elements><condensed>False</condensed><molecular_weight>0.1279388</molecular_weight><hf298.15>-15558.079</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>3.247183220e+04</a1><a2>-1.904783783e+02</a2><a3>2.120771647e+00</a3><a4>1.650280086e-02</a4><a5>-2.381696822e-05</a5><a6>1.652371586e-08</a6><a7>-4.494452430e-12</a7><b1>-1.862932837e+03</b1><b2>1.640582056e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>3.096143654e+05</a1><a2>-1.932750274e+03</a2><a3>9.428673180e+00</a3><a4>-1.630508855e-03</a4><a5>5.752760170e-07</a5><a6>-7.590457470e-11</a6><a7>3.461337780e-15</a7><b1>7.327725180e+03</b1><b2>-2.533315948e+01</b2></T_range></specie><specie inp_file_name="MoO3"><identification><InChIKey>JKQOBWVOAYFWKG-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[Mo](=O)=O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>trioxomolybdenum</IUPAC_name></identification><comment>Gurvich,1982 pt1 p31 pt2 p35.</comment><reference>tpis82</reference><elements><element Mo="1" /><element O="3" /></elements><condensed>False</condensed><molecular_weight>0.1439382</molecular_weight><hf298.15>-364412.371</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>5.977385360e+04</a1><a2>-7.684557830e+02</a2><a3>5.881844440e+00</a3><a4>1.686119817e-02</a4><a5>-2.582485043e-05</a5><a6>1.850382718e-08</a6><a7>-5.152249850e-12</a7><b1>-4.155872390e+04</b1><b2>-6.529162160e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-4.097597270e+05</a1><a2>2.379066513e+02</a2><a3>9.311100800e+00</a3><a4>6.579338910e-04</a4><a5>-2.895307725e-07</a5><a6>5.692637260e-11</a6><a7>-3.489657310e-15</a7><b1>-4.923738720e+04</b1><b2>-2.114864892e+01</b2></T_range></specie><specie inp_file_name="MoO3-"><identification><InChIKey>JKQOBWVOAYFWKG-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[Mo](=O)=O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>trioxomolybdenum</IUPAC_name></identification><comment>Gurvich,1982 pt1 p32 pt2 p36.</comment><reference>tpis82</reference><elements><element Mo="1" /><element O="3" /><element E="1" /></elements><condensed>False</condensed><molecular_weight>0.1439387486</molecular_weight><hf298.15>-655242.501</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>1.821617352e+05</a1><a2>-2.224656970e+03</a2><a3>1.320405967e+01</a3><a4>-1.249800352e-03</a4><a5>-1.864166983e-06</a5><a6>2.276579470e-09</a6><a7>-7.366564570e-13</a7><b1>-6.938986000e+04</b1><b2>-4.699377210e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-4.881098720e+05</a1><a2>1.848536991e+01</a2><a3>1.042644941e+01</a3><a4>-6.265557910e-04</a4><a5>3.020554347e-07</a5><a6>-4.733195890e-11</a6><a7>2.527517727e-15</a7><b1>-8.337815500e+04</b1><b2>-2.701522825e+01</b2></T_range></specie><specie inp_file_name="Mo2O6"><identification><InChIKey>VWZQCRAEGAWKBW-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[Mo]1(=O)O[Mo](=O)(=O)O1</canonical_smiles><cas_number>12412-19-0</cas_number><IUPAC_name>1,3-dioxa-2$l^{6},4$l^{6}-dimolybdacyclobutane 2,2,4,4-tetraoxide</IUPAC_name></identification><comment>Gurvich,1982 pt1 p33 pt2 p37.</comment><reference>tpis82</reference><elements><element Mo="2" /><element O="6" /></elements><condensed>False</condensed><molecular_weight>0.2878764</molecular_weight><hf298.15>-1149446.813</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.568375811e+05</a1><a2>-2.159930184e+03</a2><a3>1.522500503e+01</a3><a4>3.194198900e-02</a4><a5>-5.063877150e-05</a5><a6>3.689371820e-08</a6><a7>-1.037872908e-11</a7><b1>-1.309931161e+05</b1><b2>-5.408918500e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-6.312238160e+05</a1><a2>-6.642827550e+02</a2><a3>2.249383570e+01</a3><a4>-1.968470329e-04</a4><a5>4.336740610e-08</a5><a6>-4.959777990e-12</a6><a7>2.293212733e-16</a7><b1>-1.430573250e+05</b1><b2>-8.669628540e+01</b2></T_range></specie><specie inp_file_name="Mo3O9"><identification><InChIKey>PTUMCTKUEJBCQN-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[Mo]1(=O)O[Mo](=O)(=O)O[Mo](=O)(=O)O1</canonical_smiles><cas_number>12163-83-6</cas_number><IUPAC_name>1,3,5-trioxa-2$l^{6},4$l^{6},6$l^{6}-trimolybdacyclohexane 2,2,4,4,6,6-hexaoxide</IUPAC_name></identification><comment>Gurvich,1982 pt1 p34 pt2 p38.</comment><reference>tpis82</reference><elements><element Mo="3" /><element O="9" /></elements><condensed>False</condensed><molecular_weight>0.4318146</molecular_weight><hf298.15>-1902031.349</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.483386187e+05</a1><a2>-1.863895133e+03</a2><a3>1.738405871e+01</a3><a4>6.233012320e-02</a4><a5>-9.328441350e-05</a5><a6>6.613638790e-08</a6><a7>-1.830607518e-11</a7><b1>-2.248945631e+05</b1><b2>-5.826669470e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-9.230290540e+05</a1><a2>-1.076171759e+03</a2><a3>3.480007260e+01</a3><a4>-3.189633800e-04</a4><a5>7.028397040e-08</a5><a6>-8.039642640e-12</a6><a7>3.717879530e-16</a7><b1>-2.357422166e+05</b1><b2>-1.448769485e+02</b2></T_range></specie><specie inp_file_name="Mo4O12"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1982 pt1 p36 pt2 p39.</comment><reference>tpis82</reference><elements><element Mo="4" /><element O="12" /></elements><condensed>False</condensed><molecular_weight>0.5757528</molecular_weight><hf298.15>-2625526.773</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>2.234876437e+05</a1><a2>-2.996203728e+03</a2><a3>2.682458827e+01</a3><a4>7.597345720e-02</a4><a5>-1.155247012e-04</a5><a6>8.256472570e-08</a6><a7>-2.296764551e-11</a7><b1>-3.084619476e+05</b1><b2>-1.065236386e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.225283388e+06</a1><a2>-1.368141197e+03</a2><a3>4.701687810e+01</a3><a4>-4.052910200e-04</a4><a5>8.928472390e-08</a5><a6>-1.021091158e-11</a6><a7>4.721091690e-16</a7><b1>-3.256477770e+05</b1><b2>-2.047486535e+02</b2></T_range></specie><specie inp_file_name="Mo5O15"><identification><InChIKey>TYWWPCPEKFGYNZ-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[Mo]1(=O)O[Mo](=O)(=O)O[Mo](=O)(=O)O[Mo](=O)(=O)O[Mo](=O)(=O)O1</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>1,3,5,7,9-pentaoxa-2$l^{6},4$l^{6},6$l^{6},8$l^{6},10$l^{6}-pentamolybdacyclodecane 2,2,4,4,6,6,8,8,10,10-decaoxide</IUPAC_name></identification><comment>Gurvich,1982 pt1 p38 pt2 p40.</comment><reference>tpis82</reference><elements><element Mo="5" /><element O="15" /></elements><condensed>False</condensed><molecular_weight>0.7196910000000001</molecular_weight><hf298.15>-3329108.437</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>2.768903251e+05</a1><a2>-3.757933100e+03</a2><a3>3.408197760e+01</a3><a4>9.485414960e-02</a4><a5>-1.442672100e-04</a5><a6>1.031163900e-07</a6><a7>-2.868600013e-11</a7><b1>-3.913507030e+05</b1><b2>-1.426449143e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.535389516e+06</a1><a2>-1.710367122e+03</a2><a3>5.927125780e+01</a3><a4>-5.066836290e-04</a4><a5>1.116223706e-07</a5><a6>-1.276562233e-11</a6><a7>5.902318910e-16</a7><b1>-4.128972380e+05</b1><b2>-2.651287167e+02</b2></T_range></specie><specie inp_file_name="N"><identification><InChIKey>AODRJISUPXKQJP-UHFFFAOYSA-N</InChIKey><canonical_smiles>[N-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>nitrogen(1-)</IUPAC_name></identification><comment>Hf:Cox,1989. Moore,1975. Gordon,1999.</comment><reference>g 5/97</reference><elements><element N="1" /></elements><condensed>False</condensed><molecular_weight>0.0140067</molecular_weight><hf298.15>472680.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.500000000e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>5.610463780e+04</b1><b2>4.193905036e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>8.876501380e+04</a1><a2>-1.071231500e+02</a2><a3>2.362188287e+00</a3><a4>2.916720081e-04</a4><a5>-1.729515100e-07</a5><a6>4.012657880e-11</a6><a7>-2.677227571e-15</a7><b1>5.697351330e+04</b1><b2>4.865231506e+00</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>5.475181050e+08</a1><a2>-3.107574980e+05</a2><a3>6.916782740e+01</a3><a4>-6.847988130e-03</a4><a5>3.827572400e-07</a5><a6>-1.098367709e-11</a6><a7>1.277986024e-16</a7><b1>2.550585618e+06</b1><b2>-5.848769753e+02</b2></T_range></specie><specie inp_file_name="N+"><identification><InChIKey>AODRJISUPXKQJP-UHFFFAOYSA-N</InChIKey><canonical_smiles>[N-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>nitrogen(1-)</IUPAC_name></identification><comment>Moore,1975. Gordon,1999.</comment><reference>g 6/97</reference><elements><element N="1" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.0140061514</molecular_weight><hf298.15>1882127.624</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>5.237079210e+03</a1><a2>2.299958315e+00</a2><a3>2.487488821e+00</a3><a4>2.737490756e-05</a4><a5>-3.134447576e-08</a5><a6>1.850111332e-11</a6><a7>-4.447350984e-15</a7><b1>2.256284738e+05</b1><b2>5.076830786e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>2.904970374e+05</a1><a2>-8.557908610e+02</a2><a3>3.477389290e+00</a3><a4>-5.288267190e-04</a4><a5>1.352350307e-07</a5><a6>-1.389834122e-11</a6><a7>5.046166279e-16</a7><b1>2.310809984e+05</b1><b2>-1.994146545e+00</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>1.646092148e+07</a1><a2>-1.113165218e+04</a2><a3>4.976986640e+00</a3><a4>-2.005393583e-04</a4><a5>1.022481356e-08</a5><a6>-2.691430863e-13</a6><a7>3.539931593e-18</a7><b1>3.136284696e+05</b1><b2>-1.706646380e+01</b2></T_range></specie><specie inp_file_name="N-"><identification><InChIKey>AODRJISUPXKQJP-UHFFFAOYSA-N</InChIKey><canonical_smiles>[N-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>nitrogen(1-)</IUPAC_name></identification><comment>Hotop,1985. Chase,1998 p1602. Gordon,1999.</comment><reference>j12/82</reference><elements><element N="1" /><element E="1" /></elements><condensed>False</condensed><molecular_weight>0.014007248600000001</molecular_weight><hf298.15>473537.545</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>1.445682471e+03</a1><a2>7.335205110e+00</a2><a3>2.476680939e+00</a3><a4>4.227869180e-05</a4><a5>-4.426293320e-08</a5><a6>2.490985431e-11</a6><a7>-5.831608090e-15</a7><b1>5.617625000e+04</b1><b2>5.145753977e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>2.404189576e+03</a1><a2>2.954965336e-01</a2><a3>2.499789368e+00</a3><a4>8.307564970e-08</a4><a5>-1.829942770e-11</a5><a6>2.100136461e-15</a6><a7>-9.754986710e-20</a7><b1>5.621413890e+04</b1><b2>5.006484157e+00</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>1.884379470e+03</a1><a2>3.905516910e-01</a2><a3>2.499914043e+00</a3><a4>9.818512540e-09</a4><a5>-6.126037340e-13</a5><a6>1.980010689e-17</a6><a7>-2.593295116e-22</a7><b1>5.621304520e+04</b1><b2>5.005647607e+00</b2></T_range></specie><specie inp_file_name="NCO"><identification><InChIKey>XLJMAIOERFSOGZ-UHFFFAOYSA-M</InChIKey><canonical_smiles>C(#N)[O-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>cyanate</IUPAC_name></identification><comment>Hf:East,1993. Jacox,1998 p184.</comment><reference>g 6/01</reference><elements><element N="1" /><element C="1" /><element O="1" /></elements><condensed>False</condensed><molecular_weight>0.04201680000000001</molecular_weight><hf298.15>131847.241</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.136503036e+04</a1><a2>-2.444613367e+02</a2><a3>4.671376100e+00</a3><a4>2.309387548e-03</a4><a5>2.798649599e-06</a5><a6>-4.546357380e-09</a6><a7>1.692880931e-12</a7><b1>1.577649188e+04</b1><b2>-2.171476903e-01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.089445289e+05</a1><a2>-1.735459316e+03</a2><a3>8.655610330e+00</a3><a4>-4.053229260e-04</a4><a5>7.599716410e-08</a5><a6>-7.253804150e-12</a6><a7>3.244872410e-16</a7><b1>2.365792776e+04</b1><b2>-2.619532970e+01</b2></T_range></specie><specie inp_file_name="ND"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Hf:est. from NH,H&D data. Chase,1998 p1037 6/77.</comment><reference>g 4/01</reference><elements><element N="1" /><element D="1" /></elements><condensed>False</condensed><molecular_weight>0.016020802</molecular_weight><hf298.15>355738.797</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>2.290155757e+04</a1><a2>-3.957388510e+02</a2><a3>6.179010330e+00</a3><a4>-8.847806970e-03</a4><a5>1.441582970e-05</a5><a6>-1.006647227e-08</a6><a7>2.654403586e-12</a7><b1>4.355913430e+04</b1><b2>-1.180414072e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>5.439657960e+05</a1><a2>-2.084583507e+03</a2><a3>5.834089720e+00</a3><a4>-4.189393360e-04</a4><a5>9.768929530e-08</a5><a6>-1.056317654e-11</a6><a7>4.683079210e-16</a7><b1>5.466633410e+04</b1><b2>-1.480810939e+01</b2></T_range></specie><specie inp_file_name="ND2"><identification><InChIKey>MDFFNEOEWAXZRQ-DICFDUPASA-N</InChIKey><canonical_smiles>[NH2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Hf:est. from NH2,H,&D data. Jacox,1998 p133.</comment><reference>g 4/01</reference><elements><element N="1" /><element D="2" /></elements><condensed>False</condensed><molecular_weight>0.018034904</molecular_weight><hf298.15>184836.570</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.935222164e+04</a1><a2>-2.130631713e+02</a2><a3>4.844017600e+00</a3><a4>-2.516949288e-03</a4><a5>7.616381540e-06</a5><a6>-5.464501770e-09</a6><a7>1.292736999e-12</a7><b1>2.211998374e+04</b1><b2>-3.171712417e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.631308357e+06</a1><a2>-6.564637490e+03</a2><a3>1.280547961e+01</a3><a4>-3.094456779e-03</a4><a5>9.181660230e-07</a5><a6>-1.241119284e-10</a6><a7>6.226299860e-15</a7><b1>6.108929580e+04</b1><b2>-6.124502693e+01</b2></T_range></specie><specie inp_file_name="ND3"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Hf:est. from NH3,H,&D data. Chase,1998 p1047 6/77.</comment><reference>g 4/01</reference><elements><element N="1" /><element D="3" /></elements><condensed>False</condensed><molecular_weight>0.020049005999999998</molecular_weight><hf298.15>-54752.106</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.045120370e+04</a1><a2>1.610166943e+02</a2><a3>8.574963230e-01</a3><a4>1.319688794e-02</a4><a5>-1.153090144e-05</a5><a6>7.142495560e-09</a6><a7>-2.109194351e-12</a7><b1>-8.220948900e+03</b1><b2>1.675921299e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>2.599516958e+06</a1><a2>-1.013420124e+04</a2><a3>1.798028169e+01</a3><a4>-3.582609800e-03</a4><a5>1.009922000e-06</a5><a6>-1.537638609e-10</a6><a7>9.106175650e-15</a7><b1>5.397205660e+04</b1><b2>-9.810988569e+01</b2></T_range></specie><specie inp_file_name="NF"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1989 pt1 p372 pt2 p234. Gurvich,1978 pt2 p243.</comment><reference>tpis89</reference><elements><element N="1" /><element F="1" /></elements><condensed>False</condensed><molecular_weight>0.033005103200000004</molecular_weight><hf298.15>232990.500</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-3.504927750e+04</a1><a2>6.674502990e+02</a2><a3>-1.201665982e+00</a3><a4>1.452074253e-02</a4><a5>-1.822873148e-05</a5><a6>1.160136864e-08</a6><a7>-2.973416333e-12</a7><b1>2.395414002e+04</b1><b2>3.089260431e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>8.002987330e+05</a1><a2>-3.237696580e+03</a2><a3>8.703408870e+00</a3><a4>-2.701025798e-03</a4><a5>9.150042110e-07</a5><a6>-1.365256630e-10</a6><a7>7.234624410e-15</a7><b1>4.642819450e+04</b1><b2>-3.019933248e+01</b2></T_range></specie><specie inp_file_name="NF2"><identification><InChIKey>BBZREMAMWBDNHH-UHFFFAOYSA-N</InChIKey><canonical_smiles>[N](F)F</canonical_smiles><cas_number>3744-07-8</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1989 pt1 p373. McBride,1992 METHOD NRRAO1.</comment><reference>g 4/99</reference><elements><element N="1" /><element F="2" /></elements><condensed>False</condensed><molecular_weight>0.052003506399999996</molecular_weight><hf298.15>34421.447</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.511831104e+04</a1><a2>9.196389940e+01</a2><a3>4.947301790e-01</a3><a4>2.001847323e-02</a4><a5>-2.767712684e-05</a5><a6>1.872924867e-08</a6><a7>-5.020318040e-12</a7><b1>2.839279606e+03</b1><b2>2.270515670e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.945010078e+05</a1><a2>-3.536034070e+02</a2><a3>7.263494360e+00</a3><a4>-8.402380400e-05</a4><a5>2.326721111e-08</a5><a6>-2.667577562e-12</a6><a7>1.236070614e-16</a7><b1>3.435440590e+03</b1><b2>-1.336102511e+01</b2></T_range></specie><specie inp_file_name="NF3"><identification><InChIKey>GVGCUCJTUSOZKP-UHFFFAOYSA-N</InChIKey><canonical_smiles>N(F)(F)F</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1989 pt1 p375. McBride,1992 METHOD NRRAO2.</comment><reference>g 4/99</reference><elements><element N="1" /><element F="3" /></elements><condensed>False</condensed><molecular_weight>0.07100190960000001</molecular_weight><hf298.15>-131700.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>8.757149280e+04</a1><a2>-9.031832890e+02</a2><a3>4.027417270e+00</a3><a4>2.314439555e-02</a4><a5>-3.415106470e-05</a5><a6>2.409483651e-08</a6><a7>-6.633464190e-12</a7><b1>-1.237232074e+04</b1><b2>3.026430713e-01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-3.496268760e+05</a1><a2>-4.973728670e+02</a2><a3>1.036866128e+01</a3><a4>8.900687650e-05</a4><a5>5.882654360e-08</a5><a6>-3.157737664e-12</a6><a7>1.714329953e-16</a7><b1>-1.713183352e+04</b1><b2>-3.098920858e+01</b2></T_range></specie><specie inp_file_name="NH"><identification><InChIKey>PDCKRJPYJMCOFO-UHFFFAOYSA-N</InChIKey><canonical_smiles>[NH]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>$l^{1}-azane</IUPAC_name></identification><comment>Hf:Anderson,1989. Gurvich,1978 pt2 p223.</comment><reference>g 4/99</reference><elements><element N="1" /><element H="1" /></elements><condensed>False</condensed><molecular_weight>0.01501464</molecular_weight><hf298.15>357032.001</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.359651320e+04</a1><a2>-1.900296604e+02</a2><a3>4.518496790e+00</a3><a4>-2.432776899e-03</a4><a5>2.377587464e-06</a5><a6>-2.592797084e-10</a6><a7>-2.659680792e-13</a7><b1>4.280972190e+04</b1><b2>-3.886561616e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.958141991e+06</a1><a2>-5.782861300e+03</a2><a3>9.335742020e+00</a3><a4>-2.292910311e-03</a4><a5>6.076092480e-07</a5><a6>-6.647942750e-11</a6><a7>2.384234783e-15</a7><b1>7.898912340e+04</b1><b2>-4.116970400e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>9.524636790e+07</a1><a2>-8.585826910e+04</a2><a3>2.980445181e+01</a3><a4>-2.979563697e-03</a4><a5>1.656334158e-07</a5><a6>-4.744791840e-12</a6><a7>5.570148290e-17</a7><b1>6.961434270e+05</b1><b2>-2.229027419e+02</b2></T_range></specie><specie inp_file_name="NH+"><identification><InChIKey>PDCKRJPYJMCOFO-UHFFFAOYSA-N</InChIKey><canonical_smiles>[NH]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>$l^{1}-azane</IUPAC_name></identification><comment>Hf:Gibson,1985. Gurvich,1989 pt2 p216.</comment><reference>g 5/99</reference><elements><element N="1" /><element H="1" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.0150140914</molecular_weight><hf298.15>1665787.914</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>4.253656850e+03</a1><a2>-2.458222206e+02</a2><a3>6.708919490e+00</a3><a4>-1.038489430e-02</a4><a5>1.509008623e-05</a5><a6>-9.580512190e-09</a6><a7>2.333206758e-12</a7><b1>2.001077797e+05</b1><b2>-1.395057632e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.405709438e+06</a1><a2>-4.136215710e+03</a2><a3>7.632014480e+00</a3><a4>-1.228325778e-03</a4><a5>2.721187746e-07</a5><a6>-2.010098289e-11</a6><a7>3.717190180e-17</a7><b1>2.258975960e+05</b1><b2>-2.786785234e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>2.392941759e+08</a1><a2>-1.741658624e+05</a2><a3>5.107907910e+01</a3><a4>-5.567623700e-03</a4><a5>3.273391600e-07</a5><a6>-9.797978060e-12</a6><a7>1.186543279e-16</a7><b1>1.554705305e+06</b1><b2>-4.065968960e+02</b2></T_range></specie><specie inp_file_name="NHF"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1989 pt1 p386 pt2 p247.</comment><reference>tpis89</reference><elements><element N="1" /><element H="1" /><element F="1" /></elements><condensed>False</condensed><molecular_weight>0.034013043199999995</molecular_weight><hf298.15>112000.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-5.110659820e+04</a1><a2>9.612256430e+02</a2><a3>-2.706446594e+00</a3><a4>2.036562680e-02</a4><a5>-2.425558952e-05</a5><a6>1.551553017e-08</a6><a7>-4.058458260e-12</a7><b1>7.909628340e+03</b1><b2>4.099317124e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>9.013902720e+05</a1><a2>-3.463397050e+03</a2><a3>8.705804860e+00</a3><a4>-4.018963410e-04</a4><a5>2.322774501e-08</a5><a6>6.280487330e-12</a6><a7>-6.283095690e-16</a7><b1>3.337065340e+04</b1><b2>-2.900483634e+01</b2></T_range></specie><specie inp_file_name="NHF2"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1989 pt1 p388 pt2 p249.</comment><reference>tpis89</reference><elements><element N="1" /><element H="1" /><element F="2" /></elements><condensed>False</condensed><molecular_weight>0.053011446399999995</molecular_weight><hf298.15>-103000.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-5.626113420e+04</a1><a2>1.205756556e+03</a2><a3>-6.017529420e+00</a3><a4>3.760027690e-02</a4><a5>-4.619198600e-05</a5><a6>2.942475570e-08</a6><a7>-7.598732360e-12</a7><b1>-1.897014374e+04</b1><b2>5.901714907e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>7.394278990e+05</a1><a2>-4.004471770e+03</a2><a3>1.221322320e+01</a3><a4>-6.970437730e-04</a4><a5>1.271073981e-07</a5><a6>-1.247136898e-11</a6><a7>5.086517590e-16</a7><b1>9.134195980e+03</b1><b2>-4.867843963e+01</b2></T_range></specie><specie inp_file_name="NH2"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Hf:Anderson,1989. Gurvich,1989 pt1 p349.Jacox,1998 p133.</comment><reference>g 3/01</reference><elements><element N="1" /><element H="2" /></elements><condensed>False</condensed><molecular_weight>0.01602258</molecular_weight><hf298.15>189134.713</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-3.118240659e+04</a1><a2>4.754243390e+02</a2><a3>1.372395176e+00</a3><a4>6.306429720e-03</a4><a5>-5.987893560e-06</a5><a6>4.492752340e-09</a6><a7>-1.414073548e-12</a7><b1>1.928939662e+04</b1><b2>1.540126885e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>2.111053740e+06</a1><a2>-6.880627230e+03</a2><a3>1.132305924e+01</a3><a4>-1.829236741e-03</a4><a5>5.643890090e-07</a5><a6>-7.886452480e-11</a6><a7>4.078593450e-15</a7><b1>6.503778560e+04</b1><b2>-5.359155744e+01</b2></T_range></specie><specie inp_file_name="NH2F"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1989 pt1 p387 pt2 p248.</comment><reference>tpis89</reference><elements><element N="1" /><element H="2" /><element F="1" /></elements><condensed>False</condensed><molecular_weight>0.0350209832</molecular_weight><hf298.15>-75000.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.092374760e+05</a1><a2>1.844919780e+03</a2><a3>-7.673871600e+00</a3><a4>3.229533440e-02</a4><a5>-3.388108670e-05</a5><a6>1.971871550e-08</a6><a7>-4.810205150e-12</a7><b1>-1.878318960e+04</b1><b2>6.861483739e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.927205340e+06</a1><a2>-7.500447160e+03</a2><a3>1.395589580e+01</a3><a4>-1.184804420e-03</a4><a5>2.050678670e-07</a5><a6>-1.908761310e-11</a6><a7>7.389236210e-16</a7><b1>3.552927340e+04</b1><b2>-6.731185491e+01</b2></T_range></specie><specie inp_file_name="NH3"><identification><InChIKey>QGZKDVFQNNGYKY-UHFFFAOYSA-N</InChIKey><canonical_smiles>N</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>azane</IUPAC_name></identification><comment>Gurvich,1989 pt1 p354 pt2 p219. Haar,1968.</comment><reference>tpis89</reference><elements><element N="1" /><element H="3" /></elements><condensed>False</condensed><molecular_weight>0.01703052</molecular_weight><hf298.15>-45940.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-7.681226150e+04</a1><a2>1.270951578e+03</a2><a3>-3.893229130e+00</a3><a4>2.145988418e-02</a4><a5>-2.183766703e-05</a5><a6>1.317385706e-08</a6><a7>-3.332322060e-12</a7><b1>-1.264886413e+04</b1><b2>4.366014588e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>2.452389535e+06</a1><a2>-8.040894240e+03</a2><a3>1.271346201e+01</a3><a4>-3.980186580e-04</a4><a5>3.552502750e-08</a5><a6>2.530923570e-12</a6><a7>-3.322700530e-16</a7><b1>4.386191960e+04</b1><b2>-6.462330602e+01</b2></T_range></specie><specie inp_file_name="NH2OH"><identification><InChIKey>AVXURJPOCDRRFD-UHFFFAOYSA-N</InChIKey><canonical_smiles>NO</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>hydroxylamine</IUPAC_name></identification><comment>Hydroxylamine. Gurvich,1989 pt1 p368 pt2 p232.</comment><reference>tpis89</reference><elements><element N="1" /><element H="3" /><element O="1" /></elements><condensed>False</condensed><molecular_weight>0.03302992</molecular_weight><hf298.15>-50000.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-5.617586670e+04</a1><a2>1.209290057e+03</a2><a3>-6.179599060e+00</a3><a4>4.053116440e-02</a4><a5>-5.190105540e-05</a5><a6>3.594544580e-08</a6><a7>-9.933681640e-12</a7><b1>-1.265888352e+04</b1><b2>5.727932928e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>4.878285050e+06</a1><a2>-1.533604636e+04</a2><a3>2.227239990e+01</a3><a4>-2.514583678e-03</a4><a5>3.339589730e-07</a5><a6>-1.881744532e-11</a6><a7>1.918174365e-16</a7><b1>8.923020710e+04</b1><b2>-1.269053624e+02</b2></T_range></specie><specie inp_file_name="NH4+"><identification><InChIKey>QGZKDVFQNNGYKY-UHFFFAOYSA-O</InChIKey><canonical_smiles>[NH4+]</canonical_smiles><cas_number>14798-03-9</cas_number><IUPAC_name>azanium</IUPAC_name></identification><comment>Gurvich,1989 pt1 p355 pt2 p220.</comment><reference>tpis89</reference><elements><element N="1" /><element H="4" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.0180379114</molecular_weight><hf298.15>644904.945</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>-2.668315752e+05</a1><a2>3.763020690e+03</a2><a3>-1.571327725e+01</a3><a4>4.548820210e-02</a4><a5>-4.379962120e-05</a5><a6>2.464478293e-08</a6><a7>-5.961532330e-12</a7><b1>5.823284720e+04</b1><b2>1.112087156e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>4.141889000e+06</a1><a2>-1.442072042e+04</a2><a3>2.011893564e+01</a3><a4>-1.971492619e-03</a4><a5>3.112721421e-07</a5><a6>-2.602979969e-11</a6><a7>8.894342130e-16</a7><b1>1.664196236e+05</b1><b2>-1.201535761e+02</b2></T_range></specie><specie inp_file_name="NO"><identification><InChIKey>MWUXSHHQAYIFBG-UHFFFAOYSA-N</InChIKey><canonical_smiles>[N]=O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>nitric oxide</IUPAC_name></identification><comment>Gurvich,1978,1989 pt1 p326 pt2 p203.</comment><reference>tpis89</reference><elements><element N="1" /><element O="1" /></elements><condensed>False</condensed><molecular_weight>0.0300061</molecular_weight><hf298.15>91271.310</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.143916503e+04</a1><a2>1.536467592e+02</a2><a3>3.431468730e+00</a3><a4>-2.668592368e-03</a4><a5>8.481399120e-06</a5><a6>-7.685111050e-09</a6><a7>2.386797655e-12</a7><b1>9.098214410e+03</b1><b2>6.728725490e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>2.239018716e+05</a1><a2>-1.289651623e+03</a2><a3>5.433936030e+00</a3><a4>-3.656034900e-04</a4><a5>9.880966450e-08</a5><a6>-1.416076856e-11</a6><a7>9.380184620e-16</a7><b1>1.750317656e+04</b1><b2>-8.501669090e+00</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>-9.575303540e+08</a1><a2>5.912434480e+05</a2><a3>-1.384566826e+02</a3><a4>1.694339403e-02</a4><a5>-1.007351096e-06</a5><a6>2.912584076e-11</a6><a7>-3.295109350e-16</a7><b1>-4.677501240e+06</b1><b2>1.242081216e+03</b2></T_range></specie><specie inp_file_name="NO+"><identification><InChIKey>KEJOCWOXCDWNID-UHFFFAOYSA-N</InChIKey><canonical_smiles>N#[O+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>azanylidyneoxidanium</IUPAC_name></identification><comment>Cp,S,IP(NO): Gurvich,1989 pt1 p330 pt2 p205.</comment><reference>g 5/99</reference><elements><element N="1" /><element O="1" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.0300055514</molecular_weight><hf298.15>990809.704</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>1.398106635e+03</a1><a2>-1.590446941e+02</a2><a3>5.122895400e+00</a3><a4>-6.394388620e-03</a4><a5>1.123918342e-05</a5><a6>-7.988581260e-09</a6><a7>2.107383677e-12</a7><b1>1.187495132e+05</b1><b2>-4.398433810e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>6.069876900e+05</a1><a2>-2.278395427e+03</a2><a3>6.080324670e+00</a3><a4>-6.066847580e-04</a4><a5>1.432002611e-07</a5><a6>-1.747990522e-11</a6><a7>8.935014060e-16</a7><b1>1.322709615e+05</b1><b2>-1.519880037e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>2.676400347e+09</a1><a2>-1.832948690e+06</a2><a3>5.099249390e+02</a3><a4>-7.113819280e-02</a4><a5>5.317659880e-06</a5><a6>-1.963208212e-10</a6><a7>2.805268230e-15</a7><b1>1.443308939e+07</b1><b2>-4.324044462e+03</b2></T_range></specie><specie inp_file_name="NOCl"><identification><InChIKey>VPCDQGACGWYTMC-UHFFFAOYSA-N</InChIKey><canonical_smiles>N(=O)Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>nitrosyl chloride</IUPAC_name></identification><comment>Gurvich,1989 pt1 p389. McBride,1992 METHOD PANDK.</comment><reference>g 4/99</reference><elements><element N="1" /><element O="1" /><element Cl="1" /></elements><condensed>False</condensed><molecular_weight>0.0654591</molecular_weight><hf298.15>52698.828</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>2.308835209e+04</a1><a2>-5.495983840e+02</a2><a3>7.730463360e+00</a3><a4>-5.073910900e-03</a4><a5>1.062996184e-05</a5><a6>-8.793249700e-09</a6><a7>2.648180166e-12</a7><b1>7.389898390e+03</b1><b2>-1.318393021e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-6.133413330e+05</a1><a2>-3.919298830e+02</a2><a3>9.138917220e+00</a3><a4>-2.605664613e-03</a4><a5>1.295687247e-06</a5><a6>-2.215378352e-10</a6><a7>1.280394898e-14</a7><b1>4.517328420e+03</b1><b2>-2.307323335e+01</b2></T_range></specie><specie inp_file_name="NOF"><identification><InChIKey>ZEIYBPGWHWECHV-UHFFFAOYSA-N</InChIKey><canonical_smiles>N(=O)F</canonical_smiles><cas_number>7789-25-5</cas_number><IUPAC_name>nitrosyl fluoride</IUPAC_name></identification><comment>Gurvich,1989 pt1 p382. McBride,1992 METHOD NRRAO2.</comment><reference>g 4/99</reference><elements><element N="1" /><element O="1" /><element F="1" /></elements><condensed>False</condensed><molecular_weight>0.0490045032</molecular_weight><hf298.15>-65000.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>4.755024260e+04</a1><a2>-7.253904170e+02</a2><a3>7.213996360e+00</a3><a4>-2.532427181e-03</a4><a5>6.377743900e-06</a5><a6>-5.518305880e-09</a6><a7>1.681935713e-12</a7><b1>-5.609722520e+03</b1><b2>-1.289663616e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.889069274e+06</a1><a2>-6.731022660e+03</a2><a3>1.419018767e+01</a3><a4>-3.693124620e-03</a4><a5>9.938575140e-07</a5><a6>-1.080748188e-10</a6><a7>4.210354430e-15</a7><b1>3.209900780e+04</b1><b2>-6.370266962e+01</b2></T_range></specie><specie inp_file_name="NOF3"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1989 pt1 p385 pt2 p246.</comment><reference>tpis89</reference><elements><element N="1" /><element O="1" /><element F="3" /></elements><condensed>False</condensed><molecular_weight>0.08700130959999999</molecular_weight><hf298.15>-187000.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.488360135e+05</a1><a2>-2.241049812e+03</a2><a3>1.302355027e+01</a3><a4>5.463976680e-03</a4><a5>-8.641865250e-06</a5><a6>5.913659030e-09</a6><a7>-1.577009169e-12</a7><b1>-1.328342568e+04</b1><b2>-4.877320739e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.785625217e+05</a1><a2>-1.252321663e+03</a2><a3>1.390824337e+01</a3><a4>-3.566687500e-04</a4><a5>7.785011060e-08</a5><a6>-8.850411970e-12</a6><a7>4.075980030e-16</a7><b1>-2.025651446e+04</b1><b2>-5.106881859e+01</b2></T_range></specie><specie inp_file_name="NO2"><identification><InChIKey>IOVCWXUNBOPUCH-UHFFFAOYSA-M</InChIKey><canonical_smiles>N(=O)[O-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>nitrite</IUPAC_name></identification><comment>Gurvich,1989 pt1 p332 pt2 p207.</comment><reference>g 4/99</reference><elements><element N="1" /><element O="2" /></elements><condensed>False</condensed><molecular_weight>0.0460055</molecular_weight><hf298.15>34193.019</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-5.642038780e+04</a1><a2>9.633085720e+02</a2><a3>-2.434510974e+00</a3><a4>1.927760886e-02</a4><a5>-1.874559328e-05</a5><a6>9.145497730e-09</a6><a7>-1.777647635e-12</a7><b1>-1.547925037e+03</b1><b2>4.067851210e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>7.213001570e+05</a1><a2>-3.832615200e+03</a2><a3>1.113963285e+01</a3><a4>-2.238062246e-03</a4><a5>6.547723430e-07</a5><a6>-7.611335900e-11</a6><a7>3.328361050e-15</a7><b1>2.502497403e+04</b1><b2>-4.305130040e+01</b2></T_range></specie><specie inp_file_name="NO2-"><identification><InChIKey>IOVCWXUNBOPUCH-UHFFFAOYSA-M</InChIKey><canonical_smiles>N(=O)[O-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>nitrite</IUPAC_name></identification><comment>Gurvich,1989 pt1 p334 pt2 p208.</comment><reference>tpis89</reference><elements><element N="1" /><element O="2" /><element E="1" /></elements><condensed>False</condensed><molecular_weight>0.0460060486</molecular_weight><hf298.15>-200035.591</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>-1.282067858e+04</a1><a2>6.990138180e+02</a2><a3>-2.812596273e+00</a3><a4>2.412894252e-02</a4><a5>-2.831606689e-05</a5><a6>1.670509365e-08</a6><a7>-3.983330130e-12</a7><b1>-2.809915579e+04</b1><b2>4.063271510e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.325710335e+05</a1><a2>-1.557032129e+03</a2><a3>8.126721920e+00</a3><a4>-2.728626780e-04</a4><a5>-4.707541800e-08</a5><a6>2.826729008e-11</a6><a7>-2.353985481e-15</a7><b1>-1.715795217e+04</b1><b2>-2.228576043e+01</b2></T_range></specie><specie inp_file_name="NO2Cl"><identification><InChIKey>NXRVFVBNLWGOCL-UHFFFAOYSA-N</InChIKey><canonical_smiles>N(=O)OCl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>chloro nitrite</IUPAC_name></identification><comment>Gurvich,1989 pt1 p391. McBride,1992 METHOD NRRAO1.</comment><reference>g 4/99</reference><elements><element N="1" /><element O="2" /><element Cl="1" /></elements><condensed>False</condensed><molecular_weight>0.0814585</molecular_weight><hf298.15>12500.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>8.508370340e+03</a1><a2>-1.805383762e+02</a2><a3>3.785388560e+00</a3><a4>1.414934934e-02</a4><a5>-1.423946765e-05</a5><a6>7.028226180e-09</a6><a7>-1.374688214e-12</a7><b1>9.156246470e+02</b1><b2>6.958904458e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.086773327e+05</a1><a2>-1.452231167e+03</a2><a3>1.105656962e+01</a3><a4>-4.000099280e-04</a4><a5>9.101543040e-08</a5><a6>-1.036656913e-11</a6><a7>4.781664810e-16</a7><b1>6.294267320e+03</b1><b2>-3.521239681e+01</b2></T_range></specie><specie inp_file_name="NO2F"><identification><InChIKey>JVJQPDTXIALXOG-UHFFFAOYSA-N</InChIKey><canonical_smiles>[N+](=O)([O-])F</canonical_smiles><cas_number>10022-50-1</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1989 pt1 p349. McBride,1992 METHOD NRRAO1.</comment><reference>g 4/99</reference><elements><element N="1" /><element O="2" /><element F="1" /></elements><condensed>False</condensed><molecular_weight>0.06500390319999999</molecular_weight><hf298.15>-109000.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>5.667856950e+04</a1><a2>-6.538251950e+02</a2><a3>4.472771520e+00</a3><a4>1.368870672e-02</a4><a5>-1.460533236e-05</a5><a6>7.779227940e-09</a6><a7>-1.689355106e-12</a7><b1>-1.102179443e+04</b1><b2>3.292074310e-01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.008577842e+05</a1><a2>-1.704722752e+03</a2><a3>1.122954945e+01</a3><a4>-4.685215970e-04</a4><a5>1.047692566e-07</a5><a6>-1.189150595e-11</a6><a7>5.470307120e-16</a7><b1>-6.891719180e+03</b1><b2>-3.849788492e+01</b2></T_range></specie><specie inp_file_name="NO3"><identification><InChIKey>NHNBFGGVMKEFGY-UHFFFAOYSA-N</InChIKey><canonical_smiles>[N+](=O)([O-])[O-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>nitrate</IUPAC_name></identification><comment>Chase,1998 p1607.</comment><reference>j12/64</reference><elements><element N="1" /><element O="3" /></elements><condensed>False</condensed><molecular_weight>0.0620049</molecular_weight><hf298.15>71128.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>3.405398410e+04</a1><a2>2.266670652e+02</a2><a3>-3.793081630e+00</a3><a4>4.170732700e-02</a4><a5>-5.709913270e-05</a5><a6>3.834158110e-08</a6><a7>-1.021969284e-11</a7><b1>7.088112200e+03</b1><b2>4.273091713e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-3.943872710e+05</a1><a2>-8.244263530e+02</a2><a3>1.061325843e+01</a3><a4>-2.448749816e-04</a4><a5>5.406060320e-08</a5><a6>-6.195466750e-12</a6><a7>2.870000149e-16</a7><b1>8.982011730e+03</b1><b2>-3.444666597e+01</b2></T_range></specie><specie inp_file_name="NO3-"><identification><InChIKey>NHNBFGGVMKEFGY-UHFFFAOYSA-N</InChIKey><canonical_smiles>[N+](=O)([O-])[O-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>nitrate</IUPAC_name></identification><comment>Gurvich,1989 pt1 p335 pt2 p209.</comment><reference>tpis89</reference><elements><element N="1" /><element O="3" /><element E="1" /></elements><condensed>False</condensed><molecular_weight>0.0620054486</molecular_weight><hf298.15>-310779.531</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>9.204813610e+04</a1><a2>-3.911171150e+02</a2><a3>-2.354356764e-01</a3><a4>2.836042108e-02</a4><a5>-3.461324080e-05</a5><a6>2.081787460e-08</a6><a7>-5.021601270e-12</a7><b1>-3.576411500e+04</b1><b2>2.299942308e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-3.110005758e+05</a1><a2>-1.369087552e+03</a2><a3>1.101342913e+01</a3><a4>-4.036878820e-04</a4><a5>8.902086470e-08</a5><a6>-1.019733480e-11</a6><a7>4.723330790e-16</a7><b1>-3.364321090e+04</b1><b2>-3.878432657e+01</b2></T_range></specie><specie inp_file_name="NO3F"><identification><InChIKey>VHFBTKQOIBRGQP-UHFFFAOYSA-N</InChIKey><canonical_smiles>[N+](=O)([O-])OF</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>fluoro nitrate</IUPAC_name></identification><comment>Gurvich,1989 pt1 p384 pt2 p245.</comment><reference>tpis89</reference><elements><element N="1" /><element O="3" /><element F="1" /></elements><condensed>False</condensed><molecular_weight>0.0810033032</molecular_weight><hf298.15>15000.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>6.472832030e+04</a1><a2>-8.213134310e+02</a2><a3>6.194917440e+00</a3><a4>1.805438628e-02</a4><a5>-1.996693240e-05</a5><a6>1.124482018e-08</a6><a7>-2.680013077e-12</a7><b1>4.206661790e+03</b1><b2>-7.016104301e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-3.411793300e+05</a1><a2>-2.353908798e+03</a2><a3>1.628114887e+01</a3><a4>-1.910415273e-03</a4><a5>4.690873560e-07</a5><a6>-5.686040140e-11</a6><a7>2.720906921e-15</a7><b1>9.760583980e+03</b1><b2>-6.558153684e+01</b2></T_range></specie><specie inp_file_name="N2"><identification><InChIKey>IJGRMHOSHXDMSA-UHFFFAOYSA-N</InChIKey><canonical_smiles>N#N</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>molecular nitrogen</IUPAC_name></identification><comment>Ref-Elm. Gurvich,1978 pt1 p280 pt2 p207.</comment><reference>tpis78</reference><elements><element N="2" /></elements><condensed>False</condensed><molecular_weight>0.0280134</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>2.210371497e+04</a1><a2>-3.818461820e+02</a2><a3>6.082738360e+00</a3><a4>-8.530914410e-03</a4><a5>1.384646189e-05</a5><a6>-9.625793620e-09</a6><a7>2.519705809e-12</a7><b1>7.108460860e+02</b1><b2>-1.076003744e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>5.877124060e+05</a1><a2>-2.239249073e+03</a2><a3>6.066949220e+00</a3><a4>-6.139685500e-04</a4><a5>1.491806679e-07</a5><a6>-1.923105485e-11</a6><a7>1.061954386e-15</a7><b1>1.283210415e+04</b1><b2>-1.586640027e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>8.310139160e+08</a1><a2>-6.420733540e+05</a2><a3>2.020264635e+02</a3><a4>-3.065092046e-02</a4><a5>2.486903333e-06</a5><a6>-9.705954110e-11</a6><a7>1.437538881e-15</a7><b1>4.938707040e+06</b1><b2>-1.672099740e+03</b2></T_range></specie><specie inp_file_name="N2+"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1989 pt1 p323 pt2 p200.</comment><reference>tpis89</reference><elements><element N="2" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.0280128514</molecular_weight><hf298.15>1509508.424</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>-3.474047470e+04</a1><a2>2.696222703e+02</a2><a3>3.164916370e+00</a3><a4>-2.132239781e-03</a4><a5>6.730476400e-06</a5><a6>-5.637304970e-09</a6><a7>1.621756000e-12</a7><b1>1.790004424e+05</b1><b2>6.832974166e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.845599002e+06</a1><a2>7.058893030e+03</a2><a3>-2.884886385e+00</a3><a4>3.068677059e-03</a4><a5>-4.361652310e-07</a5><a6>2.102514545e-11</a6><a7>5.411996470e-16</a7><b1>1.340388483e+05</b1><b2>5.090897022e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>-3.712829770e+08</a1><a2>3.139287234e+05</a2><a3>-9.603518050e+01</a3><a4>1.571193286e-02</a4><a5>-1.175065525e-06</a5><a6>4.144441230e-11</a6><a7>-5.621893090e-16</a7><b1>-2.217361867e+06</b1><b2>8.436270947e+02</b2></T_range></specie><specie inp_file_name="N2-"><identification><InChIKey>IJGRMHOSHXDMSA-UHFFFAOYSA-N</InChIKey><canonical_smiles>N#N</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>molecular nitrogen</IUPAC_name></identification><comment>Chase,1998 p1623.</comment><reference>j 9/77</reference><elements><element N="2" /><element E="1" /></elements><condensed>False</condensed><molecular_weight>0.028013948599999998</molecular_weight><hf298.15>148183.282</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>-8.146227110e+04</a1><a2>9.063600790e+02</a2><a3>-1.520054079e-01</a3><a4>6.023190840e-03</a4><a5>-2.897138445e-06</a5><a6>-4.129106680e-11</a6><a7>3.206989770e-13</a7><b1>1.218808548e+04</b1><b2>2.638068855e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>2.169637706e+05</a1><a2>-1.275098516e+03</a2><a3>5.391095700e+00</a3><a4>-3.198907510e-04</a4><a5>7.311051350e-08</a5><a6>-8.202017370e-12</a6><a7>3.740044700e-16</a7><b1>2.424964308e+04</b1><b2>-9.014934294e+00</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>1.345850786e+06</a1><a2>-1.060565497e+03</a2><a3>4.732026850e+00</a3><a4>-5.091450050e-06</a4><a5>1.628212099e-09</a5><a6>-5.224243560e-14</a6><a7>6.796651250e-19</a7><b1>2.394627677e+04</b1><b2>-4.297861544e+00</b2></T_range></specie><specie inp_file_name="NCN"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Hf:Gurvich,1991 pt1 p219. Jacox,1998 p180.</comment><reference>g 6/01</reference><elements><element N="2" /><element C="1" /></elements><condensed>False</condensed><molecular_weight>0.0400241</molecular_weight><hf298.15>500456.573</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-5.634680700e+04</a1><a2>7.323804580e+02</a2><a3>-7.821401840e-01</a3><a4>1.838552441e-02</a4><a5>-1.950836491e-05</a5><a6>1.035712021e-08</a6><a7>-2.208158483e-12</a7><b1>5.539789700e+04</b1><b2>2.905308985e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.641880975e+05</a1><a2>-7.767840750e+02</a2><a3>7.999981870e+00</a3><a4>-1.659081508e-04</a4><a5>2.983403318e-08</a5><a6>-3.120157047e-12</a6><a7>1.992698720e-16</a7><b1>6.184424480e+04</b1><b2>-2.149108820e+01</b2></T_range></specie><specie inp_file_name="N2D2,cis"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Hf:Use NASA data for N2H2,H,&D. Chase,1998 p1044 6/77.</comment><reference>g 6/01</reference><elements><element N="2" /><element D="2" /></elements><condensed>False</condensed><molecular_weight>0.032041604</molecular_weight><hf298.15>202857.330</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-2.743733656e+04</a1><a2>7.149808830e+02</a2><a3>-2.223247620e+00</a3><a4>2.088722282e-02</a4><a5>-1.821711897e-05</a5><a6>8.844079940e-09</a6><a7>-1.918010649e-12</a7><b1>2.011115649e+04</b1><b2>3.637100195e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>8.798074710e+05</a1><a2>-5.299362040e+03</a2><a3>1.355007485e+01</a3><a4>-1.316635227e-03</a4><a5>2.755816197e-07</a5><a6>-3.036294387e-11</a6><a7>1.365324117e-15</a7><b1>5.356311890e+04</b1><b2>-6.271215875e+01</b2></T_range></specie><specie inp_file_name="N2F2"><identification><InChIKey>DUQAODNTUBJRGF-UHFFFAOYSA-N</InChIKey><canonical_smiles>N(=NF)F</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>difluorodiazene</IUPAC_name></identification><comment>Gurvich,1989 pt1 p377 pt2 p237.</comment><reference>tpis89</reference><elements><element N="2" /><element F="2" /></elements><condensed>False</condensed><molecular_weight>0.06601020640000001</molecular_weight><hf298.15>62373.546</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.543893150e+04</a1><a2>-2.183635130e+02</a2><a3>3.890284250e+00</a3><a4>1.674017740e-02</a4><a5>-2.056393090e-05</a5><a6>1.258692110e-08</a6><a7>-3.110498290e-12</a7><b1>7.052038700e+03</b1><b2>5.265866442e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.824883860e+05</a1><a2>-9.534029960e+02</a2><a3>1.069795480e+01</a3><a4>-2.759968700e-04</a4><a5>6.055439700e-08</a5><a6>-6.911215080e-12</a6><a7>3.192587230e-16</a7><b1>9.283466960e+03</b1><b2>-3.246968772e+01</b2></T_range></specie><specie inp_file_name="N2F4"><identification><InChIKey>GFADZIUESKAXAK-UHFFFAOYSA-N</InChIKey><canonical_smiles>N(N(F)F)(F)F</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>1,1,2,2-tetrafluorohydrazine</IUPAC_name></identification><comment>Gurvich,1989 pt1 p380 pt2 p240.</comment><reference>tpis89</reference><elements><element N="2" /><element F="4" /></elements><condensed>False</condensed><molecular_weight>0.10400701279999999</molecular_weight><hf298.15>-22000.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.162914512e+05</a1><a2>-1.538660418e+03</a2><a3>9.054033050e+00</a3><a4>2.862113563e-02</a4><a5>-4.332286990e-05</a5><a6>3.067642499e-08</a6><a7>-8.455474110e-12</a7><b1>2.865277526e+03</b1><b2>-2.476493006e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-5.188594710e+05</a1><a2>-6.702256510e+02</a2><a3>1.650109262e+01</a3><a4>-2.006404436e-04</a4><a5>4.436752510e-08</a5><a6>-5.089808880e-12</a6><a7>2.359374159e-16</a7><b1>-5.281488900e+03</b1><b2>-6.040513435e+01</b2></T_range></specie><specie inp_file_name="N2H2"><identification><InChIKey>RAABOESOVLLHRU-UHFFFAOYSA-N</InChIKey><canonical_smiles>N=N</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>diazene</IUPAC_name></identification><comment>Gurvich,1989 pt1 p356.Trans,cis,& 1,1 in equilibrium.</comment><reference>g 5/99</reference><elements><element N="2" /><element H="2" /></elements><condensed>False</condensed><molecular_weight>0.03002928</molecular_weight><hf298.15>211858.756</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.504005163e+05</a1><a2>2.346687716e+03</a2><a3>-9.405430290e+00</a3><a4>3.284299800e-02</a4><a5>-3.121920401e-05</a5><a6>1.721283190e-08</a6><a7>-4.014537220e-12</a7><b1>1.319384041e+04</b1><b2>7.832382630e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>6.217567870e+06</a1><a2>-1.753952096e+04</a2><a3>2.022730509e+01</a3><a4>-9.757297660e-04</a4><a5>-4.208416740e-07</a5><a6>1.117921171e-10</a6><a7>-7.627102210e-15</a7><b1>1.374152574e+05</b1><b2>-1.199559168e+02</b2></T_range></specie><specie inp_file_name="NH2NO2"><identification><InChIKey>NFMHSPWHNQRFNR-UHFFFAOYSA-N</InChIKey><canonical_smiles>N(N=O)O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N-hydroxynitrous amide</IUPAC_name></identification><comment>Aminyl Nitrite. Gurvich,1989 pt1 p370 pt2 p233.</comment><reference>tpis89</reference><elements><element N="2" /><element H="2" /><element O="2" /></elements><condensed>False</condensed><molecular_weight>0.06202808</molecular_weight><hf298.15>-26000.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-4.573035060e+04</a1><a2>1.201365987e+03</a2><a3>-8.105984110e+00</a3><a4>5.402715200e-02</a4><a5>-6.438074450e-05</a5><a6>4.025097920e-08</a6><a7>-1.025154190e-11</a7><b1>-9.615785160e+03</b1><b2>6.867353357e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.654040575e+06</a1><a2>-8.125220880e+03</a2><a3>2.021742772e+01</a3><a4>-1.244291821e-03</a4><a5>2.122804183e-07</a5><a6>-1.948359653e-11</a6><a7>7.439351360e-16</a7><b1>4.230822580e+04</b1><b2>-1.016190179e+02</b2></T_range></specie><specie inp_file_name="N2H4"><identification><InChIKey>OAKJQQAXSVQMHS-UHFFFAOYSA-N</InChIKey><canonical_smiles>NN</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>hydrazine</IUPAC_name></identification><comment>Gurvich,1989 pt1 p360 pt2 p225.</comment><reference>g 4/99</reference><elements><element N="2" /><element H="4" /></elements><condensed>False</condensed><molecular_weight>0.03204516</molecular_weight><hf298.15>95180.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.660756354e+05</a1><a2>3.035416736e+03</a2><a3>-1.736889823e+01</a3><a4>7.159834020e-02</a4><a5>-8.866799300e-05</a5><a6>5.798970280e-08</a6><a7>-1.530037218e-11</a7><b1>-3.731927230e+03</b1><b2>1.190002218e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>3.293486700e+06</a1><a2>-1.199850628e+04</a2><a3>2.104406814e+01</a3><a4>-1.399381724e-03</a4><a5>1.933173351e-07</a5><a6>-1.318016127e-11</a6><a7>3.166400170e-16</a7><b1>8.348433700e+04</b1><b2>-1.155751024e+02</b2></T_range></specie><specie inp_file_name="N2O"><identification><InChIKey>GQPLMRYTRLFLPF-UHFFFAOYSA-N</InChIKey><canonical_smiles>N#[N+][O-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>nitrous oxide</IUPAC_name></identification><comment>Gurvich,1989 pt1 p337 pt2 p210.</comment><reference>g 4/99</reference><elements><element N="2" /><element O="1" /></elements><condensed>False</condensed><molecular_weight>0.0440128</molecular_weight><hf298.15>81600.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>4.288225970e+04</a1><a2>-6.440118440e+02</a2><a3>6.034351430e+00</a3><a4>2.265394436e-04</a4><a5>3.472782850e-06</a5><a6>-3.627748640e-09</a6><a7>1.137969552e-12</a7><b1>1.179405506e+04</b1><b2>-1.003128570e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>3.438448040e+05</a1><a2>-2.404557558e+03</a2><a3>9.125636220e+00</a3><a4>-5.401667930e-04</a4><a5>1.315124031e-07</a5><a6>-1.414215100e-11</a6><a7>6.381066870e-16</a7><b1>2.198632638e+04</b1><b2>-3.147805016e+01</b2></T_range></specie><specie inp_file_name="N2O+"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Chase,1998 p1625.</comment><reference>j12/70</reference><elements><element N="2" /><element O="1" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.044012251399999994</molecular_weight><hf298.15>1332956.507</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>-5.624147080e+04</a1><a2>6.696211610e+02</a2><a3>8.781456190e-02</a3><a4>1.524476027e-02</a4><a5>-1.527290811e-05</a5><a6>7.827237390e-09</a6><a7>-1.646739623e-12</a7><b1>1.557295192e+05</b1><b2>2.562354785e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.983553254e+04</a1><a2>-1.179455967e+03</a2><a3>8.300186690e+00</a3><a4>-2.887267217e-04</a4><a5>5.705105010e-08</a5><a6>-5.958885120e-12</a6><a7>2.835725557e-16</a7><b1>1.646021769e+05</b1><b2>-2.287356617e+01</b2></T_range></specie><specie inp_file_name="N2O3"><identification><InChIKey>JJGOFTJTVVVHAM-UHFFFAOYSA-N</InChIKey><canonical_smiles>N#[N+][O-].O=O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>molecular oxygen;nitrous oxide</IUPAC_name></identification><comment>Gurvich,1989 pt1 p338 pt2 p211.</comment><reference>g 4/99</reference><elements><element N="2" /><element O="3" /></elements><condensed>False</condensed><molecular_weight>0.0760116</molecular_weight><hf298.15>86630.595</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-9.204444170e+04</a1><a2>9.295520150e+02</a2><a3>3.203664810e+00</a3><a4>1.356473078e-02</a4><a5>-6.262966070e-06</a5><a6>-1.402915559e-09</a6><a7>1.431620930e-12</a7><b1>3.313622080e+03</b1><b2>1.844430953e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>7.783881860e+05</a1><a2>-4.483024660e+03</a2><a3>1.666668024e+01</a3><a4>-2.062143878e-03</a4><a5>5.309541710e-07</a5><a6>-6.190451220e-11</a6><a7>2.692956658e-15</a7><b1>3.360912450e+04</b1><b2>-6.739212388e+01</b2></T_range></specie><specie inp_file_name="N2O4"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1989 pt1 p342 pt2 p212.</comment><reference>tpis89</reference><elements><element N="2" /><element O="4" /></elements><condensed>False</condensed><molecular_weight>0.092011</molecular_weight><hf298.15>11110.919</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-3.804751440e+04</a1><a2>5.612828890e+02</a2><a3>-2.083648324e-01</a3><a4>3.887087820e-02</a4><a5>-4.422412260e-05</a5><a6>2.498812310e-08</a6><a7>-5.679102380e-12</a7><b1>-3.310794730e+03</b1><b2>2.963924840e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-4.582843760e+05</a1><a2>-1.604749805e+03</a2><a3>1.674102133e+01</a3><a4>-5.091385080e-04</a4><a5>1.143634670e-07</a5><a6>-1.316288176e-11</a6><a7>5.976316620e-16</a7><b1>4.306900520e+03</b1><b2>-6.569450380e+01</b2></T_range></specie><specie inp_file_name="N2O5"><identification><InChIKey>ZWWCURLKEXEFQT-UHFFFAOYSA-N</InChIKey><canonical_smiles>[N+](=O)([O-])O[N+](=O)[O-]</canonical_smiles><cas_number>10102-03-1</cas_number><IUPAC_name>nitro nitrate</IUPAC_name></identification><comment>Gurvich,1989 pt1 p343 pt2 p213.</comment><reference>g 4/99</reference><elements><element N="2" /><element O="5" /></elements><condensed>False</condensed><molecular_weight>0.1080104</molecular_weight><hf298.15>13300.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>4.007828170e+04</a1><a2>-8.769675120e+02</a2><a3>1.055932981e+01</a3><a4>1.394613859e-02</a4><a5>-8.884346920e-06</a5><a6>8.500431150e-10</a6><a7>7.791550910e-13</a7><b1>3.038962037e+03</b1><b2>-2.386831860e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-5.325578960e+04</a1><a2>-3.109277389e+03</a2><a3>2.036088958e+01</a3><a4>-9.959901140e-04</a4><a5>2.401398635e-07</a5><a6>-3.057161911e-11</a6><a7>1.495915511e-15</a7><b1>1.336957281e+04</b1><b2>-8.298623341e+01</b2></T_range></specie><specie inp_file_name="N3"><identification><InChIKey>IVRMZWNICZWHMI-UHFFFAOYSA-N</InChIKey><canonical_smiles>[N-]=[N+]=[N-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>azide</IUPAC_name></identification><comment>Gurvich,1989 pt1 p325 pt2 p202.</comment><reference>tpis89</reference><elements><element N="3" /></elements><condensed>False</condensed><molecular_weight>0.0420201</molecular_weight><hf298.15>436000.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>3.337406790e+04</a1><a2>-2.965683604e+02</a2><a3>3.314279150e+00</a3><a4>6.721685360e-03</a4><a5>-4.181126390e-06</a5><a6>8.618442360e-10</a6><a7>6.883352530e-14</a7><b1>5.298840620e+04</b1><b2>5.312776486e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>2.529264658e+05</a1><a2>-2.362876591e+03</a2><a3>9.135267130e+00</a3><a4>-6.212870850e-04</a4><a5>1.324094351e-07</a5><a6>-1.478989640e-11</a6><a7>6.721230470e-16</a7><b1>6.412695390e+04</b1><b2>-3.135825973e+01</b2></T_range></specie><specie inp_file_name="N3H"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1989 pt1 p362 pt2 p226.</comment><reference>g 4/99</reference><elements><element N="3" /><element H="1" 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Martin,W.C.,1981. Gordon,1999.</comment><reference>g 8/97</reference><elements><element Na="1" /></elements><condensed>False</condensed><molecular_weight>0.02298977</molecular_weight><hf298.15>107500.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.500000000e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>1.218382949e+04</b1><b2>4.244028180e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>9.525723380e+05</a1><a2>-2.623807254e+03</a2><a3>5.162596620e+00</a3><a4>-1.210218586e-03</a4><a5>2.306301844e-07</a5><a6>-1.249597843e-11</a6><a7>7.226771190e-16</a7><b1>2.912963564e+04</b1><b2>-1.519717061e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>1.592533392e+09</a1><a2>-9.717836660e+05</a2><a3>2.238443963e+02</a3><a4>-2.380930558e-02</a4><a5>1.352018117e-06</a5><a6>-3.936971110e-11</a6><a7>4.630689121e-16</a7><b1>7.748677260e+06</b1><b2>-1.939615505e+03</b2></T_range></specie><specie inp_file_name="Na+"><identification><InChIKey>FKNQFGJONOIPTF-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Na+]</canonical_smiles><cas_number>17341-25-2</cas_number><IUPAC_name>sodium(1+)</IUPAC_name></identification><comment>Martin,W.C.,1981. 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Tlow="6000.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.500000001e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>5.082199670e+03</b1><b2>3.550916790e+00</b2></T_range></specie><specie inp_file_name="NaAlF4"><identification><InChIKey>OFFWLHNWSNNPJW-UHFFFAOYSA-J</InChIKey><canonical_smiles>F[Al-](F)(F)F.[Na+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>sodium;tetrafluoroalumanuide</IUPAC_name></identification><comment>Gurvich,1982 pt1 p359 pt2 p393.</comment><reference>tpis82</reference><elements><element Na="1" /><element Al="1" /><element F="4" /></elements><condensed>False</condensed><molecular_weight>0.1259649208</molecular_weight><hf298.15>-1857841.546</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.315359536e+05</a1><a2>-2.394685695e+03</a2><a3>1.909539612e+01</a3><a4>1.044339733e-03</a4><a5>-6.949754130e-06</a5><a6>6.769098140e-09</a6><a7>-2.176199098e-12</a7><b1>-2.150512366e+05</b1><b2>-7.505102130e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-3.571177930e+05</a1><a2>-2.496543879e+02</a2><a3>1.618634511e+01</a3><a4>-7.449049300e-05</a4><a5>1.644510872e-08</a5><a6>-1.883696066e-12</a6><a7>8.719877450e-17</a7><b1>-2.279533538e+05</b1><b2>-5.370665140e+01</b2></T_range></specie><specie inp_file_name="NaBO2"><identification><InChIKey>NVIFVTYDZMXWGX-UHFFFAOYSA-N</InChIKey><canonical_smiles>B(=O)[O-].[Na+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>sodium;oxido(oxo)borane</IUPAC_name></identification><comment>Gurvich,1982 pt1 p358 pt2 p392.</comment><reference>tpis82</reference><elements><element Na="1" /><element B="1" /><element O="2" /></elements><condensed>False</condensed><molecular_weight>0.06579957</molecular_weight><hf298.15>-633449.330</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>5.046867360e+04</a1><a2>-8.699970600e+02</a2><a3>8.942208240e+00</a3><a4>1.092655824e-03</a4><a5>1.440608828e-06</a5><a6>-2.254633535e-09</a6><a7>8.123312850e-13</a7><b1>-7.378318360e+04</b1><b2>-1.951815135e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>8.595814050e+04</a1><a2>-1.691902222e+03</a2><a3>1.118847517e+01</a3><a4>-4.564202310e-04</a4><a5>9.804505160e-08</a5><a6>-1.101655008e-11</a6><a7>5.029172760e-16</a7><b1>-6.949292060e+04</b1><b2>-3.416353130e+01</b2></T_range></specie><specie inp_file_name="NaBr"><identification><InChIKey>JHJLBTNAGRQEKS-UHFFFAOYSA-M</InChIKey><canonical_smiles>[Na+].[Br-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>sodium;bromide</IUPAC_name></identification><comment>Gurvich,1982 pt1 p342 pt2 p379.</comment><reference>tpis82</reference><elements><element Na="1" /><element Br="1" /></elements><condensed>False</condensed><molecular_weight>0.10289377000000001</molecular_weight><hf298.15>-145928.882</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.466827136e+04</a1><a2>7.622282870e+01</a2><a3>3.921163470e+00</a3><a4>1.793780908e-03</a4><a5>-2.457391648e-06</a5><a6>1.739334522e-09</a6><a7>-4.796701380e-13</a7><b1>-1.926491755e+04</b1><b2>6.404382860e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>8.978513020e+05</a1><a2>-2.697899721e+03</a2><a3>7.545377160e+00</a3><a4>-1.566692184e-03</a4><a5>4.470392740e-07</a5><a6>-4.832810210e-11</a6><a7>1.423961300e-15</a7><b1>-1.750862247e+03</b1><b2>-1.856478949e+01</b2></T_range></specie><specie inp_file_name="NaCN"><identification><InChIKey>MNWBNISUBARLIT-UHFFFAOYSA-N</InChIKey><canonical_smiles>[C-]#N.[Na+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>sodium;cyanide</IUPAC_name></identification><comment>Chase,1998 p634.</comment><reference>j 3/66</reference><elements><element Na="1" /><element C="1" /><element N="1" /></elements><condensed>False</condensed><molecular_weight>0.04900717</molecular_weight><hf298.15>94266.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>2.446165410e+04</a1><a2>-7.536019970e+02</a2><a3>1.044966241e+01</a3><a4>-1.168769048e-02</a4><a5>1.849279385e-05</a5><a6>-1.319387974e-08</a6><a7>3.589766560e-12</a7><b1>1.297820493e+04</b1><b2>-2.988519681e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>3.665570290e+05</a1><a2>-1.782094358e+03</a2><a3>8.699622630e+00</a3><a4>-4.463297000e-04</a4><a5>9.362229310e-08</a5><a6>-1.033071320e-11</a6><a7>4.650466810e-16</a7><b1>2.010926347e+04</b1><b2>-2.419276094e+01</b2></T_range></specie><specie inp_file_name="NaCl"><identification><InChIKey>FAPWRFPIFSIZLT-UHFFFAOYSA-M</InChIKey><canonical_smiles>[Na+].[Cl-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>sodium;chloride</IUPAC_name></identification><comment>Gurvich,1982 pt1 p337 pt2 p375.</comment><reference>tpis82</reference><elements><element Na="1" /><element Cl="1" /></elements><condensed>False</condensed><molecular_weight>0.058442770000000005</molecular_weight><hf298.15>-181544.884</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>4.362378350e+04</a1><a2>-7.583034460e+02</a2><a3>8.259173000e+00</a3><a4>-9.640915140e-03</a4><a5>1.358854616e-05</a5><a6>-9.667032250e-09</a6><a7>2.746261290e-12</a7><b1>-1.950409477e+04</b1><b2>-1.936687551e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>3.314498760e+05</a1><a2>-8.968315650e+02</a2><a3>5.277287380e+00</a3><a4>-1.475674008e-04</a4><a5>-1.491128988e-08</a5><a6>2.465673596e-11</a6><a7>-2.730355213e-15</a7><b1>-1.736277667e+04</b1><b2>-3.998288560e+00</b2></T_range></specie><specie 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Tlow="1000.0"><a1>-1.092926912e+06</a1><a2>3.293303640e+03</a2><a3>4.135919840e-01</a3><a4>2.634994470e-03</a4><a5>-8.384295630e-07</a5><a6>1.417053025e-10</a6><a7>-8.600270160e-15</a7><b1>-5.772884630e+04</b1><b2>2.909489906e+01</b2></T_range></specie><specie inp_file_name="NaH"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1982 pt1 p326 pt2 p366.</comment><reference>tpis82</reference><elements><element Na="1" /><element H="1" /></elements><condensed>False</condensed><molecular_weight>0.023997710000000002</molecular_weight><hf298.15>140835.105</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-3.222206410e+04</a1><a2>6.237622010e+02</a2><a3>-9.216277510e-01</a3><a4>1.360765851e-02</a4><a5>-1.659249878e-05</a5><a6>1.033284544e-08</a6><a7>-2.589726392e-12</a7><b1>1.307381654e+04</b1><b2>2.641418597e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-4.756184750e+06</a1><a2>1.452047626e+04</a2><a3>-1.327563485e+01</a3><a4>1.055828277e-02</a4><a5>-2.990041189e-06</a5><a6>3.905322880e-10</a6><a7>-1.923931194e-14</a7><b1>-7.632922270e+04</b1><b2>1.222070060e+02</b2></T_range></specie><specie inp_file_name="NaI"><identification><InChIKey>FVAUCKIRQBBSSJ-UHFFFAOYSA-M</InChIKey><canonical_smiles>[Na+].[I-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>sodium;iodide</IUPAC_name></identification><comment>Gurvich,1982 pt1 p345 pt2 p382.</comment><reference>tpis82</reference><elements><element Na="1" /><element I="1" /></elements><condensed>False</condensed><molecular_weight>0.14989423999999998</molecular_weight><hf298.15>-90637.880</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.228868506e+04</a1><a2>-2.857192800e+02</a2><a3>5.961057000e+00</a3><a4>-3.792532580e-03</a4><a5>5.566881310e-06</a5><a6>-4.045013680e-09</a6><a7>1.172998933e-12</a7><b1>-1.088250556e+04</b1><b2>-3.990739920e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>2.281549408e+06</a1><a2>-7.093156630e+03</a2><a3>1.304994968e+01</a3><a4>-5.013492330e-03</a4><a5>1.581735155e-06</a5><a6>-2.285837754e-10</a6><a7>1.195889950e-14</a7><b1>3.253893620e+04</b1><b2>-5.640023320e+01</b2></T_range></specie><specie inp_file_name="NaLi"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1982 pt1 p363 pt2 p396.</comment><reference>tpis82</reference><elements><element Na="1" /><element Li="1" /></elements><condensed>False</condensed><molecular_weight>0.02993077</molecular_weight><hf298.15>178598.320</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-6.569992760e+03</a1><a2>-5.253940430e+00</a2><a3>4.329384260e+00</a3><a4>1.097919189e-03</a4><a5>-1.965726597e-06</a5><a6>2.086472026e-09</a6><a7>-8.195988110e-13</a7><b1>2.016224293e+04</b1><b2>1.413253322e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.091664860e+07</a1><a2>-3.480010640e+04</a2><a3>4.614311920e+01</a3><a4>-2.260951051e-02</a4><a5>5.685324370e-06</a5><a6>-6.458143300e-10</a6><a7>2.696508992e-14</a7><b1>2.394431755e+05</b1><b2>-2.961780126e+02</b2></T_range></specie><specie inp_file_name="NaNO2"><identification><InChIKey>LPXPTNMVRIOKMN-UHFFFAOYSA-M</InChIKey><canonical_smiles>N(=O)[O-].[Na+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>sodium;nitrite</IUPAC_name></identification><comment>Gurvich,1982 pt1 p352 pt2 p387.</comment><reference>g10/99</reference><elements><element Na="1" /><element N="1" /><element O="2" /></elements><condensed>False</condensed><molecular_weight>0.06899527000000001</molecular_weight><hf298.15>-166292.779</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-6.934460610e+04</a1><a2>1.115432670e+03</a2><a3>-1.816284973e+00</a3><a4>2.916366016e-02</a4><a5>-3.505788520e-05</a5><a6>2.128602855e-08</a6><a7>-5.226211990e-12</a7><b1>-2.707275053e+04</b1><b2>4.121853253e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.765557495e+05</a1><a2>-8.635212950e+02</a2><a3>1.064105940e+01</a3><a4>-2.559465044e-04</a4><a5>5.654465630e-08</a5><a6>-6.486710320e-12</a6><a7>3.008171243e-16</a7><b1>-1.868435672e+04</b1><b2>-2.921304474e+01</b2></T_range></specie><specie inp_file_name="NaNO3"><identification><InChIKey>VWDWKYIASSYTQR-UHFFFAOYSA-N</InChIKey><canonical_smiles>[N+](=O)([O-])[O-].[Na+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>sodium;nitrate</IUPAC_name></identification><comment>Gurvich,1982 pt1 p355 pt2 p389.</comment><reference>tpis82</reference><elements><element Na="1" /><element N="1" /><element O="3" /></elements><condensed>False</condensed><molecular_weight>0.08499467</molecular_weight><hf298.15>-285528.711</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-2.043852507e+04</a1><a2>6.917093410e+02</a2><a3>-2.397485012e+00</a3><a4>4.100386430e-02</a4><a5>-5.141702580e-05</a5><a6>3.228622470e-08</a6><a7>-8.164691600e-12</a7><b1>-3.906401320e+04</b1><b2>4.174749459e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-3.225592190e+05</a1><a2>-1.396782195e+03</a2><a3>1.403092409e+01</a3><a4>-4.098161770e-04</a4><a5>9.023845720e-08</a5><a6>-1.032543966e-11</a6><a7>4.778671550e-16</a7><b1>-3.138889875e+04</b1><b2>-4.959121431e+01</b2></T_range></specie><specie inp_file_name="NaO"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1982 pt1 p318 pt2 p358.</comment><reference>tpis82</reference><elements><element Na="1" /><element O="1" /></elements><condensed>False</condensed><molecular_weight>0.038989170000000004</molecular_weight><hf298.15>106505.317</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.857748013e+04</a1><a2>-3.371497320e+02</a2><a3>5.644560020e+00</a3><a4>-3.136926368e-03</a4><a5>6.330775390e-06</a5><a6>-5.429462470e-09</a6><a7>1.687183770e-12</a7><b1>1.320332678e+04</b1><b2>-4.996131150e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>2.569744011e+05</a1><a2>-2.269334161e+03</a2><a3>9.224397620e+00</a3><a4>-3.651269100e-03</a4><a5>1.446811119e-06</a5><a6>-2.443068386e-10</a6><a7>1.428508328e-14</a7><b1>2.413239357e+04</b1><b2>-2.989159486e+01</b2></T_range></specie><specie inp_file_name="NaOH"><identification><InChIKey>HEMHJVSKTPXQMS-UHFFFAOYSA-M</InChIKey><canonical_smiles>[OH-].[Na+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>sodium;hydroxide</IUPAC_name></identification><comment>Gurvich,1996b.</comment><reference>g12/96</reference><elements><element Na="1" /><element O="1" /><element H="1" /></elements><condensed>False</condensed><molecular_weight>0.03999711</molecular_weight><hf298.15>-191000.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>3.442036740e+04</a1><a2>-7.923218180e+02</a2><a3>8.997932300e+00</a3><a4>-4.079844520e-03</a4><a5>3.065783937e-06</a5><a6>-5.119189340e-10</a6><a7>-1.541016409e-13</a7><b1>-2.086951091e+04</b1><b2>-2.510590090e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>8.753787760e+05</a1><a2>-2.342514649e+03</a2><a3>7.978469890e+00</a3><a4>1.016451512e-04</a4><a5>-6.268531950e-08</a5><a6>1.022715136e-11</a6><a7>-5.713286410e-16</a7><b1>-9.509901710e+03</b1><b2>-2.202310401e+01</b2></T_range></specie><specie inp_file_name="NaOH+"><identification><InChIKey>HEMHJVSKTPXQMS-UHFFFAOYSA-M</InChIKey><canonical_smiles>[OH-].[Na+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>sodium;hydroxide</IUPAC_name></identification><comment>Chase,1998 p1297 12/71. Jacox,1994.</comment><reference>g 2/01</reference><elements><element Na="1" /><element O="1" /><element H="1" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.0399965614</molecular_weight><hf298.15>683862.371</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>2.278039363e+04</a1><a2>-6.672194220e+02</a2><a3>8.921593120e+00</a3><a4>-4.481263270e-03</a4><a5>3.951883920e-06</a5><a6>-1.173341234e-09</a6><a7>2.041806631e-14</a7><b1>8.363382190e+04</b1><b2>-2.258912262e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>8.815413650e+05</a1><a2>-2.363159755e+03</a2><a3>8.053203930e+00</a3><a4>7.271279740e-05</a4><a5>-5.897417890e-08</a5><a6>1.007487881e-11</a6><a7>-5.474406210e-16</a7><b1>9.584441650e+04</b1><b2>-2.079484012e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>-2.839326542e+07</a1><a2>1.778338286e+04</a2><a3>2.821047612e+00</a3><a4>5.793749100e-04</a4><a5>-3.328793850e-08</a5><a6>9.421248450e-13</a6><a7>-1.072317149e-17</a7><b1>-6.175194270e+04</b1><b2>2.465488033e+01</b2></T_range></specie><specie inp_file_name="Na2"><identification><InChIKey>QXNVGIXVLWOKEQ-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Na][Na]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>sodiosodium</IUPAC_name></identification><comment>Gurvich,1982 pt1 p314 pt2 p357.</comment><reference>tpis82</reference><elements><element Na="2" /></elements><condensed>False</condensed><molecular_weight>0.04597954</molecular_weight><hf298.15>142339.125</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>6.848628680e+03</a1><a2>-1.530836599e+02</a2><a3>5.325230390e+00</a3><a4>-1.944906088e-03</a4><a5>2.657477888e-06</a5><a6>-9.096841120e-10</a6><a7>-2.448756730e-13</a7><b1>1.649170574e+04</b1><b2>-2.653564394e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.929940758e+07</a1><a2>-6.269280120e+04</a2><a3>8.267682110e+01</a3><a4>-4.565137810e-02</a4><a5>1.259515667e-05</a5><a6>-1.560445735e-09</a6><a7>7.024677170e-14</a7><b1>4.090820800e+05</b1><b2>-5.509970890e+02</b2></T_range></specie><specie inp_file_name="Na2Br2"><identification><InChIKey>PBARJOQXHJCTKK-UHFFFAOYSA-L</InChIKey><canonical_smiles>[Na+].[Na+].[Br-].[Br-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>disodium;dibromide</IUPAC_name></identification><comment>Gurvich,1982 pt1 p342 pt2 p380.</comment><reference>tpis82</reference><elements><element Na="2" /><element Br="2" /></elements><condensed>False</condensed><molecular_weight>0.20578754000000002</molecular_weight><hf298.15>-480848.453</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.384946731e+04</a1><a2>-1.573241177e+02</a2><a3>1.063192589e+01</a3><a4>-1.383418339e-03</a4><a5>1.697156537e-06</a5><a6>-1.092992547e-09</a6><a7>2.870988020e-13</a7><b1>-6.010391820e+04</b1><b2>-1.861473856e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-3.021730975e+04</a1><a2>-2.659232780e+00</a2><a3>1.000225819e+01</a3><a4>-9.935490630e-07</a4><a5>2.358676253e-10</a5><a6>-2.857194816e-14</a6><a7>1.381909879e-18</a7><b1>-6.090039920e+04</b1><b2>-1.494517863e+01</b2></T_range></specie><specie inp_file_name="Na2Cl2"><identification><InChIKey>OKBPCTLSPGDQBO-UHFFFAOYSA-L</InChIKey><canonical_smiles>[Na+].[Na+].[Cl-].[Cl-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>disodium;dichloride</IUPAC_name></identification><comment>Gurvich,1982 pt1 p338 pt2 p376.</comment><reference>tpis82</reference><elements><element Na="2" /><element Cl="2" /></elements><condensed>False</condensed><molecular_weight>0.11688554000000001</molecular_weight><hf298.15>-564401.783</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.082955250e+04</a1><a2>-3.139528641e+02</a2><a3>1.124411332e+01</a3><a4>-2.697665795e-03</a4><a5>3.286359480e-06</a5><a6>-2.105377639e-09</a6><a7>5.508056610e-13</a7><b1>-6.938675430e+04</b1><b2>-2.511011582e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-4.412105230e+04</a1><a2>-5.393491280e+00</a2><a3>1.000453407e+01</a3><a4>-1.981155641e-06</a4><a5>4.680188200e-10</a5><a6>-5.648940680e-14</a6><a7>2.724721177e-18</a7><b1>-7.098063410e+04</b1><b2>-1.787230397e+01</b2></T_range></specie><specie inp_file_name="Na2F2"><identification><InChIKey>FYAABNCYNWGSQX-UHFFFAOYSA-L</InChIKey><canonical_smiles>[F-].[F-].[Na+].[Na+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>disodium;difluoride</IUPAC_name></identification><comment>Gurvich,1982 pt1 p333 pt2 p372.</comment><reference>tpis82</reference><elements><element Na="2" /><element F="2" /></elements><condensed>False</condensed><molecular_weight>0.0839763464</molecular_weight><hf298.15>-834062.776</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>2.351580802e+04</a1><a2>-1.000737062e+03</a2><a3>1.375845076e+01</a3><a4>-7.838346980e-03</a4><a5>9.276288700e-06</a5><a6>-5.813612970e-09</a6><a7>1.495354820e-12</a7><b1>-9.835831880e+04</b1><b2>-4.381148090e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-9.030750690e+04</a1><a2>-1.893938035e+01</a2><a3>1.001535518e+01</a3><a4>-6.539675450e-06</a4><a5>1.516333603e-09</a5><a6>-1.804877459e-13</a6><a7>8.613474920e-18</a7><b1>-1.034896664e+05</b1><b2>-2.178860202e+01</b2></T_range></specie><specie inp_file_name="Na2I2"><identification><InChIKey>LVQSCKUKDKAQGO-UHFFFAOYSA-L</InChIKey><canonical_smiles>[Na+].[Na+].[I-].[I-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>disodium;diiodide</IUPAC_name></identification><comment>Gurvich,1982 pt1 p346 pt2 p383.</comment><reference>tpis82</reference><elements><element Na="2" /><element I="2" /></elements><condensed>False</condensed><molecular_weight>0.29978847999999997</molecular_weight><hf298.15>-356869.932</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.305063983e+04</a1><a2>-8.992506680e+01</a2><a3>1.036367976e+01</a3><a4>-8.000070190e-04</a4><a5>9.848777980e-07</a5><a6>-6.359373120e-10</a6><a7>1.673774775e-13</a7><b1>-4.551465490e+04</b1><b2>-1.487509548e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.231236397e+04</a1><a2>-1.515570558e+00</a2><a3>1.000129413e+01</a3><a4>-5.715035380e-07</a4><a5>1.360287207e-10</a5><a6>-1.650916036e-14</a6><a7>7.996149680e-19</a7><b1>-4.596921750e+04</b1><b2>-1.276523965e+01</b2></T_range></specie><specie inp_file_name="Na2O"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1982 pt1 p321 pt2 p361.</comment><reference>tpis82</reference><elements><element Na="2" /><element O="1" /></elements><condensed>False</condensed><molecular_weight>0.06197894</molecular_weight><hf298.15>-16559.830</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>3.901149290e+04</a1><a2>-7.266207890e+02</a2><a3>9.623710780e+00</a3><a4>-3.556418640e-03</a4><a5>3.470704350e-06</a5><a6>-1.835177736e-09</a6><a7>4.062134710e-13</a7><b1>-4.593073250e+02</b1><b2>-2.349565832e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-6.600525160e+04</a1><a2>-2.569021634e+01</a2><a3>7.519385420e+00</a3><a4>-7.811635240e-06</a4><a5>1.735015890e-09</a5><a6>-1.996634558e-13</a6><a7>9.276433550e-18</a7><b1>-4.297339650e+03</b1><b2>-1.063530214e+01</b2></T_range></specie><specie inp_file_name="Na2O+"><identification><InChIKey>KKCBUQHMOMHUOY-UHFFFAOYSA-N</InChIKey><canonical_smiles>[O-2].[Na+].[Na+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>disodium;oxygen(2-)</IUPAC_name></identification><comment>Gurvich,1982 pt1 p322 pt2 p362.</comment><reference>tpis82</reference><elements><element Na="2" /><element O="1" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.0619783914</molecular_weight><hf298.15>520833.968</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>2.647969755e+04</a1><a2>-5.969062160e+02</a2><a3>9.294129530e+00</a3><a4>-3.080702005e-03</a4><a5>3.080460653e-06</a5><a6>-1.669452593e-09</a6><a7>3.789784140e-13</a7><b1>6.347310250e+04</b1><b2>-2.025274459e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-5.740909330e+04</a1><a2>-1.989178143e+01</a2><a3>7.515295260e+00</a3><a4>-6.258333230e-06</a4><a5>1.407321045e-09</a5><a6>-1.635833952e-13</a6><a7>7.662445130e-18</a7><b1>6.032977470e+04</b1><b2>-9.426526740e+00</b2></T_range></specie><specie inp_file_name="Na2O2"><identification><InChIKey>PFUVRDFDKPNGAV-UHFFFAOYSA-N</InChIKey><canonical_smiles>[O-][O-].[Na+].[Na+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>disodium;peroxide</IUPAC_name></identification><comment>Gurvich,1982 pt1 p324 pt2 p364.</comment><reference>tpis82</reference><elements><element Na="2" /><element O="2" /></elements><condensed>False</condensed><molecular_weight>0.07797834000000001</molecular_weight><hf298.15>-123930.345</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>7.382458920e+04</a1><a2>-1.355125340e+03</a2><a3>1.255579861e+01</a3><a4>-2.112046045e-03</a4><a5>4.920353520e-08</a5><a6>1.003950603e-09</a6><a7>-4.447732070e-13</a7><b1>-1.058858918e+04</b1><b2>-4.021811780e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.732295239e+05</a1><a2>-1.137561118e+02</a2><a3>1.008529143e+01</a3><a4>-3.422098940e-05</a4><a5>7.577721890e-09</a5><a6>-8.701256730e-13</a6><a7>4.036061390e-17</a7><b1>-1.780300574e+04</b1><b2>-2.386789190e+01</b2></T_range></specie><specie inp_file_name="Na2O2H2"><identification><InChIKey>XGZRAKBCYZIBKP-UHFFFAOYSA-L</InChIKey><canonical_smiles>[OH-].[OH-].[Na+].[Na+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>disodium;dihydroxide</IUPAC_name></identification><comment>Gurvich,1996b.</comment><reference>g 8/01</reference><elements><element Na="2" /><element O="2" /><element H="2" /></elements><condensed>False</condensed><molecular_weight>0.07999422</molecular_weight><hf298.15>-624000.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.089414289e+05</a1><a2>-2.634822704e+03</a2><a3>2.306608858e+01</a3><a4>-1.689310193e-02</a4><a5>1.673483190e-05</a5><a6>-7.821166010e-09</a6><a7>1.475034470e-12</a7><b1>-6.593137330e+04</b1><b2>-9.802987580e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.675713839e+06</a1><a2>-4.704921170e+03</a2><a3>1.697343934e+01</a3><a4>1.961487616e-04</a4><a5>-1.236951748e-07</a5><a6>2.025311778e-11</a6><a7>-1.132991623e-15</a7><b1>-4.856245570e+04</b1><b2>-6.813480980e+01</b2></T_range></specie><specie 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Tlow="1000.0"><a1>-5.754483110e+05</a1><a2>-9.817060340e+02</a2><a3>1.973310397e+01</a3><a4>-2.936395520e-04</a4><a5>6.498708170e-08</a5><a6>-7.462479400e-12</a6><a7>3.462491660e-16</a7><b1>-1.270597762e+05</b1><b2>-7.667871596e+01</b2></T_range></specie><specie inp_file_name="Na3Cl3"><identification><InChIKey>NQSJDHNNJIQPNW-UHFFFAOYSA-K</InChIKey><canonical_smiles>[Na+].[Na+].[Na+].[Cl-].[Cl-].[Cl-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>trisodium;trichloride</IUPAC_name></identification><comment>Gurvich,1982 pt1 p339 pt2 p377.</comment><reference>tpis82</reference><elements><element Na="3" /><element Cl="3" /></elements><condensed>False</condensed><molecular_weight>0.17532831</molecular_weight><hf298.15>-912674.509</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.254216670e+04</a1><a2>-5.502160460e+02</a2><a3>1.816110649e+01</a3><a4>-4.656515260e-03</a4><a5>5.646438220e-06</a5><a6>-3.604760320e-09</a6><a7>9.405556240e-13</a7><b1>-1.119270172e+05</b1><b2>-5.290104960e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-7.160297970e+04</a1><a2>-9.573493810e+00</a2><a3>1.600799614e+01</a3><a4>-3.478356970e-06</a4><a5>8.190943690e-10</a5><a6>-9.863210030e-14</a6><a7>4.749005350e-18</a7><b1>-1.147252948e+05</b1><b2>-4.031342160e+01</b2></T_range></specie><specie inp_file_name="Na3F3"><identification><InChIKey>IPGCWJZKTTZTSB-UHFFFAOYSA-K</InChIKey><canonical_smiles>[F-].[F-].[F-].[Na+].[Na+].[Na+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>trisodium;trifluoride</IUPAC_name></identification><comment>Gurvich,1982 pt1 p334 pt2 p373.</comment><reference>tpis82</reference><elements><element Na="3" /><element F="3" /></elements><condensed>False</condensed><molecular_weight>0.1259645196</molecular_weight><hf298.15>-1348015.386</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>5.247030350e+04</a1><a2>-1.775597273e+03</a2><a3>2.250927609e+01</a3><a4>-1.333033615e-02</a4><a5>1.555790239e-05</a5><a6>-9.646011460e-09</a6><a7>2.460254271e-12</a7><b1>-1.580736389e+05</b1><b2>-8.580122370e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.553995698e+05</a1><a2>-3.551970190e+01</a2><a3>1.602841159e+01</a3><a4>-1.198056094e-05</a4><a5>2.757248730e-09</a5><a6>-3.263300970e-13</a6><a7>1.550483212e-17</a7><b1>-1.672141773e+05</b1><b2>-4.753780680e+01</b2></T_range></specie><specie inp_file_name="Nb"><identification><InChIKey>GUCVJGMIXFAOAE-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Nb]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>niobium</IUPAC_name></identification><comment>Hf:Gurvich,1982. Moore,1971. Moore,1970a. Gordon,1999.</comment><reference>g 3/98</reference><elements><element Nb="1" /></elements><condensed>False</condensed><molecular_weight>0.09290638</molecular_weight><hf298.15>723113.099</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>7.889660670e+04</a1><a2>-1.212813914e+03</a2><a3>1.034579819e+01</a3><a4>-1.676630056e-02</a4><a5>1.979119979e-05</a5><a6>-1.218224409e-08</a6><a7>3.058098336e-12</a7><b1>9.165315140e+04</b1><b2>-3.594742850e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.096553196e+06</a1><a2>2.546650713e+03</a2><a3>2.236054882e+00</a3><a4>-1.280029198e-03</a4><a5>8.464237990e-07</a5><a6>-1.486269508e-10</a6><a7>8.714309406e-15</a7><b1>6.879124550e+04</b1><b2>1.398169030e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>1.818626365e+09</a1><a2>-1.032414940e+06</a2><a3>2.308238005e+02</a3><a4>-2.445004311e-02</a4><a5>1.395626888e-06</a5><a6>-4.087233010e-11</a6><a7>4.826490497e-16</a7><b1>8.359622560e+06</b1><b2>-1.997797290e+03</b2></T_range></specie><specie inp_file_name="Nb+"><identification><InChIKey>GUCVJGMIXFAOAE-IGMARMGPSA-N</InChIKey><canonical_smiles>[Nb]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>niobium-93</IUPAC_name></identification><comment>Moore,1971. Moore,1970a. Gordon,1999.</comment><reference>g 7/97</reference><elements><element Nb="1" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.0929058314</molecular_weight><hf298.15>1393604.675</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>1.314447859e+05</a1><a2>-2.000135035e+03</a2><a3>1.505024212e+01</a3><a4>-2.996583942e-02</a4><a5>3.729868630e-05</a5><a6>-2.269869569e-08</a6><a7>5.449089902e-12</a7><b1>1.760054029e+05</b1><b2>-6.224595520e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.077639646e+06</a1><a2>2.159046421e+03</a2><a3>2.310604767e+00</a3><a4>-5.363991760e-04</a4><a5>5.057915090e-07</a5><a6>-1.032401533e-10</a6><a7>6.629241280e-15</a7><b1>1.517945546e+05</b1><b2>1.210678502e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>1.876113970e+07</a1><a2>-2.202847919e+04</a2><a3>1.427004521e+01</a3><a4>-2.295936786e-03</a4><a5>2.430819459e-07</a5><a6>-1.116131589e-11</a6><a7>1.836221996e-16</a7><b1>3.245415600e+05</b1><b2>-8.494555710e+01</b2></T_range></specie><specie inp_file_name="Nb-"><identification><InChIKey>GUCVJGMIXFAOAE-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Nb]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>niobium</IUPAC_name></identification><comment>Hotop,1985. Gordon,1999.</comment><reference>g 9/97</reference><elements><element Nb="1" /><element E="1" /></elements><condensed>False</condensed><molecular_weight>0.0929069286</molecular_weight><hf298.15>631054.008</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>-7.220924850e+04</a1><a2>5.259501250e+02</a2><a3>3.470468390e+00</a3><a4>-4.950505530e-03</a4><a5>7.401859030e-06</a5><a6>-5.016302070e-09</a6><a7>1.314100719e-12</a7><b1>7.178828870e+04</b1><b2>5.155510070e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.117458019e+05</a1><a2>1.340072834e+02</a2><a3>2.391474129e+00</a3><a4>4.524813430e-05</a4><a5>-1.025345000e-08</a5><a6>1.195577988e-12</a6><a7>-5.606330450e-17</a7><b1>7.473996750e+04</b1><b2>9.675315610e+00</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>-1.279446680e+05</a1><a2>1.664265071e+02</a2><a3>2.463334336e+00</a3><a4>4.161717840e-06</a4><a5>-2.573750764e-10</a5><a6>8.239892930e-15</a6><a7>-1.069096936e-19</a7><b1>7.430433860e+04</b1><b2>9.186188470e+00</b2></T_range></specie><specie inp_file_name="NbCl5"><identification><InChIKey>YHBDIEWMOMLKOO-UHFFFAOYSA-I</InChIKey><canonical_smiles>Cl[Nb](Cl)(Cl)(Cl)Cl</canonical_smiles><cas_number>10026-12-7</cas_number><IUPAC_name>pentachloroniobium</IUPAC_name></identification><comment>Chase,1998 p918.</comment><reference>j12/74</reference><elements><element Nb="1" /><element Cl="5" /></elements><condensed>False</condensed><molecular_weight>0.27017138</molecular_weight><hf298.15>-703330.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>7.348277970e+04</a1><a2>-1.919172996e+03</a2><a3>2.290799567e+01</a3><a4>-1.404352774e-02</a4><a5>1.638106985e-05</a5><a6>-1.018941843e-08</a6><a7>2.612266639e-12</a7><b1>-7.974118810e+04</b1><b2>-8.439637087e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.563816638e+05</a1><a2>-4.450521280e+01</a2><a3>1.603544630e+01</a3><a4>-1.489949737e-05</a4><a5>3.420777920e-09</a5><a6>-4.041124420e-13</a6><a7>1.917266128e-17</a7><b1>-8.962815120e+04</b1><b2>-4.374582607e+01</b2></T_range></specie><specie inp_file_name="NbO"><identification><InChIKey>BFRGSJVXBIWTCF-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[Nb]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>oxoniobium</IUPAC_name></identification><comment>Gurvich,1982 pt1 p76 pt2 p78.</comment><reference>tpis82</reference><elements><element Nb="1" /><element O="1" /></elements><condensed>False</condensed><molecular_weight>0.10890578</molecular_weight><hf298.15>210988.706</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-6.797834360e+03</a1><a2>2.839767438e+02</a2><a3>5.645708400e-01</a3><a4>1.134928619e-02</a4><a5>-1.549821141e-05</a5><a6>1.047624988e-08</a6><a7>-2.762937835e-12</a7><b1>2.317993893e+04</b1><b2>2.365708974e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>5.532258780e+05</a1><a2>-1.287669306e+03</a2><a3>4.980066040e+00</a3><a4>1.116014163e-04</a4><a5>4.031838680e-08</a5><a6>1.048773710e-11</a6><a7>-1.893595022e-15</a7><b1>3.268457790e+04</b1><b2>-1.868958549e+00</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>5.210846640e+07</a1><a2>-7.508889140e+04</a2><a3>3.023869608e+01</a3><a4>-2.881829240e-03</a4><a5>1.595446362e-07</a5><a6>-4.532772640e-12</a6><a7>5.266479160e-17</a7><b1>5.788974420e+05</b1><b2>-2.169255418e+02</b2></T_range></specie><specie inp_file_name="NbOCl3"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Barin,1989. Wagman,1982.</comment><reference>bar 89</reference><elements><element Nb="1" /><element O="1" /><element Cl="3" /></elements><condensed>False</condensed><molecular_weight>0.21526478</molecular_weight><hf298.15>-752300.000</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>-1.108482359e+05</a1><a2>1.173066983e+02</a2><a3>1.165558433e+01</a3><a4>1.287422064e-03</a4><a5>-1.659778281e-06</a5><a6>1.102107826e-09</a6><a7>-2.949903264e-13</a7><b1>-9.504023920e+04</b1><b2>-2.386450092e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.515551427e+05</a1><a2>5.305545230e+01</a2><a3>1.228915282e+01</a3><a4>-1.527366571e-04</a4><a5>6.778576440e-08</a5><a6>-9.365170650e-12</a6><a7>4.670036930e-16</a7><b1>-9.490768120e+04</b1><b2>-2.745263834e+01</b2></T_range></specie><specie inp_file_name="NbO2"><identification><InChIKey>HFLAMWCKUFHSAZ-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[Nb]=O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dioxoniobium</IUPAC_name></identification><comment>Gurvich,1982 pt1 p80 pt2 p81.</comment><reference>tpis82</reference><elements><element Nb="1" /><element O="2" /></elements><condensed>False</condensed><molecular_weight>0.12490518</molecular_weight><hf298.15>-201266.752</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.739046582e+04</a1><a2>3.881029440e+01</a2><a3>9.024299120e-01</a3><a4>1.909523319e-02</a4><a5>-2.667013583e-05</a5><a6>1.813901051e-08</a6><a7>-4.872365880e-12</a7><b1>-2.528518558e+04</b1><b2>2.289323379e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-6.851859900e+05</a1><a2>9.112249320e+02</a2><a3>6.339199840e+00</a3><a4>-8.230080300e-05</a4><a5>1.984439605e-07</a5><a6>-3.261171490e-11</a6><a7>1.602430854e-15</a7><b1>-3.325027320e+04</b1><b2>-3.559556550e+00</b2></T_range></specie><specie inp_file_name="Ne"><identification><InChIKey>GKAOGPIIYCISHV-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Ne]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>neon</IUPAC_name></identification><comment>Ref-Elm. Moore,1971. Moore,1970a. Gordon,1999.</comment><reference>g 5/97</reference><elements><element Ne="1" /></elements><condensed>False</condensed><molecular_weight>0.020179700000000002</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.500000000e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-7.453750000e+02</b1><b2>3.355322720e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.500000000e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-7.453750000e+02</b1><b2>3.355322720e+00</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>-1.238252746e+07</a1><a2>6.958579580e+03</a2><a3>1.016709287e+00</a3><a4>1.424664555e-04</a4><a5>-4.803933930e-09</a5><a6>-1.170213183e-13</a6><a7>8.415153652e-18</a7><b1>-5.663933630e+04</b1><b2>1.648438697e+01</b2></T_range></specie><specie inp_file_name="Ne+"><identification><InChIKey>GKAOGPIIYCISHV-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Ne]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>neon</IUPAC_name></identification><comment>Moore,1971. Moore,1970a. Gordon,1999.</comment><reference>g 3/97</reference><elements><element Ne="1" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.020179151399999998</molecular_weight><hf298.15>2086965.946</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>7.281551480e+04</a1><a2>-8.695697990e+02</a2><a3>6.108646970e+00</a3><a4>-5.841356930e-03</a4><a5>5.041044170e-06</a5><a6>-2.293759207e-09</a6><a7>4.339065680e-13</a7><b1>2.545996890e+05</b1><b2>-1.673449355e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.112742658e+05</a1><a2>4.765697970e+02</a2><a3>2.196650531e+00</a3><a4>1.102593151e-04</a4><a5>-2.287564425e-08</a5><a6>2.510218183e-12</a6><a7>-1.126646096e-16</a7><b1>2.472536944e+05</b1><b2>7.466140540e+00</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>-5.615474110e+04</a1><a2>1.418980160e+02</a2><a3>2.475716842e+00</a3><a4>1.944430992e-06</a4><a5>-6.323099200e-11</a5><a6>-1.313313446e-16</a6><a7>3.534699010e-20</a7><b1>2.494452217e+05</b1><b2>5.366882220e+00</b2></T_range></specie><specie inp_file_name="Ni"><identification><InChIKey>PXHVJJICTQNCMI-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Ni]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>nickel</IUPAC_name></identification><comment>Hf:Hultgren,1973. Litzen,1993. Gordon,1999.</comment><reference>g 8/97</reference><elements><element Ni="1" /></elements><condensed>False</condensed><molecular_weight>0.0586934</molecular_weight><hf298.15>430116.605</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-3.235810550e+04</a1><a2>6.015264620e+02</a2><a3>-1.079270657e+00</a3><a4>1.089505519e-02</a4><a5>-1.369578748e-05</a5><a6>8.317725790e-09</a6><a7>-2.019206968e-12</a7><b1>4.813810810e+04</b1><b2>2.718829200e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-4.938262210e+05</a1><a2>1.092909991e+03</a2><a3>2.410485014e+00</a3><a4>-1.599071827e-05</a4><a5>-1.047414069e-08</a5><a6>4.624795210e-12</a6><a7>-4.448865218e-17</a7><b1>4.336072170e+04</b1><b2>9.677195600e+00</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>3.492669880e+08</a1><a2>-1.654227575e+05</a2><a3>3.349869360e+01</a3><a4>-3.527085900e-03</a4><a5>3.240060240e-07</a5><a6>-1.604177606e-11</a6><a7>2.935430214e-16</a7><b1>1.409017848e+06</b1><b2>-2.672455567e+02</b2></T_range></specie><specie inp_file_name="Ni+"><identification><InChIKey>PXHVJJICTQNCMI-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Ni]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>nickel</IUPAC_name></identification><comment>Sugar,1985. Gordon,1999.</comment><reference>g 8/97</reference><elements><element Ni="1" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.0586928514</molecular_weight><hf298.15>1172594.573</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>-8.969386030e+04</a1><a2>1.173601500e+03</a2><a3>-3.410620410e+00</a3><a4>1.390739137e-02</a4><a5>-1.501714923e-05</a5><a6>7.896337900e-09</a6><a7>-1.648686761e-12</a7><b1>1.345589500e+05</b1><b2>4.031495160e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-3.961999320e+06</a1><a2>1.017084853e+04</a2><a3>-6.029331290e+00</a3><a4>2.770858029e-03</a4><a5>-8.902077700e-08</a5><a6>-5.541000580e-11</a6><a7>5.235342833e-15</a7><b1>7.340395120e+04</b1><b2>7.137503100e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>5.286662360e+07</a1><a2>-3.719827100e+04</a2><a3>1.470794435e+01</a3><a4>-1.489309517e-03</a4><a5>8.648712770e-08</a5><a6>-1.705443550e-12</a6><a7>5.049635419e-18</a7><b1>4.253204090e+05</b1><b2>-9.590502160e+01</b2></T_range></specie><specie inp_file_name="Ni-"><identification><InChIKey>PXHVJJICTQNCMI-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Ni]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>nickel</IUPAC_name></identification><comment>Hotop,1985. Gordon,1999.</comment><reference>g 9/97</reference><elements><element Ni="1" /><element E="1" /></elements><condensed>False</condensed><molecular_weight>0.0586939486</molecular_weight><hf298.15>311764.357</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>-8.437624750e+04</a1><a2>1.135476552e+03</a2><a3>-3.380615830e+00</a3><a4>1.423003786e-02</a4><a5>-1.582586302e-05</a5><a6>8.608840410e-09</a6><a7>-1.875316029e-12</a7><b1>3.124307590e+04</b1><b2>3.998061300e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-5.433424800e+05</a1><a2>1.182645330e+03</a2><a3>2.126441240e+00</a3><a4>3.730455940e-05</a4><a5>6.953608430e-09</a5><a6>-1.945719381e-12</a6><a7>1.271571579e-16</a7><b1>2.854759122e+04</b1><b2>1.043462235e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>2.235741343e+06</a1><a2>-7.539321100e+02</a2><a3>2.675777011e+00</a3><a4>-2.056834268e-05</a4><a5>1.297167360e-09</a5><a6>-4.210909080e-14</a6><a7>5.520885950e-19</a7><b1>4.359114370e+04</b1><b2>5.724516640e+00</b2></T_range></specie><specie inp_file_name="NiCl"><identification><InChIKey>GGVOVPORYPQPCE-UHFFFAOYSA-M</InChIKey><canonical_smiles>Cl[Ni]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>chloronickel</IUPAC_name></identification><comment>Chase,1998 p794.</comment><reference>j 9/77</reference><elements><element Ni="1" /><element Cl="1" /></elements><condensed>False</condensed><molecular_weight>0.0941464</molecular_weight><hf298.15>182004.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-2.357997085e+04</a1><a2>2.205491630e+02</a2><a3>2.714260287e+00</a3><a4>4.453598470e-03</a4><a5>-2.849162229e-06</a5><a6>-1.691898007e-10</a6><a7>5.156699260e-13</a7><b1>1.957229490e+04</b1><b2>1.423643068e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-3.905769190e+06</a1><a2>9.961533990e+03</a2><a3>-3.839432340e+00</a3><a4>2.767979391e-03</a4><a5>-7.005959380e-08</a5><a6>-5.741403660e-11</a6><a7>5.307635800e-15</a7><b1>-4.505397050e+04</b1><b2>6.769402548e+01</b2></T_range></specie><specie inp_file_name="NiCl2"><identification><InChIKey>QMMRZOWCJAIUJA-UHFFFAOYSA-L</InChIKey><canonical_smiles>Cl[Ni]Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dichloronickel</IUPAC_name></identification><comment>Chase,1998 p840.</comment><reference>j 9/77</reference><elements><element Ni="1" /><element Cl="2" /></elements><condensed>False</condensed><molecular_weight>0.1295994</molecular_weight><hf298.15>-73931.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>7.109976530e+04</a1><a2>-1.218958288e+03</a2><a3>1.208750596e+01</a3><a4>-8.674403140e-03</a4><a5>1.043608104e-05</a5><a6>-6.298493010e-09</a6><a7>1.485857653e-12</a7><b1>-5.006998710e+03</b1><b2>-3.499472036e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.585889817e+05</a1><a2>-1.161488738e+03</a2><a3>9.608015380e+00</a3><a4>-9.461224510e-04</a4><a5>2.608172043e-07</a5><a6>-3.264637250e-11</a6><a7>1.525950893e-15</a7><b1>-4.578985540e+03</b1><b2>-2.212397347e+01</b2></T_range></specie><specie inp_file_name="NiO"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Pedley,1983 p1012 p1019.</comment><reference>g12/00</reference><elements><element Ni="1" /><element O="1" /></elements><condensed>False</condensed><molecular_weight>0.0746928</molecular_weight><hf298.15>297064.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>2.320630462e+04</a1><a2>-1.907136094e+02</a2><a3>3.190178620e+00</a3><a4>5.291383490e-03</a4><a5>-8.080210430e-06</a5><a6>5.839812760e-09</a6><a7>-1.639499596e-12</a7><b1>3.576711120e+04</b1><b2>7.841265670e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-7.234091940e+04</a1><a2>-8.035554270e+01</a2><a3>4.559221020e+00</a3><a4>2.305154510e-05</a4><a5>5.139832820e-09</a5><a6>-5.853474910e-13</a6><a7>2.697077329e-17</a7><b1>3.461143850e+04</b1><b2>1.209414814e+00</b2></T_range></specie><specie inp_file_name="NiS"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Chase,1998 p1707.</comment><reference>j12/76</reference><elements><element Ni="1" /><element S="1" /></elements><condensed>False</condensed><molecular_weight>0.09075839999999999</molecular_weight><hf298.15>357419.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.272488974e+04</a1><a2>1.432801381e+02</a2><a3>2.471951556e+00</a3><a4>5.505271120e-03</a4><a5>-3.418355280e-06</a5><a6>-3.099052241e-10</a6><a7>6.268154670e-13</a7><b1>4.117716080e+04</b1><b2>1.517981835e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-7.358128980e+05</a1><a2>1.178231095e+03</a2><a3>4.837865580e+00</a3><a4>-3.931201390e-04</a4><a5>1.341974852e-07</a5><a6>-1.569591708e-11</a6><a7>6.677045060e-16</a7><b1>3.275565940e+04</b1><b2>3.690652283e+00</b2></T_range></specie><specie inp_file_name="O"><identification><InChIKey>QVGXLLKOCUKJST-UHFFFAOYSA-N</InChIKey><canonical_smiles>[O]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>oxygen</IUPAC_name></identification><comment>D0(O2):Brix,1954. Moore,1976. Gordon,1999.</comment><reference>g 5/97</reference><elements><element O="1" /></elements><condensed>False</condensed><molecular_weight>0.0159994</molecular_weight><hf298.15>249175.003</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-7.953611300e+03</a1><a2>1.607177787e+02</a2><a3>1.966226438e+00</a3><a4>1.013670310e-03</a4><a5>-1.110415423e-06</a5><a6>6.517507500e-10</a6><a7>-1.584779251e-13</a7><b1>2.840362437e+04</b1><b2>8.404241820e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>2.619020262e+05</a1><a2>-7.298722030e+02</a2><a3>3.317177270e+00</a3><a4>-4.281334360e-04</a4><a5>1.036104594e-07</a5><a6>-9.438304330e-12</a6><a7>2.725038297e-16</a7><b1>3.392428060e+04</b1><b2>-6.679585350e-01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>1.779004264e+08</a1><a2>-1.082328257e+05</a2><a3>2.810778365e+01</a3><a4>-2.975232262e-03</a4><a5>1.854997534e-07</a5><a6>-5.796231540e-12</a6><a7>7.191720164e-17</a7><b1>8.890942630e+05</b1><b2>-2.181728151e+02</b2></T_range></specie><specie inp_file_name="O+"><identification><InChIKey>QVGXLLKOCUKJST-UHFFFAOYSA-N</InChIKey><canonical_smiles>[O]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>oxygen</IUPAC_name></identification><comment>Martin,W.C.,1993. Gordon,1999.</comment><reference>g 8/97</reference><elements><element O="1" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.0159988514</molecular_weight><hf298.15>1568787.228</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.500000000e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>1.879352842e+05</b1><b2>4.393376760e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.166513208e+05</a1><a2>6.665456150e+02</a2><a3>1.702064364e+00</a3><a4>4.714992810e-04</a4><a5>-1.427131823e-07</a5><a6>2.016595903e-11</a6><a7>-9.107157762e-16</a7><b1>1.837191966e+05</b1><b2>1.005690382e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>-2.143835383e+08</a1><a2>1.469518523e+05</a2><a3>-3.680864540e+01</a3><a4>5.036164540e-03</a4><a5>-3.087873854e-07</a5><a6>9.186834870e-12</a6><a7>-1.074163268e-16</a7><b1>-9.614208960e+05</b1><b2>3.426193080e+02</b2></T_range></specie><specie inp_file_name="O-"><identification><InChIKey>QVGXLLKOCUKJST-UHFFFAOYSA-N</InChIKey><canonical_smiles>[O]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>oxygen</IUPAC_name></identification><comment>Gurvich,1989 pt1 p93. Hotop,1985. Gordon,1999.</comment><reference>g 1/97</reference><elements><element O="1" /><element E="1" /></elements><condensed>False</condensed><molecular_weight>0.0159999486</molecular_weight><hf298.15>101846.192</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>-5.695857110e+03</a1><a2>1.099287334e+02</a2><a3>2.184719661e+00</a3><a4>5.326359800e-04</a4><a5>-5.298878440e-07</a5><a6>2.870216236e-10</a6><a7>-6.524692740e-14</a7><b1>1.093287498e+04</b1><b2>6.729863860e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>9.769363180e+03</a1><a2>7.159604780e+00</a2><a3>2.494961726e+00</a3><a4>1.968240938e-06</a4><a5>-4.304174850e-10</a5><a6>4.912083080e-14</a6><a7>-2.271600083e-18</a7><b1>1.149554438e+04</b1><b2>4.837036440e+00</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>5.662391000e+02</a1><a2>7.572340320e+00</a2><a3>2.498352500e+00</a3><a4>1.862632395e-07</a4><a5>-1.151227211e-11</a5><a6>3.688814210e-16</a6><a7>-4.793297600e-21</a7><b1>1.148426000e+04</b1><b2>4.813406590e+00</b2></T_range></specie><specie inp_file_name="OD"><identification><InChIKey>TUJKJAMUKRIRHC-MICDWDOJSA-N</InChIKey><canonical_smiles>[OH]</canonical_smiles><cas_number>13587-54-7</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>D0(OH)with ZPEadj. Gurvich,1989 pt1 p135 pt2 p47.</comment><reference>g 4/02</reference><elements><element O="1" /><element D="1" /></elements><condensed>False</condensed><molecular_weight>0.018013502</molecular_weight><hf298.15>35172.008</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>2.118691536e+04</a1><a2>-2.785982360e+02</a2><a3>5.456210120e+00</a3><a4>-6.148119830e-03</a4><a5>9.117670560e-06</a5><a6>-5.527812710e-09</a6><a7>1.239794711e-12</a7><b1>0.000000000e+00</b1><b2>4.464878250e+03</b2><b3>-7.616618910e+00</b3></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>7.832473160e+05</a1><a2>-2.532992554e+03</a2><a3>5.952124650e+00</a3><a4>-3.743595280e-04</a4><a5>4.959527620e-08</a5><a6>3.454454730e-12</a6><a7>-7.380626800e-16</a7><b1>0.000000000e+00</b1><b2>1.930492973e+04</b2><b3>-1.568898441e+01</b3></T_range></specie><specie inp_file_name="OD-"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1989 pt1 p137 pt2 p48.</comment><reference>g 4/02</reference><elements><element O="1" /><element D="1" /><element E="1" /></elements><condensed>False</condensed><molecular_weight>0.0180140506</molecular_weight><hf298.15>-147557.896</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>5.606128320e+04</a1><a2>-7.514156150e+02</a2><a3>7.544188470e+00</a3><a4>-1.092083064e-02</a4><a5>1.503688938e-05</a5><a6>-9.351665840e-09</a6><a7>2.246466046e-12</a7><b1>0.000000000e+00</b1><b2>-1.515707370e+04</b2><b3>-2.106498377e+01</b3></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>3.029467029e+05</a1><a2>-1.079684654e+03</a2><a3>4.211417380e+00</a3><a4>6.260830070e-04</a4><a5>-2.411665054e-07</a5><a6>4.248425540e-11</a6><a7>-2.387099102e-15</a7><b1>0.000000000e+00</b1><b2>-1.188935343e+04</b2><b3>-4.724898790e+00</b3></T_range></specie><specie inp_file_name="OH"><identification><InChIKey>XLYOFNOQVPJJNP-UHFFFAOYSA-M</InChIKey><canonical_smiles>[OH-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>hydroxide</IUPAC_name></identification><comment>D0(H-OH): Ruscic,2002. Gurvich,1978 pt1 p110 pt2 p37.</comment><reference>g 4/02</reference><elements><element O="1" /><element H="1" /></elements><condensed>False</condensed><molecular_weight>0.01700734</molecular_weight><hf298.15>37278.206</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.998858990e+03</a1><a2>9.300136160e+01</a2><a3>3.050854229e+00</a3><a4>1.529529288e-03</a4><a5>-3.157890998e-06</a5><a6>3.315446180e-09</a6><a7>-1.138762683e-12</a7><b1>0.000000000e+00</b1><b2>2.991214235e+03</b2><b3>4.674110790e+00</b3></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.017393379e+06</a1><a2>-2.509957276e+03</a2><a3>5.116547860e+00</a3><a4>1.305299930e-04</a4><a5>-8.284322260e-08</a5><a6>2.006475941e-11</a6><a7>-1.556993656e-15</a7><b1>0.000000000e+00</b1><b2>2.019640206e+04</b2><b3>-1.101282337e+01</b3></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>2.847234193e+08</a1><a2>-1.859532612e+05</a2><a3>5.008240900e+01</a3><a4>-5.142374980e-03</a4><a5>2.875536589e-07</a5><a6>-8.228817960e-12</a6><a7>9.567229020e-17</a7><b1>0.000000000e+00</b1><b2>1.468393908e+06</b2><b3>-4.023555580e+02</b3></T_range></specie><specie inp_file_name="OH+"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>IP: Wiedmann,1992. Gurvich,1978 v1 pt2 p39.</comment><reference>g 4/02</reference><elements><element O="1" /><element H="1" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.017006791400000002</molecular_weight><hf298.15>1299213.203</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>6.031630860e+04</a1><a2>-7.573520300e+02</a2><a3>7.307752930e+00</a3><a4>-9.506881670e-03</a4><a5>1.202555795e-05</a5><a6>-6.829026100e-09</a6><a7>1.501588659e-12</a7><b1>0.000000000e+00</b1><b2>1.589262158e+05</b2><b3>-1.950106996e+01</b3></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>5.040729100e+05</a1><a2>-1.380052958e+03</a2><a3>4.125462200e+00</a3><a4>8.331948840e-04</a4><a5>-3.442856290e-07</a5><a6>6.792853950e-11</a6><a7>-4.363872130e-15</a7><b1>0.000000000e+00</b1><b2>1.643839235e+05</b2><b3>-3.997058490e+00</b3></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>1.158286700e+09</a1><a2>-6.841280390e+05</a2><a3>1.576194558e+02</a3><a4>-1.618421339e-02</a4><a5>8.846128780e-07</a5><a6>-2.475038507e-11</a6><a7>2.807730875e-16</a7><b1>0.000000000e+00</b1><b2>5.616597180e+06</b2><b3>-1.351879042e+03</b3></T_range></specie><specie inp_file_name="OH-"><identification><InChIKey>XLYOFNOQVPJJNP-UHFFFAOYSA-M</InChIKey><canonical_smiles>[OH-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>hydroxide</IUPAC_name></identification><comment>Gurvich,1989 pt1 p118 pt2 p32.</comment><reference>g 4/02</reference><elements><element O="1" /><element H="1" /><element E="1" /></elements><condensed>False</condensed><molecular_weight>0.0170078886</molecular_weight><hf298.15>-145256.196</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>2.910880827e+04</a1><a2>-3.216904940e+02</a2><a3>4.851029050e+00</a3><a4>-2.579035357e-03</a4><a5>2.004980024e-06</a5><a6>-7.956852960e-11</a6><a7>-2.320495634e-13</a7><b1>0.000000000e+00</b1><b2>-1.688886234e+04</b2><b3>-7.121591300e+00</b3></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>4.711331170e+05</a1><a2>-8.572336690e+02</a2><a3>3.166181210e+00</a3><a4>1.233581296e-03</a4><a5>-3.999244580e-07</a5><a6>6.239081670e-11</a6><a7>-3.354343220e-15</a7><b1>0.000000000e+00</b1><b2>-1.224849139e+04</b2><b3>1.487736260e+00</b3></T_range></specie><specie inp_file_name="O2"><identification><InChIKey>MYMOFIZGZYHOMD-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>molecular oxygen</IUPAC_name></identification><comment>Ref-Elm. Gurvich,1989 pt1 p94 pt2 p9.</comment><reference>tpis89</reference><elements><element O="2" /></elements><condensed>False</condensed><molecular_weight>0.0319988</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-3.425563420e+04</a1><a2>4.847000970e+02</a2><a3>1.119010961e+00</a3><a4>4.293889240e-03</a4><a5>-6.836300520e-07</a5><a6>-2.023372700e-09</a6><a7>1.039040018e-12</a7><b1>-3.391454870e+03</b1><b2>1.849699470e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.037939022e+06</a1><a2>2.344830282e+03</a2><a3>1.819732036e+00</a3><a4>1.267847582e-03</a4><a5>-2.188067988e-07</a5><a6>2.053719572e-11</a6><a7>-8.193467050e-16</a7><b1>-1.689010929e+04</b1><b2>1.738716506e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>4.975294300e+08</a1><a2>-2.866106874e+05</a2><a3>6.690352250e+01</a3><a4>-6.169959020e-03</a4><a5>3.016396027e-07</a5><a6>-7.421416600e-12</a6><a7>7.278175770e-17</a7><b1>2.293554027e+06</b1><b2>-5.530621610e+02</b2></T_range></specie><specie inp_file_name="O2+"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1989 pt1 p98 pt2 p11.</comment><reference>tpis89</reference><elements><element O="2" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.031998251400000004</molecular_weight><hf298.15>1171828.436</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>-8.607205450e+04</a1><a2>1.051875934e+03</a2><a3>-5.432380470e-01</a3><a4>6.571166540e-03</a4><a5>-3.274263750e-06</a5><a6>5.940645340e-11</a6><a7>3.238784790e-13</a7><b1>1.345544668e+05</b1><b2>2.902709750e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>7.384654880e+04</a1><a2>-8.459559540e+02</a2><a3>4.985164160e+00</a3><a4>-1.611010890e-04</a4><a5>6.427083990e-08</a5><a6>-1.504939874e-11</a6><a7>1.578465409e-15</a7><b1>1.446321044e+05</b1><b2>-5.811230650e+00</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>-1.562125524e+09</a1><a2>1.161406778e+06</a2><a3>-3.302504720e+02</a3><a4>4.710937520e-02</a4><a5>-3.354461380e-06</a5><a6>1.167968599e-10</a6><a7>-1.589754791e-15</a7><b1>-8.857866270e+06</b1><b2>2.852035602e+03</b2></T_range></specie><specie inp_file_name="O2-"><identification><InChIKey>OUUQCZGPVNCOIJ-UHFFFAOYSA-M</InChIKey><canonical_smiles>[O-][O]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1989 pt1 p100 pt2 p13.</comment><reference>g11/99</reference><elements><element O="2" /><element E="1" /></elements><condensed>False</condensed><molecular_weight>0.0319993486</molecular_weight><hf298.15>-48027.921</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>1.883874344e+04</a1><a2>1.149551768e+02</a2><a3>1.518876821e+00</a3><a4>8.016111380e-03</a4><a5>-9.850571030e-06</a5><a6>6.044196210e-09</a6><a7>-1.486439845e-12</a7><b1>-7.101538760e+03</b1><b2>1.501210380e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-5.655208050e+04</a1><a2>-2.367815862e+02</a2><a3>4.675833670e+00</a3><a4>-2.197245300e-05</a4><a5>1.711509280e-08</a5><a6>-1.757645062e-12</a6><a7>8.248172790e-17</a7><b1>-5.960177750e+03</b1><b2>-2.436885556e+00</b2></T_range></specie><specie inp_file_name="O3"><identification><InChIKey>CBENFWSGALASAD-UHFFFAOYSA-N</InChIKey><canonical_smiles>[O-][O+]=O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>ozone</IUPAC_name></identification><comment>Gurvich,1989 pt1 p101 pt2 p15.</comment><reference>g 8/01</reference><elements><element O="3" /></elements><condensed>False</condensed><molecular_weight>0.0479982</molecular_weight><hf298.15>141800.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.282314507e+04</a1><a2>5.898216640e+02</a2><a3>-2.547496763e+00</a3><a4>2.690121526e-02</a4><a5>-3.528258340e-05</a5><a6>2.312290922e-08</a6><a7>-6.044893270e-12</a7><b1>1.348368701e+04</b1><b2>3.852218580e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-3.869662480e+07</a1><a2>1.023344994e+05</a2><a3>-8.961551600e+01</a3><a4>3.706144970e-02</a4><a5>-4.137638740e-06</a5><a6>-2.725018591e-10</a6><a7>5.248188110e-14</a7><b1>-6.517918180e+05</b1><b2>7.029109520e+02</b2></T_range></specie><specie inp_file_name="P"><identification><InChIKey>FZTWZIMSKAGPSB-UHFFFAOYSA-N</InChIKey><canonical_smiles>[P-3]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>phosphorus(3-)</IUPAC_name></identification><comment>Hf:Cox,1989. Martin,W.C.,1985. Gordon,1999.</comment><reference>g 5/97</reference><elements><element P="1" /></elements><condensed>False</condensed><molecular_weight>0.030973761</molecular_weight><hf298.15>316500.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>5.040866570e+01</a1><a2>-7.639418650e-01</a2><a3>2.504563992e+00</a3><a4>-1.381689958e-05</a4><a5>2.245585515e-08</a5><a6>-1.866399889e-11</a6><a7>6.227063395e-15</a7><b1>3.732421910e+04</b1><b2>5.359303481e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.261794642e+06</a1><a2>-4.559838190e+03</a2><a3>8.918079310e+00</a3><a4>-4.381401460e-03</a4><a5>1.454286224e-06</a5><a6>-2.030782763e-10</a6><a7>1.021022887e-14</a7><b1>6.541723960e+04</b1><b2>-3.915974795e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>-2.215392545e+07</a1><a2>-4.566911180e+04</a2><a3>2.837245428e+01</a3><a4>-4.483244040e-03</a4><a5>3.579413080e-07</a5><a6>-1.255311557e-11</a6><a7>1.590290483e-16</a7><b1>3.370905760e+05</b1><b2>-2.056960928e+02</b2></T_range></specie><specie inp_file_name="P+"><identification><InChIKey>FZTWZIMSKAGPSB-UHFFFAOYSA-N</InChIKey><canonical_smiles>[P-3]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>phosphorus(3-)</IUPAC_name></identification><comment>Martin,W.C.,1985. Gordon,1999.</comment><reference>g 4/97</reference><elements><element P="1" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.030973212400000002</molecular_weight><hf298.15>1336453.460</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>-7.316908110e+04</a1><a2>9.627979140e+02</a2><a3>-3.693938050e-01</a3><a4>4.766778340e-03</a4><a5>-4.574768580e-06</a5><a6>2.371262331e-09</a6><a7>-5.131314900e-13</a7><b1>1.549406849e+05</b1><b2>2.376640762e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-5.594249360e+05</a1><a2>1.722576545e+03</a2><a3>8.430381090e-01</a3><a4>6.287368940e-04</a4><a5>-6.317195460e-08</a5><a6>-1.810842484e-12</a6><a7>4.318112570e-16</a7><b1>1.490493431e+05</b1><b2>1.845275207e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>1.362531054e+07</a1><a2>-8.717502380e+03</a2><a3>4.747426280e+00</a3><a4>-1.620871933e-04</a4><a5>-3.935548100e-10</a5><a6>4.845613020e-13</a6><a7>-7.448402970e-18</a7><b1>2.284649718e+05</b1><b2>-1.346454894e+01</b2></T_range></specie><specie inp_file_name="P-"><identification><InChIKey>FZTWZIMSKAGPSB-UHFFFAOYSA-N</InChIKey><canonical_smiles>[P-3]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>phosphorus(3-)</IUPAC_name></identification><comment>Hotop,1985. Gordon,1999.</comment><reference>g 4/97</reference><elements><element P="1" /><element E="1" /></elements><condensed>False</condensed><molecular_weight>0.030974309600000003</molecular_weight><hf298.15>238826.765</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>-1.008949093e+04</a1><a2>1.826468403e+02</a2><a3>1.962456304e+00</a3><a4>9.197377540e-04</a4><a5>-9.214998630e-07</a5><a6>5.012872360e-10</a6><a7>-1.142677121e-13</a7><b1>2.703082432e+04</b1><b2>9.478137822e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.543488016e+04</a1><a2>9.495009340e+00</a2><a3>2.493170861e+00</a3><a4>2.700167711e-06</a4><a5>-5.949210390e-10</a5><a6>6.823766290e-14</a6><a7>-3.166959910e-18</a7><b1>2.797572693e+04</b1><b2>6.246793872e+00</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>1.724147889e+03</a1><a2>1.074832503e+01</a2><a3>2.497654940e+00</a3><a4>2.655333078e-07</a4><a5>-1.642839012e-11</a5><a6>5.268015350e-16</a6><a7>-6.849362660e-21</a7><b1>2.795482976e+04</b1><b2>6.215849262e+00</b2></T_range></specie><specie inp_file_name="PCl"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1989 pt1 p431 pt2 p282.</comment><reference>tpis89</reference><elements><element P="1" /><element Cl="1" /></elements><condensed>False</condensed><molecular_weight>0.066426761</molecular_weight><hf298.15>134615.112</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>3.488861700e+04</a1><a2>-5.603119340e+02</a2><a3>6.264568480e+00</a3><a4>-3.183364370e-03</a4><a5>3.495326840e-06</a5><a6>-2.091034291e-09</a6><a7>5.418758600e-13</a7><b1>1.774653764e+04</b1><b2>-8.074572148e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-3.471681510e+05</a1><a2>9.935557930e+02</a2><a3>3.399430270e+00</a3><a4>4.019711700e-04</a4><a5>8.295588390e-08</a5><a6>-3.090212484e-11</a6><a7>2.106384858e-15</a7><b1>8.433591150e+03</b1><b2>1.064902238e+01</b2></T_range></specie><specie inp_file_name="PCl2"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1989 pt1 p432 pt2 p283.</comment><reference>tpis89</reference><elements><element P="1" /><element Cl="2" /></elements><condensed>False</condensed><molecular_weight>0.101879761</molecular_weight><hf298.15>-54292.353</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>5.190084500e+04</a1><a2>-1.060904200e+03</a2><a3>1.058549940e+01</a3><a4>-6.879917530e-03</a4><a5>7.620773180e-06</a5><a6>-4.530115470e-09</a6><a7>1.116671660e-12</a7><b1>-3.220331180e+03</b1><b2>-2.753518359e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-8.349833970e+04</a1><a2>-2.625249470e+01</a2><a3>7.020361810e+00</a3><a4>-8.388768680e-06</a4><a5>1.896784740e-09</a5><a6>-2.214879920e-13</a6><a7>1.041653550e-17</a7><b1>-8.742993680e+03</b1><b2>-6.234023190e+00</b2></T_range></specie><specie inp_file_name="PCl2-"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1989 pt1 p433 pt2 p284.</comment><reference>tpis89</reference><elements><element P="1" /><element Cl="2" /><element E="1" /></elements><condensed>False</condensed><molecular_weight>0.10188030960000001</molecular_weight><hf298.15>-356285.253</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>4.934832770e+04</a1><a2>-9.601590540e+02</a2><a3>9.884769700e+00</a3><a4>-4.950202950e-03</a4><a5>4.946217870e-06</a5><a6>-2.678675201e-09</a6><a7>6.076723610e-13</a7><b1>-3.998072400e+04</b1><b2>-2.413131695e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-8.564986760e+04</a1><a2>-3.185555940e+01</a2><a3>7.024494960e+00</a3><a4>-1.002251172e-05</a4><a5>2.253747944e-09</a5><a6>-2.619657192e-13</a6><a7>1.227059658e-17</a7><b1>-4.503811430e+04</b1><b2>-6.721522361e+00</b2></T_range></specie><specie inp_file_name="PCl3"><identification><InChIKey>FAIAAWCVCHQXDN-UHFFFAOYSA-N</InChIKey><canonical_smiles>P(Cl)(Cl)Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>trichlorophosphane</IUPAC_name></identification><comment>Gurvich,1989 pt1 p433 pt2 p285.</comment><reference>tpis89</reference><elements><element P="1" /><element Cl="3" /></elements><condensed>False</condensed><molecular_weight>0.137332761</molecular_weight><hf298.15>-289500.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>7.717745470e+04</a1><a2>-1.617650860e+03</a2><a3>1.536080470e+01</a3><a4>-1.011077050e-02</a4><a5>1.103408340e-05</a5><a6>-6.476121020e-09</a6><a7>1.579151140e-12</a7><b1>-2.955893640e+04</b1><b2>-5.244338688e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.333076930e+05</a1><a2>-4.145883210e+01</a2><a3>1.003186060e+01</a3><a4>-1.301946160e-05</a4><a5>2.922916890e-09</a5><a6>-3.391869240e-13</a6><a7>1.586425530e-17</a7><b1>-3.800336680e+04</b1><b2>-2.050737678e+01</b2></T_range></specie><specie inp_file_name="PCl5"><identification><InChIKey>UHZYTMXLRWXGPK-UHFFFAOYSA-N</InChIKey><canonical_smiles>P(Cl)(Cl)(Cl)(Cl)Cl</canonical_smiles><cas_number>10026-13-8</cas_number><IUPAC_name>pentachloro-$l^{5}-phosphane</IUPAC_name></identification><comment>Gurvich,1989 pt1 p435 pt2 p286.</comment><reference>tpis89</reference><elements><element P="1" /><element Cl="5" /></elements><condensed>False</condensed><molecular_weight>0.20823876100000002</molecular_weight><hf298.15>-376000.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.029070200e+05</a1><a2>-2.515707460e+03</a2><a3>2.430114970e+01</a3><a4>-1.564610690e-02</a4><a5>1.709873030e-05</a5><a6>-1.006011430e-08</a6><a7>2.460158790e-12</a7><b1>-3.722582370e+04</b1><b2>-9.816335170e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.255906890e+05</a1><a2>-6.938542820e+01</a2><a3>1.605359630e+01</a3><a4>-2.202156960e-05</a4><a5>4.971392290e-09</a5><a6>-5.799860050e-13</a6><a7>2.725970770e-17</a7><b1>-5.034234220e+04</b1><b2>-4.872454870e+01</b2></T_range></specie><specie inp_file_name="PF"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1989 pt1 p425 pt2 p276.</comment><reference>tpis89</reference><elements><element P="1" /><element F="1" /></elements><condensed>False</condensed><molecular_weight>0.0499721642</molecular_weight><hf298.15>-47944.793</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>2.227866728e+04</a1><a2>-1.727508706e+02</a2><a3>3.085366934e+00</a3><a4>5.489718230e-03</a4><a5>-8.247972540e-06</a5><a6>5.868882910e-09</a6><a7>-1.617252113e-12</a7><b1>-5.809279650e+03</b1><b2>7.709718850e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.132572282e+06</a1><a2>3.200038550e+03</a2><a3>7.780502370e-01</a3><a4>1.969518902e-03</a4><a5>-4.365818970e-07</a5><a6>5.243648570e-11</a6><a7>-2.618755712e-15</a7><b1>-2.766773009e+04</b1><b2>2.759312302e+01</b2></T_range></specie><specie inp_file_name="PF+"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Chase,1998 p1086.</comment><reference>j 6/77</reference><elements><element P="1" /><element F="1" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.0499716156</molecular_weight><hf298.15>901518.000</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>-1.779138157e+04</a1><a2>3.909991270e+02</a2><a3>1.257434156e+00</a3><a4>7.861363750e-03</a4><a5>-9.342312680e-06</a5><a6>5.630915650e-09</a6><a7>-1.370669924e-12</a7><b1>1.054873882e+05</b1><b2>1.901676576e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-4.011525180e+04</a1><a2>-1.597504413e+02</a2><a3>4.621397480e+00</a3><a4>-2.378072183e-05</a4><a5>1.431831329e-08</a5><a6>-2.300109157e-12</a6><a7>1.694069882e-16</a7><b1>1.078633756e+05</b1><b2>-4.072343950e-02</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>-2.628686921e+07</a1><a2>1.300876535e+04</a2><a3>2.564713658e+00</a3><a4>3.269650350e-05</a4><a5>1.867188317e-08</a5><a6>-9.293307220e-13</a6><a7>1.456723674e-17</a7><b1>-2.640503508e+02</b1><b2>1.921588661e+01</b2></T_range></specie><specie inp_file_name="PF-"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Chase,1998 p1087.</comment><reference>j 6/77</reference><elements><element P="1" /><element F="1" /><element E="1" /></elements><condensed>False</condensed><molecular_weight>0.0499727128</molecular_weight><hf298.15>-164046.000</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>7.705210950e+03</a1><a2>-1.152432706e+02</a2><a3>4.254952310e+00</a3><a4>1.163521526e-03</a4><a5>-1.627947259e-06</a5><a6>1.084382815e-09</a6><a7>-2.809490132e-13</a7><b1>-2.035558966e+04</b1><b2>2.217923793e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.303793388e+05</a1><a2>2.715526386e+02</a2><a3>4.137619810e+00</a3><a4>2.728610614e-04</a4><a5>-7.644416250e-08</a5><a6>1.182073001e-11</a6><a7>-6.083906640e-16</a7><b1>-2.290799827e+04</b1><b2>3.748526100e+00</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>-2.589702487e+07</a1><a2>2.274827883e+04</a2><a3>-2.913204829e+00</a3><a4>1.134351740e-03</a4><a5>-7.184766090e-08</a5><a6>2.254067861e-12</a6><a7>-2.781608692e-17</a7><b1>-1.940751937e+05</b1><b2>6.372454240e+01</b2></T_range></specie><specie inp_file_name="PFCl"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1989 pt1 p437 pt2 p288.</comment><reference>tpis89</reference><elements><element P="1" /><element F="1" /><element Cl="1" /></elements><condensed>False</condensed><molecular_weight>0.0854251642</molecular_weight><hf298.15>-283184.119</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>5.490188530e+04</a1><a2>-8.658679480e+02</a2><a3>7.944467650e+00</a3><a4>9.503779100e-04</a4><a5>-3.339090210e-06</a5><a6>3.023977817e-09</a6><a7>-9.450377540e-13</a7><b1>-3.132843217e+04</b1><b2>-1.440426886e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.282143211e+05</a1><a2>-9.739043550e+01</a2><a3>7.072661660e+00</a3><a4>-2.903614134e-05</a4><a5>6.408504490e-09</a5><a6>-7.338993770e-13</a6><a7>3.396723170e-17</a7><b1>-3.600649260e+04</b1><b2>-7.626493035e+00</b2></T_range></specie><specie inp_file_name="PFCl-"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1989 pt1 p438 pt2 p289.</comment><reference>tpis89</reference><elements><element P="1" /><element F="1" /><element Cl="1" /><element E="1" /></elements><condensed>False</condensed><molecular_weight>0.0854257128</molecular_weight><hf298.15>-529269.107</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>8.934336850e+04</a1><a2>-1.266972513e+03</a2><a3>9.912194530e+00</a3><a4>-3.877928300e-03</a4><a5>3.036692411e-06</a5><a6>-1.296559380e-09</a6><a7>2.324226580e-13</a7><b1>-5.894505710e+04</b1><b2>-2.617050460e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.231565150e+05</a1><a2>-9.765861110e+01</a2><a3>7.074029570e+00</a3><a4>-2.997070692e-05</a4><a5>6.685280620e-09</a5><a6>-7.722262200e-13</a6><a7>3.599382300e-17</a7><b1>-6.558817220e+04</b1><b2>-8.208878059e+00</b2></T_range></specie><specie inp_file_name="PFCl2"><identification><InChIKey>HEHHDHIDWXZMFB-UHFFFAOYSA-N</InChIKey><canonical_smiles>FP(Cl)Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dichloro(fluoro)phosphane</IUPAC_name></identification><comment>Gurvich,1989 pt1 p440 pt2 p292.</comment><reference>tpis89</reference><elements><element P="1" /><element F="1" /><element Cl="2" /></elements><condensed>False</condensed><molecular_weight>0.1208781642</molecular_weight><hf298.15>-511925.340</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>8.266560560e+04</a1><a2>-1.512138928e+03</a2><a3>1.303404207e+01</a3><a4>-2.903247162e-03</a4><a5>7.836652970e-07</a5><a6>6.458340660e-10</a6><a7>-3.737641820e-13</a7><b1>-5.644237870e+04</b1><b2>-4.100905668e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.864589813e+05</a1><a2>-1.148004379e+02</a2><a3>1.008599754e+01</a3><a4>-3.447456520e-05</a4><a5>7.627972010e-09</a5><a6>-8.753097430e-13</a6><a7>4.057788350e-17</a7><b1>-6.450472190e+04</b1><b2>-2.174054563e+01</b2></T_range></specie><specie inp_file_name="PFCl4"><identification><InChIKey>XZTAZFYWRDQNAV-UHFFFAOYSA-N</InChIKey><canonical_smiles>FP(Cl)(Cl)(Cl)Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>tetrachloro(fluoro)-$l^{5}-phosphane</IUPAC_name></identification><comment>Gurvich,1989 pt1 p442 pt2 p295.</comment><reference>tpis89</reference><elements><element P="1" /><element F="1" /><element Cl="4" /></elements><condensed>False</condensed><molecular_weight>0.1917841642</molecular_weight><hf298.15>-635016.440</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.412071573e+05</a1><a2>-2.882471080e+03</a2><a3>2.387345233e+01</a3><a4>-1.239510207e-02</a4><a5>1.141290085e-05</a5><a6>-5.705483820e-09</a6><a7>1.195229703e-12</a7><b1>-6.613478650e+04</b1><b2>-9.859693550e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.954375880e+05</a1><a2>-1.325154294e+02</a2><a3>1.610005380e+01</a3><a4>-4.035359170e-05</a4><a5>8.971130740e-09</a5><a6>-1.033288810e-12</a6><a7>4.804468350e-17</a7><b1>-8.135719400e+04</b1><b2>-5.062403920e+01</b2></T_range></specie><specie inp_file_name="PF2"><identification><InChIKey>YPYRVOOFGWWFBN-UHFFFAOYSA-N</InChIKey><canonical_smiles>F[P-]F</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>difluorophosphanide</IUPAC_name></identification><comment>Gurvich,1989 pt1 p426 pt2 p277.</comment><reference>tpis89</reference><elements><element P="1" /><element F="2" /></elements><condensed>False</condensed><molecular_weight>0.06897056739999999</molecular_weight><hf298.15>-513103.659</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>5.524765720e+04</a1><a2>-6.280517800e+02</a2><a3>5.137437920e+00</a3><a4>9.120673350e-03</a4><a5>-1.468773760e-05</a5><a6>1.081268450e-08</a6><a7>-3.064944490e-12</a7><b1>-5.977541470e+04</b1><b2>-1.689589472e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.708467120e+05</a1><a2>-1.692051540e+02</a2><a3>7.125491600e+00</a3><a4>-4.990852850e-05</a4><a5>1.097335230e-08</a5><a6>-1.252870260e-12</a6><a7>5.784791140e-17</a7><b1>-6.338295840e+04</b1><b2>-1.041715673e+01</b2></T_range></specie><specie inp_file_name="PF2-"><identification><InChIKey>YPYRVOOFGWWFBN-UHFFFAOYSA-N</InChIKey><canonical_smiles>F[P-]F</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>difluorophosphanide</IUPAC_name></identification><comment>Gurvich,1989 pt1 p426 pt2 p278.</comment><reference>tpis89</reference><elements><element P="1" /><element F="2" /><element E="1" /></elements><condensed>False</condensed><molecular_weight>0.068971116</molecular_weight><hf298.15>-709337.947</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>1.404793057e+05</a1><a2>-1.699945753e+03</a2><a3>1.036823971e+01</a3><a4>-3.599587690e-03</a4><a5>1.961925800e-06</a5><a6>-3.829329870e-10</a6><a7>-3.375549520e-14</a7><b1>-7.810434510e+04</b1><b2>-3.217375182e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.653976056e+05</a1><a2>-1.640604822e+02</a2><a3>7.124091520e+00</a3><a4>-5.015431400e-05</a4><a5>1.117302152e-08</a5><a6>-1.289308601e-12</a6><a7>6.004706670e-17</a7><b1>-8.700223320e+04</b1><b2>-1.109074866e+01</b2></T_range></specie><specie inp_file_name="PF2Cl"><identification><InChIKey>AENDXYYGTYFGOX-UHFFFAOYSA-N</InChIKey><canonical_smiles>FP(F)Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>chloro(difluoro)phosphane</IUPAC_name></identification><comment>Gurvich,1989 pt1 p439 pt2 p290.</comment><reference>tpis89</reference><elements><element P="1" /><element F="2" /><element Cl="1" /></elements><condensed>False</condensed><molecular_weight>0.1044235674</molecular_weight><hf298.15>-735076.682</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>8.397590160e+04</a1><a2>-1.318075883e+03</a2><a3>1.017203515e+01</a3><a4>5.571231220e-03</a4><a5>-1.100920478e-05</a5><a6>8.726383180e-09</a6><a7>-2.567714099e-12</a7><b1>-8.381656170e+04</b1><b2>-2.766012951e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.409281185e+05</a1><a2>-2.033484670e+02</a2><a3>1.015150769e+01</a3><a4>-6.048367310e-05</a4><a5>1.333942001e-08</a5><a6>-1.526772528e-12</a6><a7>7.063339180e-17</a7><b1>-9.101110590e+04</b1><b2>-2.417825549e+01</b2></T_range></specie><specie inp_file_name="PF2Cl3"><identification><InChIKey>MTFNUCIFLCOJRC-UHFFFAOYSA-N</InChIKey><canonical_smiles>FP(F)(Cl)(Cl)Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>trichloro(difluoro)-$l^{5}-phosphane</IUPAC_name></identification><comment>Gurvich,1989 pt1 p442 pt2 p294.</comment><reference>tpis89</reference><elements><element P="1" /><element F="2" /><element Cl="3" /></elements><condensed>False</condensed><molecular_weight>0.1753295674</molecular_weight><hf298.15>-878744.962</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.842099543e+05</a1><a2>-3.334402390e+03</a2><a3>2.388510873e+01</a3><a4>-1.030943175e-02</a4><a5>7.356504220e-06</a5><a6>-2.498621785e-09</a6><a7>2.513997646e-13</a7><b1>-9.279549890e+04</b1><b2>-1.027991502e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-3.655272540e+05</a1><a2>-2.029694160e+02</a2><a3>1.615238015e+01</a3><a4>-6.118796570e-05</a4><a5>1.355610375e-08</a5><a6>-1.557129640e-12</a6><a7>7.224359970e-17</a7><b1>-1.104941533e+05</b1><b2>-5.387308191e+01</b2></T_range></specie><specie inp_file_name="PF3"><identification><InChIKey>WKFBZNUBXWCCHG-UHFFFAOYSA-N</InChIKey><canonical_smiles>FP(F)F</canonical_smiles><cas_number>7783-55-3</cas_number><IUPAC_name>trifluorophosphane</IUPAC_name></identification><comment>Gurvich,1989 pt1 p427 pt2 p279.</comment><reference>tpis89</reference><elements><element P="1" /><element F="3" /></elements><condensed>False</condensed><molecular_weight>0.0879689706</molecular_weight><hf298.15>-957400.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>8.480984480e+04</a1><a2>-1.102340691e+03</a2><a3>7.160715110e+00</a3><a4>1.438278338e-02</a4><a5>-2.318137222e-05</a5><a6>1.702244315e-08</a6><a7>-4.810991950e-12</a7><b1>-1.111837495e+05</b1><b2>-1.457652362e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.957040675e+05</a1><a2>-2.997689931e+02</a2><a3>1.022297023e+01</a3><a4>-8.890263450e-05</a4><a5>1.958901359e-08</a5><a6>-2.240491075e-12</a6><a7>1.035952523e-16</a7><b1>-1.173743464e+05</b1><b2>-2.777419177e+01</b2></T_range></specie><specie inp_file_name="PF3Cl2"><identification><InChIKey>PYMHWNZNAIBFHU-UHFFFAOYSA-N</InChIKey><canonical_smiles>FP(F)(F)(Cl)Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dichloro(trifluoro)-$l^{5}-phosphane</IUPAC_name></identification><comment>Gurvich,1989 pt1 p441 pt2 p293.</comment><reference>tpis89</reference><elements><element P="1" /><element F="3" /><element Cl="2" /></elements><condensed>False</condensed><molecular_weight>0.1588749706</molecular_weight><hf298.15>-1122022.916</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.822497206e+05</a1><a2>-3.089610245e+03</a2><a3>2.067710388e+01</a3><a4>-1.168732391e-03</a4><a5>-5.020540740e-06</a5><a6>5.804573350e-09</a6><a7>-1.965367906e-12</a7><b1>-1.228120667e+05</b1><b2>-8.627977355e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-4.223838050e+05</a1><a2>-3.207965220e+02</a2><a3>1.624013000e+01</a3><a4>-9.623655310e-05</a4><a5>2.129279712e-08</a5><a6>-2.443515401e-12</a6><a7>1.132904350e-16</a7><b1>-1.392642151e+05</b1><b2>-5.531285745e+01</b2></T_range></specie><specie inp_file_name="PF4Cl"><identification><InChIKey>HFRXFRBDWDLMMR-UHFFFAOYSA-N</InChIKey><canonical_smiles>FP(F)(F)(F)Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>chloro(tetrafluoro)-$l^{5}-phosphane</IUPAC_name></identification><comment>Gurvich,1989 pt1 p439 pt2 p291.</comment><reference>tpis89</reference><elements><element P="1" /><element F="4" /><element Cl="1" /></elements><condensed>False</condensed><molecular_weight>0.1424203738</molecular_weight><hf298.15>-1364909.395</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.804240323e+05</a1><a2>-2.741096618e+03</a2><a3>1.680192838e+01</a3><a4>9.919315250e-03</a4><a5>-2.025636171e-05</a5><a6>1.617979147e-08</a6><a7>-4.772611520e-12</a7><b1>-1.532382587e+05</b1><b2>-6.679119965e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-4.781140040e+05</a1><a2>-4.264812830e+02</a2><a3>1.631812121e+01</a3><a4>-1.271374903e-04</a4><a5>2.806715254e-08</a5><a6>-3.215166300e-12</a6><a7>1.488512118e-16</a7><b1>-1.680488362e+05</b1><b2>-5.735844805e+01</b2></T_range></specie><specie inp_file_name="PF5"><identification><InChIKey>OBCUTHMOOONNBS-UHFFFAOYSA-N</InChIKey><canonical_smiles>FP(F)(F)(F)F</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>pentafluoro-$l^{5}-phosphane</IUPAC_name></identification><comment>Gurvich,1989 pt1 p429 pt2 p280.</comment><reference>tpis89</reference><elements><element P="1" /><element F="5" /></elements><condensed>False</condensed><molecular_weight>0.125965777</molecular_weight><hf298.15>-1593300.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.855778473e+05</a1><a2>-2.436979828e+03</a2><a3>1.201012406e+01</a3><a4>2.339343049e-02</a4><a5>-3.813944410e-05</a5><a6>2.796136412e-08</a6><a7>-7.870704880e-12</a7><b1>-1.814566568e+05</b1><b2>-4.486488740e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-5.668727840e+05</a1><a2>-6.677917910e+02</a2><a3>1.649789569e+01</a3><a4>-1.990099440e-04</a4><a5>4.395007100e-08</a5><a6>-5.036849540e-12</a6><a7>2.332945909e-16</a7><b1>-1.944321623e+05</b1><b2>-6.261721040e+01</b2></T_range></specie><specie inp_file_name="PH"><identification><InChIKey>RHFMFSYJCQZKIT-UHFFFAOYSA-N</InChIKey><canonical_smiles>[PH-2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>phosphorus(2-) monohydride</IUPAC_name></identification><comment>Gurvich,1989 pt1 p420 pt2 p272.</comment><reference>tpis89</reference><elements><element P="1" /><element H="1" /></elements><condensed>False</condensed><molecular_weight>0.031981701</molecular_weight><hf298.15>230752.104</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>2.273633198e+04</a1><a2>-3.972674060e+02</a2><a3>6.233697660e+00</a3><a4>-9.181784600e-03</a4><a5>1.523328123e-05</a5><a6>-1.085888585e-08</a6><a7>2.929760547e-12</a7><b1>2.852768404e+04</b1><b2>-1.095191197e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>7.814730650e+05</a1><a2>-3.038451204e+03</a2><a3>7.467481020e+00</a3><a4>-1.837522255e-03</a4><a5>7.165947700e-07</a5><a6>-1.142128853e-10</a6><a7>6.175410560e-15</a7><b1>4.536260180e+04</b1><b2>-2.467298140e+01</b2></T_range></specie><specie inp_file_name="PH2"><identification><InChIKey>JZWFHNVJSWEXLH-UHFFFAOYSA-N</InChIKey><canonical_smiles>[PH2-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>phosphanide</IUPAC_name></identification><comment>Gurvich,1989 pt1 p422 pt2 p273.</comment><reference>tpis89</reference><elements><element P="1" /><element H="2" /></elements><condensed>False</condensed><molecular_weight>0.032989641</molecular_weight><hf298.15>119553.470</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.555268372e+04</a1><a2>-1.841602025e+02</a2><a3>4.895896040e+00</a3><a4>-3.495436600e-03</a4><a5>1.053418945e-05</a5><a6>-8.377562920e-09</a6><a7>2.270766150e-12</a7><b1>1.409839468e+04</b1><b2>-2.210564792e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.127884913e+06</a1><a2>-4.715238250e+03</a2><a3>1.021498300e+01</a3><a4>-1.167573820e-03</a4><a5>2.150542671e-07</a5><a6>-1.624213739e-11</a6><a7>3.766225240e-16</a7><b1>4.183074630e+04</b1><b2>-4.231623250e+01</b2></T_range></specie><specie inp_file_name="PH2-"><identification><InChIKey>JZWFHNVJSWEXLH-UHFFFAOYSA-N</InChIKey><canonical_smiles>[PH2-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>phosphanide</IUPAC_name></identification><comment>Gurvich,1989 pt1 p423 pt2 p274.</comment><reference>tpis89</reference><elements><element P="1" /><element H="2" /><element E="1" /></elements><condensed>False</condensed><molecular_weight>0.032990189600000004</molecular_weight><hf298.15>-9265.418</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>6.950684490e+04</a1><a2>-7.719162910e+02</a2><a3>7.383537620e+00</a3><a4>-8.522947210e-03</a4><a5>1.474476507e-05</a5><a6>-9.847160810e-09</a6><a7>2.413107871e-12</a7><b1>1.582295850e+03</b1><b2>-1.761306419e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.382525815e+06</a1><a2>-5.213400670e+03</a2><a3>1.021694832e+01</a3><a4>-1.116316349e-03</a4><a5>2.215004171e-07</a5><a6>-2.338005187e-11</a6><a7>1.015580932e-15</a7><b1>2.990683733e+04</b1><b2>-4.378711585e+01</b2></T_range></specie><specie inp_file_name="PH3"><identification><InChIKey>XYFCBTPGUUZFHI-UHFFFAOYSA-N</InChIKey><canonical_smiles>P</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>phosphane</IUPAC_name></identification><comment>Chase,1998 p1348.</comment><reference>j 6/62</reference><elements><element P="1" /><element H="3" /></elements><condensed>False</condensed><molecular_weight>0.033997581</molecular_weight><hf298.15>5439.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-6.384325340e+03</a1><a2>4.057567410e+02</a2><a3>-1.565680086e-01</a3><a4>1.338380613e-02</a4><a5>-8.275391430e-06</a5><a6>3.024360831e-09</a6><a7>-6.421764630e-13</a7><b1>-2.159842124e+03</b1><b2>2.385561888e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.334801106e+06</a1><a2>-6.725463520e+03</a2><a3>1.445857073e+01</a3><a4>-1.639736883e-03</a4><a5>3.409218570e-07</a5><a6>-3.736272080e-11</a6><a7>1.672947506e-15</a7><b1>3.910325710e+04</b1><b2>-7.198781190e+01</b2></T_range></specie><specie inp_file_name="PN"><identification><InChIKey>AOPJVJYWEDDOBI-UHFFFAOYSA-N</InChIKey><canonical_smiles>N#P</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>azanylidynephosphane</IUPAC_name></identification><comment>Gurvich,1989 pt1 p446 pt2 p299.</comment><reference>tpis89</reference><elements><element P="1" /><element N="1" /></elements><condensed>False</condensed><molecular_weight>0.044980461</molecular_weight><hf298.15>171487.305</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-5.103203840e+04</a1><a2>8.202926680e+02</a2><a3>-1.392772765e+00</a3><a4>1.287989789e-02</a4><a5>-1.401425371e-05</a5><a6>7.775633460e-09</a6><a7>-1.751539330e-12</a7><b1>1.573226520e+04</b1><b2>3.251070633e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.495625593e+05</a1><a2>1.760438830e+02</a2><a3>4.144121960e+00</a3><a4>2.478018097e-04</a4><a5>-5.674896300e-08</a5><a6>4.263645120e-12</a6><a7>3.063920924e-16</a7><b1>1.770317267e+04</b1><b2>1.325517397e+00</b2></T_range></specie><specie inp_file_name="PO"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1989 pt1 p404 pt2 p258.</comment><reference>tpis89</reference><elements><element P="1" /><element O="1" /></elements><condensed>False</condensed><molecular_weight>0.046973161</molecular_weight><hf298.15>-27857.687</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-6.845754060e+04</a1><a2>1.141295708e+03</a2><a3>-2.779556060e+00</a3><a4>1.678458047e-02</a4><a5>-1.974879516e-05</a5><a6>1.192602320e-08</a6><a7>-2.927460912e-12</a7><b1>-9.847745040e+03</b1><b2>4.184328297e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-3.366667440e+05</a1><a2>6.229355840e+02</a2><a3>3.565605460e+00</a3><a4>6.516620720e-04</a4><a5>-2.061770841e-07</a5><a6>3.184413230e-11</a6><a7>-1.573691908e-15</a7><b1>-8.939790390e+03</b1><b2>6.954859188e+00</b2></T_range></specie><specie inp_file_name="PO-"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1989 pt1 p407 pt2 p259.</comment><reference>tpis89</reference><elements><element P="1" /><element O="1" /><element E="1" /></elements><condensed>False</condensed><molecular_weight>0.046973709599999997</molecular_weight><hf298.15>-140067.094</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>5.434346320e+04</a1><a2>-4.123623550e+02</a2><a3>3.746483880e+00</a3><a4>3.858636470e-03</a4><a5>-5.963343040e-06</a5><a6>4.278286360e-09</a6><a7>-1.139722989e-12</a7><b1>-1.555810937e+04</b1><b2>3.404436468e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-8.480294780e+02</a1><a2>3.470544870e+02</a2><a3>2.877890167e+00</a3><a4>1.622182445e-03</a4><a5>-4.870190990e-07</a5><a6>6.645752270e-11</a6><a7>-3.395703760e-15</a7><b1>-1.987209540e+04</b1><b2>1.075444355e+01</b2></T_range></specie><specie inp_file_name="POCl3"><identification><InChIKey>XHXFXVLFKHQFAL-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=P(Cl)(Cl)Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1989 pt1 p436 pt2 p287.</comment><reference>tpis89</reference><elements><element P="1" /><element O="1" /><element Cl="3" /></elements><condensed>False</condensed><molecular_weight>0.15333216100000002</molecular_weight><hf298.15>-568400.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>4.793788160e+04</a1><a2>-1.270388280e+03</a2><a3>1.367716460e+01</a3><a4>1.082672100e-03</a4><a5>-1.736104060e-06</a5><a6>8.460890640e-10</a6><a7>-1.174661330e-13</a7><b1>-6.507571880e+04</b1><b2>-4.314705941e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.185937970e+05</a1><a2>-5.080269680e+02</a2><a3>1.337784650e+01</a3><a4>-1.510731050e-04</a4><a5>3.340986780e-08</a5><a6>-3.835329760e-12</a6><a7>1.779329880e-16</a7><b1>-7.009315090e+04</b1><b2>-3.984746301e+01</b2></T_range></specie><specie inp_file_name="POFCl2"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1989 pt1 p444 pt2 p297.</comment><reference>tpis89</reference><elements><element P="1" /><element O="1" /><element F="1" /><element Cl="2" /></elements><condensed>False</condensed><molecular_weight>0.1368775642</molecular_weight><hf298.15>-793889.312</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>4.694061560e+04</a1><a2>-1.069242600e+03</a2><a3>1.071284279e+01</a3><a4>9.491183300e-03</a4><a5>-1.306412424e-05</a5><a6>8.426906020e-09</a6><a7>-2.140294969e-12</a7><b1>-9.274894990e+04</b1><b2>-2.815077719e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.707647503e+05</a1><a2>-6.556502270e+02</a2><a3>1.348668421e+01</a3><a4>-1.942765035e-04</a4><a5>4.291184490e-08</a5><a6>-4.921844800e-12</a6><a7>2.282079808e-16</a7><b1>-9.654392140e+04</b1><b2>-4.164963494e+01</b2></T_range></specie><specie inp_file_name="POF2Cl"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1989 pt1 p443 pt2 p296.</comment><reference>tpis89</reference><elements><element P="1" /><element O="1" /><element F="2" /><element Cl="1" /></elements><condensed>False</condensed><molecular_weight>0.12042296740000001</molecular_weight><hf298.15>-1022607.040</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>5.226438160e+04</a1><a2>-9.691037700e+02</a2><a3>7.963635980e+00</a3><a4>1.755599796e-02</a4><a5>-2.398693997e-05</a5><a6>1.572376747e-08</a6><a7>-4.079746000e-12</a7><b1>-1.202656893e+05</b1><b2>-1.593967075e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-3.347086590e+05</a1><a2>-8.176104810e+02</a2><a3>1.360664320e+01</a3><a4>-2.420426112e-04</a4><a5>5.343712720e-08</a5><a6>-6.126461350e-12</a6><a7>2.839570116e-16</a7><b1>-1.233401194e+05</b1><b2>-4.496103437e+01</b2></T_range></specie><specie inp_file_name="POF3"><identification><InChIKey>FFUQCRZBKUBHQT-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=P(F)(F)F</canonical_smiles><cas_number>13478-20-1</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1989 pt1 p430 pt2 p281.</comment><reference>tpis89</reference><elements><element P="1" /><element O="1" /><element F="3" /></elements><condensed>False</condensed><molecular_weight>0.1039683706</molecular_weight><hf298.15>-1252000.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>2.966030710e+04</a1><a2>-4.276705750e+02</a2><a3>3.669146100e+00</a3><a4>2.839493780e-02</a4><a5>-3.768318000e-05</a5><a6>2.449104540e-08</a6><a7>-6.341972870e-12</a7><b1>-1.501124530e+05</b1><b2>5.160417996e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-3.690602420e+05</a1><a2>-1.005552540e+03</a2><a3>1.374529940e+01</a3><a4>-2.971037110e-04</a4><a5>6.554526640e-08</a5><a6>-7.509987330e-12</a6><a7>3.478969910e-16</a7><b1>-1.499761730e+05</b1><b2>-4.882214181e+01</b2></T_range></specie><specie inp_file_name="PO2"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1989 pt1 p408 pt2 p260.</comment><reference>tpis89</reference><elements><element P="1" /><element O="2" /></elements><condensed>False</condensed><molecular_weight>0.062972561</molecular_weight><hf298.15>-281527.237</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-6.372698220e+04</a1><a2>1.036741044e+03</a2><a3>-2.877797967e+00</a3><a4>2.278134083e-02</a4><a5>-2.567920328e-05</a5><a6>1.465060412e-08</a6><a7>-3.387996700e-12</a7><b1>-3.993544720e+04</b1><b2>4.425309380e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>4.926210990e+05</a1><a2>-2.605465745e+03</a2><a3>9.517605610e+00</a3><a4>-1.180371565e-03</a4><a5>2.532912819e-07</a5><a6>-1.789964539e-11</a6><a7>1.800381054e-16</a7><b1>-2.028884763e+04</b1><b2>-2.969743125e+01</b2></T_range></specie><specie inp_file_name="PO2-"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1989 pt1 p409 pt2 p261.</comment><reference>tpis89</reference><elements><element P="1" /><element O="2" /><element E="1" /></elements><condensed>False</condensed><molecular_weight>0.06297310960000001</molecular_weight><hf298.15>-597623.751</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>2.702423135e+04</a1><a2>2.939956284e+01</a2><a3>1.162686114e+00</a3><a4>1.599897972e-02</a4><a5>-1.979229263e-05</a5><a6>1.208847527e-08</a6><a7>-2.956640480e-12</a7><b1>-7.285946270e+04</b1><b2>1.963118182e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.628679152e+06</a1><a2>-5.989199980e+03</a2><a3>1.369318836e+01</a3><a4>-3.623843790e-03</a4><a5>9.488198340e-07</a5><a6>-1.040308759e-10</a6><a7>4.019033660e-15</a7><b1>-3.685959500e+04</b1><b2>-5.956796220e+01</b2></T_range></specie><specie inp_file_name="PS"><identification><InChIKey>AWWBASURNVMANW-UHFFFAOYSA-N</InChIKey><canonical_smiles>[P-]=S</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>sulfanylidenephosphanide</IUPAC_name></identification><comment>Gurvich,1989 pt1 p444 pt2 p298.</comment><reference>tpis89</reference><elements><element P="1" /><element S="1" /></elements><condensed>False</condensed><molecular_weight>0.063038761</molecular_weight><hf298.15>150431.316</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-7.689786800e+02</a1><a2>-4.637824070e+01</a2><a3>4.104649170e+00</a3><a4>1.555262273e-03</a4><a5>-2.315757288e-06</a5><a6>1.661425178e-09</a6><a7>-4.631238400e-13</a7><b1>1.707875808e+04</b1><b2>4.230652171e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.702729081e+05</a1><a2>8.883548220e+02</a2><a3>3.169190120e+00</a3><a4>1.022480817e-03</a4><a5>-3.803740480e-07</a5><a6>7.019861880e-11</a6><a7>-4.269122310e-15</a7><b1>1.121510462e+04</b1><b2>1.147334049e+01</b2></T_range></specie><specie inp_file_name="P2"><identification><InChIKey>FOBPTJZYDGNHLR-UHFFFAOYSA-N</InChIKey><canonical_smiles>P#P</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>phosphanylidynephosphane</IUPAC_name></identification><comment>Gurvich,1989 pt1 p398 pt2 p255.</comment><reference>tpis89</reference><elements><element P="2" /></elements><condensed>False</condensed><molecular_weight>0.061947522</molecular_weight><hf298.15>144000.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>3.053922510e+04</a1><a2>-3.246177590e+02</a2><a3>4.022463810e+00</a3><a4>3.232094790e-03</a4><a5>-5.511052450e-06</a5><a6>4.195572930e-09</a6><a7>-1.215032180e-12</a7><b1>1.796910870e+04</b1><b2>1.645350331e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-7.806936490e+05</a1><a2>2.307910870e+03</a2><a3>1.411743130e+00</a3><a4>2.108237420e-03</a4><a5>-7.360856620e-07</a5><a6>1.259360120e-10</a6><a7>-7.079752490e-15</a7><b1>1.329824740e+03</b1><b2>2.169741365e+01</b2></T_range></specie><specie inp_file_name="P2O3"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1989 pt1 p410 pt2 p262.</comment><reference>tpis89</reference><elements><element P="2" /><element O="3" /></elements><condensed>False</condensed><molecular_weight>0.10994572200000001</molecular_weight><hf298.15>-684645.274</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-6.645753890e+04</a1><a2>7.580900550e+02</a2><a3>9.888436770e-01</a3><a4>2.859878730e-02</a4><a5>-3.231142110e-05</a5><a6>1.834525170e-08</a6><a7>-4.212489300e-12</a7><b1>-8.820036740e+04</b1><b2>2.689914458e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.175344110e+05</a1><a2>-1.369902000e+03</a2><a3>1.401142960e+01</a3><a4>-4.023856960e-04</a4><a5>8.868345780e-08</a5><a6>-1.015657280e-11</a6><a7>4.704356060e-16</a7><b1>-7.922757000e+04</b1><b2>-4.739487232e+01</b2></T_range></specie><specie inp_file_name="P2O4"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1989 pt1 p411 pt2 p263.</comment><reference>tpis89</reference><elements><element P="2" /><element O="4" /></elements><condensed>False</condensed><molecular_weight>0.125945122</molecular_weight><hf298.15>-933754.627</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-4.376091260e+04</a1><a2>4.905102830e+02</a2><a3>9.643649370e-01</a3><a4>3.886073580e-02</a4><a5>-4.675509220e-05</a5><a6>2.812625630e-08</a6><a7>-6.824406100e-12</a7><b1>-1.168997790e+05</b1><b2>2.379582767e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-3.670114860e+05</a1><a2>-1.638423730e+03</a2><a3>1.721188610e+01</a3><a4>-4.826580150e-04</a4><a5>1.064461900e-07</a5><a6>-1.219610070e-11</a6><a7>5.650654580e-16</a7><b1>-1.090435930e+05</b1><b2>-6.714276593e+01</b2></T_range></specie><specie inp_file_name="P2O5"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1989 pt1 p411 pt2 p264.</comment><reference>tpis89</reference><elements><element P="2" /><element O="5" /></elements><condensed>False</condensed><molecular_weight>0.14194452200000002</molecular_weight><hf298.15>-1124370.354</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-2.999159220e+04</a1><a2>-4.594506590e+01</a2><a3>6.987486830e+00</a3><a4>2.883302970e-02</a4><a5>-3.104509530e-05</a5><a6>1.643868680e-08</a6><a7>-3.467942300e-12</a7><b1>-1.381901400e+05</b1><b2>-3.400572711e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-3.247080160e+05</a1><a2>-2.016975080e+03</a2><a3>2.048699340e+01</a3><a4>-5.910641150e-04</a4><a5>1.301993020e-07</a5><a6>-1.490682940e-11</a6><a7>6.903573410e-16</a7><b1>-1.306290160e+05</b1><b2>-8.031642952e+01</b2></T_range></specie><specie inp_file_name="P3"><identification><InChIKey>IUPSCXDOKZWYRB-UHFFFAOYSA-N</InChIKey><canonical_smiles>P1=P[P]1</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>1,2,3$l^{2}-triphosphirene</IUPAC_name></identification><comment>Gurvich,1989 pt1 p402 pt2 p256.</comment><reference>tpis89</reference><elements><element P="3" /></elements><condensed>False</condensed><molecular_weight>0.09292128300000001</molecular_weight><hf298.15>210000.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>4.693358950e+04</a1><a2>-8.643589320e+02</a2><a3>8.734247530e+00</a3><a4>1.094534560e-05</a4><a5>-1.998573320e-06</a5><a6>2.096750510e-09</a6><a7>-6.922889710e-13</a7><b1>2.774847340e+04</b1><b2>-2.063587261e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.253513060e+05</a1><a2>-8.306734620e+01</a2><a3>7.561956770e+00</a3><a4>-2.474403950e-05</a4><a5>5.457276930e-09</a5><a6>-6.244660570e-13</a6><a7>2.887724220e-17</a7><b1>2.308722280e+04</b1><b2>-1.228310621e+01</b2></T_range></specie><specie inp_file_name="P3O6"><identification><InChIKey>FKYYXHQNJOFIHI-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[P+]1O[P+](=O)O[P+](=O)O1</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>1,3,5,2,4,6-trioxatriphosphinane-2,4,6-triium 2,4,6-trioxide</IUPAC_name></identification><comment>Gurvich,1989 pt1 p412 pt2 p265.</comment><reference>tpis89</reference><elements><element P="3" /><element O="6" /></elements><condensed>False</condensed><molecular_weight>0.188917683</molecular_weight><hf298.15>-1575681.029</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>2.014493813e+05</a1><a2>-3.053488073e+03</a2><a3>1.602114098e+01</a3><a4>4.316889900e-02</a4><a5>-6.376544260e-05</a5><a6>4.422867920e-08</a6><a7>-1.200020334e-11</a7><b1>-1.776503811e+05</b1><b2>-6.556267890e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-8.787968100e+05</a1><a2>-1.651988071e+03</a2><a3>2.772258397e+01</a3><a4>-4.859326700e-04</a4><a5>1.067867708e-07</a5><a6>-1.218015776e-11</a6><a7>5.614911960e-16</a7><b1>-1.909165548e+05</b1><b2>-1.220665277e+02</b2></T_range></specie><specie inp_file_name="P4"><identification><InChIKey>OBSZRRSYVTXPNB-UHFFFAOYSA-N</InChIKey><canonical_smiles>P12P3P1P23</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1989 pt1 p402 pt2 p257.</comment><reference>tpis89</reference><elements><element P="4" /></elements><condensed>False</condensed><molecular_weight>0.123895044</molecular_weight><hf298.15>58900.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.205141850e+05</a1><a2>-2.345711790e+03</a2><a3>1.773946550e+01</a3><a4>-1.456314970e-02</a4><a5>1.587594090e-05</a5><a6>-9.314710310e-09</a6><a7>2.271491670e-12</a7><b1>1.608846480e+04</b1><b2>-7.088590647e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.858705860e+05</a1><a2>-6.284546890e+01</a2><a3>1.004844880e+01</a3><a4>-1.987668850e-05</a4><a5>4.482408440e-09</a5><a6>-5.226103670e-13</a6><a7>2.455791290e-17</a7><b1>3.848210920e+03</b1><b2>-2.477297797e+01</b2></T_range></specie><specie inp_file_name="P4O6"><identification><InChIKey>VSAISIQCTGDGPU-UHFFFAOYSA-N</InChIKey><canonical_smiles>O1P2OP3OP1OP(O2)O3</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1989 pt1 p413 pt2 p266.</comment><reference>tpis89</reference><elements><element P="4" /><element O="6" /></elements><condensed>False</condensed><molecular_weight>0.21989144400000002</molecular_weight><hf298.15>-1606000.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>3.760894750e+05</a1><a2>-5.685832620e+03</a2><a3>2.914225450e+01</a3><a4>2.251532120e-02</a4><a5>-4.510269630e-05</a5><a6>3.588312690e-08</a6><a7>-1.057572060e-11</a7><b1>-1.688562480e+05</b1><b2>-1.451359851e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.008997240e+06</a1><a2>-8.872753990e+02</a2><a3>2.866064830e+01</a3><a4>-2.636018940e-04</a4><a5>5.810940720e-08</a5><a6>-6.648086960e-12</a6><a7>3.074391930e-16</a7><b1>-1.997138900e+05</b1><b2>-1.281853821e+02</b2></T_range></specie><specie inp_file_name="P4O7"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1989 pt1 p414 pt2 p267.</comment><reference>tpis89</reference><elements><element P="4" /><element O="7" /></elements><condensed>False</condensed><molecular_weight>0.235890844</molecular_weight><hf298.15>-1984448.045</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>3.218586960e+05</a1><a2>-4.871444730e+03</a2><a3>2.454417068e+01</a3><a4>4.015509550e-02</a4><a5>-6.524197150e-05</a5><a6>4.756554180e-08</a6><a7>-1.332975491e-11</a7><b1>-2.184517427e+05</b1><b2>-1.181504792e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.102947375e+06</a1><a2>-1.511077128e+03</a2><a3>3.210979500e+01</a3><a4>-4.371803760e-04</a4><a5>9.516639610e-08</a5><a6>-1.075204176e-11</a6><a7>4.911025680e-16</a7><b1>-2.429096540e+05</b1><b2>-1.473140859e+02</b2></T_range></specie><specie inp_file_name="P4O8"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1989 pt1 p415 pt2 p268.</comment><reference>tpis89</reference><elements><element P="4" /><element O="8" /></elements><condensed>False</condensed><molecular_weight>0.251890244</molecular_weight><hf298.15>-2302214.078</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>2.719326942e+05</a1><a2>-4.118600390e+03</a2><a3>2.028714235e+01</a3><a4>5.685416990e-02</a4><a5>-8.400739630e-05</a5><a6>5.823389060e-08</a6><a7>-1.578647160e-11</a7><b1>-2.604539703e+05</b1><b2>-9.407162070e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.173177311e+06</a1><a2>-2.200632995e+03</a2><a3>3.563010130e+01</a3><a4>-6.489849740e-04</a4><a5>1.429623989e-07</a5><a6>-1.635821725e-11</a6><a7>7.571070760e-16</a7><b1>-2.783843144e+05</b1><b2>-1.679636960e+02</b2></T_range></specie><specie inp_file_name="P4O9"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1989 pt1 p416 pt2 p269.</comment><reference>tpis89</reference><elements><element P="4" /><element O="9" /></elements><condensed>False</condensed><molecular_weight>0.267889644</molecular_weight><hf298.15>-2613979.111</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>2.199916395e+05</a1><a2>-3.336464940e+03</a2><a3>1.586413106e+01</a3><a4>7.402452330e-02</a4><a5>-1.034835052e-04</a5><a6>6.944438320e-08</a6><a7>-1.840733450e-11</a7><b1>-3.018742692e+05</b1><b2>-6.997967670e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.233696783e+06</a1><a2>-2.917032808e+03</a2><a3>3.917757110e+01</a3><a4>-8.736402980e-04</a4><a5>1.937914895e-07</a5><a6>-2.230510118e-11</a6><a7>1.037248818e-15</a7><b1>-3.129637516e+05</b1><b2>-1.897176420e+02</b2></T_range></specie><specie inp_file_name="P4O10"><identification><InChIKey>DLYUQMMRRRQYAE-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=P12OP3(=O)OP(=O)(O1)OP(=O)(O2)O3</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1989 pt1 p419 pt2 p271.</comment><reference>tpis89</reference><elements><element P="4" /><element O="10" /></elements><condensed>False</condensed><molecular_weight>0.28388904400000003</molecular_weight><hf298.15>-2906223.447</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.670142268e+05</a1><a2>-2.540243300e+03</a2><a3>1.136853403e+01</a3><a4>9.137812160e-02</a4><a5>-1.231990626e-04</a5><a6>8.081032230e-08</a6><a7>-2.106787011e-11</a7><b1>-3.410151910e+05</b1><b2>-4.643431340e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.337201132e+06</a1><a2>-3.516382330e+03</a2><a3>4.260403310e+01</a3><a4>-1.037406404e-03</a4><a5>2.287613089e-07</a5><a6>-2.620219946e-11</a6><a7>1.213529528e-15</a7><b1>-3.459515050e+05</b1><b2>-2.115498906e+02</b2></T_range></specie><specie inp_file_name="Pb"><identification><InChIKey>WABPQHHGFIMREM-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Pb]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>lead</IUPAC_name></identification><comment>Hf:Gurvich,1991. Moore,1971. Moore,1970a. Gordon,1999.</comment><reference>g 8/97</reference><elements><element Pb="1" /></elements><condensed>False</condensed><molecular_weight>0.2072</molecular_weight><hf298.15>195200.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.213382285e+03</a1><a2>-1.906116019e+01</a2><a3>2.619299546e+00</a3><a4>-3.829519610e-04</a4><a5>6.688180450e-07</a5><a6>-6.061231080e-10</a6><a7>2.240022429e-13</a7><b1>2.282096238e+04</b1><b2>6.201369200e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-9.084313070e+06</a1><a2>2.672673180e+04</a2><a3>-2.626244039e+01</a3><a4>1.358282305e-02</a4><a5>-2.685523566e-06</a5><a6>2.352432800e-10</a6><a7>-7.324114532e-15</a7><b1>-1.481650666e+05</b1><b2>2.154011624e+02</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>5.325474970e+08</a1><a2>-2.751419152e+05</a2><a3>6.303031930e+01</a3><a4>-6.813672740e-03</a4><a5>4.447489610e-07</a5><a6>-1.519361678e-11</a6><a7>2.043475665e-16</a7><b1>2.243651683e+06</b1><b2>-5.225649900e+02</b2></T_range></specie><specie inp_file_name="Pb+"><identification><InChIKey>WABPQHHGFIMREM-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Pb]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>lead</IUPAC_name></identification><comment>Moore1971. Moore,1970a. Gordon,1999.</comment><reference>g10/97</reference><elements><element Pb="1" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.20719945139999998</molecular_weight><hf298.15>916996.528</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>9.486689040e+00</a1><a2>-1.134955793e-01</a2><a3>2.500549799e+00</a3><a4>-1.382464681e-06</a4><a5>1.906022991e-09</a5><a6>-1.368396828e-12</a6><a7>4.003528117e-16</a7><b1>1.095438901e+05</b1><b2>7.538855900e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.320690183e+06</a1><a2>-4.096048010e+03</a2><a3>7.389101510e+00</a3><a4>-2.807751909e-03</a4><a5>7.830991650e-07</a5><a6>-9.310600910e-11</a6><a7>4.016371727e-15</a7><b1>1.354347306e+05</b1><b2>-2.722020908e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>4.101539500e+08</a1><a2>-2.538072503e+05</a2><a3>6.239804790e+01</a3><a4>-6.542962120e-03</a4><a5>3.507316530e-07</a5><a6>-8.114133770e-12</a6><a7>5.908352630e-17</a7><b1>2.122867468e+06</b1><b2>-5.163550210e+02</b2></T_range></specie><specie inp_file_name="Pb-"><identification><InChIKey>WABPQHHGFIMREM-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Pb]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>lead</IUPAC_name></identification><comment>Hotop,1985. Gordon,1999.</comment><reference>g 9/97</reference><elements><element Pb="1" /><element E="1" /></elements><condensed>False</condensed><molecular_weight>0.20720054859999998</molecular_weight><hf298.15>153881.928</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.500000000e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>1.776226140e+04</b1><b2>8.235132100e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.500000000e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>1.776226140e+04</b1><b2>8.235132100e+00</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.500000000e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>1.776226140e+04</b1><b2>8.235132100e+00</b2></T_range></specie><specie inp_file_name="PbBr"><identification><InChIKey>XQMUOIMHJMRRGK-UHFFFAOYSA-M</InChIKey><canonical_smiles>Br[Pb]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>bromolead</IUPAC_name></identification><comment>Gurvich,1991 pt1 p434 pt2 p360.</comment><reference>tpis91</reference><elements><element Pb="1" /><element Br="1" /></elements><condensed>False</condensed><molecular_weight>0.28710399999999997</molecular_weight><hf298.15>64821.322</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-2.393487988e+03</a1><a2>-4.576591210e+01</a2><a3>4.692608280e+00</a3><a4>-3.845290630e-04</a4><a5>5.888213500e-07</a5><a6>-4.084792890e-10</a6><a7>1.202515201e-13</a7><b1>6.662434770e+03</b1><b2>5.991705510e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.581831670e+06</a1><a2>7.143490760e+03</a2><a3>-2.658193640e+00</a3><a4>3.107722260e-03</a4><a5>-4.631381540e-07</a5><a6>1.095529211e-11</a6><a7>1.508555088e-15</a7><b1>-3.970440980e+04</b1><b2>5.959238650e+01</b2></T_range></specie><specie inp_file_name="PbBr2"><identification><InChIKey>ZASWJUOMEGBQCQ-UHFFFAOYSA-L</InChIKey><canonical_smiles>Br[Pb]Br</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dibromolead</IUPAC_name></identification><comment>Gurvich,1991 pt1 p437 pt2 p362.</comment><reference>tpis91</reference><elements><element Pb="1" /><element Br="2" /></elements><condensed>False</condensed><molecular_weight>0.367008</molecular_weight><hf298.15>-103908.063</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-6.172766360e+03</a1><a2>-6.783207630e+01</a2><a3>7.273156140e+00</a3><a4>-5.990596120e-04</a4><a5>7.358634610e-07</a5><a6>-4.743604810e-10</a6><a7>1.246922291e-13</a7><b1>-1.427890796e+04</b1><b2>-6.987992150e-01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.320421479e+04</a1><a2>-1.143074947e+00</a2><a3>7.000972540e+00</a3><a4>-4.284471610e-07</a4><a5>1.018044861e-10</a5><a6>-1.234016791e-14</a6><a7>5.971337650e-19</a7><b1>-1.462213750e+04</b1><b2>8.868582650e-01</b2></T_range></specie><specie inp_file_name="PbBr3"><identification><InChIKey>KPKRXKDMFGQZKR-UHFFFAOYSA-K</InChIKey><canonical_smiles>Br[Pb](Br)Br</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>tribromolead</IUPAC_name></identification><comment>Gurvich,1991 pt1 p438 pt2 p363.</comment><reference>tpis91</reference><elements><element Pb="1" /><element Br="3" /></elements><condensed>False</condensed><molecular_weight>0.446912</molecular_weight><hf298.15>-104010.957</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.164424250e+04</a1><a2>-1.555151665e+02</a2><a3>1.062317321e+01</a3><a4>-1.361947117e-03</a4><a5>1.668738791e-06</a5><a6>-1.073686019e-09</a6><a7>2.818250340e-13</a7><b1>-1.478208304e+04</b1><b2>-1.443758579e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.787930766e+04</a1><a2>-2.633265111e+00</a2><a3>1.000223199e+01</a3><a4>-9.807761410e-07</a4><a5>2.326232632e-10</a5><a6>-2.815994460e-14</a6><a7>1.361283735e-18</a7><b1>-1.556981182e+04</b1><b2>-1.081765474e+01</b2></T_range></specie><specie inp_file_name="PbBr4"><identification><InChIKey>HBRQLWCXJABKBQ-UHFFFAOYSA-J</InChIKey><canonical_smiles>Br[Pb](Br)(Br)Br</canonical_smiles><cas_number>13701-91-2</cas_number><IUPAC_name>tetrabromoplumbane</IUPAC_name></identification><comment>Gurvich,1991 pt1 p439 pt2 p364.</comment><reference>tpis91</reference><elements><element Pb="1" /><element Br="4" /></elements><condensed>False</condensed><molecular_weight>0.5268160000000001</molecular_weight><hf298.15>-182435.511</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.176458199e+04</a1><a2>-2.567166983e+02</a2><a3>1.402223292e+01</a3><a4>-2.224117068e-03</a4><a5>2.716201994e-06</a5><a6>-1.743340164e-09</a6><a7>4.567359750e-13</a7><b1>-2.462125551e+04</b1><b2>-2.882020750e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-3.880216030e+04</a1><a2>-4.382933770e+00</a2><a3>1.300369823e+01</a3><a4>-1.620061335e-06</a4><a5>3.834130880e-10</a5><a6>-4.633967180e-14</a6><a7>2.237427066e-18</a7><b1>-2.592327065e+04</b1><b2>-2.287710636e+01</b2></T_range></specie><specie inp_file_name="PbCl"><identification><InChIKey>ADWJVROMIGBQFN-UHFFFAOYSA-M</InChIKey><canonical_smiles>[Cl-].[Pb]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>lead;chloride</IUPAC_name></identification><comment>Gurvich,1991 pt1 p427 pt2 p355.</comment><reference>tpis91</reference><elements><element Pb="1" /><element Cl="1" /></elements><condensed>False</condensed><molecular_weight>0.24265299999999998</molecular_weight><hf298.15>8819.118</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-2.902700749e+03</a1><a2>-8.293459710e+01</a2><a3>4.714824480e+00</a3><a4>-1.931473228e-04</a4><a5>9.105579020e-08</a5><a6>5.419385230e-11</a6><a7>-3.284969700e-14</a7><b1>1.254460217e+02</b1><b2>4.323194455e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-3.854285530e+05</a1><a2>6.922197500e+02</a2><a3>4.509971240e+00</a3><a4>-6.853421300e-04</a4><a5>5.087395500e-07</a5><a6>-9.772753810e-11</a6><a7>5.807471580e-15</a7><b1>-5.269684720e+03</b1><b2>6.646491015e+00</b2></T_range></specie><specie inp_file_name="PbCl2"><identification><InChIKey>HWSZZLVAJGOAAY-UHFFFAOYSA-L</InChIKey><canonical_smiles>Cl[Pb]Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dichlorolead</IUPAC_name></identification><comment>Gurvich,1991 pt1 p430 pt2 p357.</comment><reference>tpis91</reference><elements><element Pb="1" /><element Cl="2" /></elements><condensed>False</condensed><molecular_weight>0.278106</molecular_weight><hf298.15>-175547.471</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>2.830580143e+03</a1><a2>-3.134256659e+02</a2><a3>8.212827290e+00</a3><a4>-2.585096173e-03</a4><a5>3.109456077e-06</a5><a6>-1.972978208e-09</a6><a7>5.123542480e-13</a7><b1>-2.167569042e+04</b1><b2>-9.219412244e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-3.149192744e+04</a1><a2>-5.565477580e+00</a2><a3>7.004599540e+00</a3><a4>-1.986025455e-06</a4><a5>4.651719590e-10</a5><a6>-5.579137010e-14</a6><a7>2.678143570e-18</a7><b1>-2.327439309e+04</b1><b2>-2.140739285e+00</b2></T_range></specie><specie inp_file_name="PbCl3"><identification><InChIKey>WPQLXCATSIYAHR-UHFFFAOYSA-K</InChIKey><canonical_smiles>Cl[Pb](Cl)Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>trichlorolead</IUPAC_name></identification><comment>Gurvich,1991 pt1 p432 pt2 p358.</comment><reference>tpis91</reference><elements><element Pb="1" /><element Cl="3" /></elements><condensed>False</condensed><molecular_weight>0.31355900000000003</molecular_weight><hf298.15>-177653.507</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>8.623588970e+02</a1><a2>-5.253152750e+02</a2><a3>1.203336337e+01</a3><a4>-4.335184980e-03</a4><a5>5.215698350e-06</a5><a6>-3.310022380e-09</a6><a7>8.596970610e-13</a7><b1>-2.180576379e+04</b1><b2>-2.694206962e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-5.664412790e+04</a1><a2>-9.329514790e+00</a2><a3>1.000771099e+01</a3><a4>-3.329727570e-06</a4><a5>7.799330810e-10</a5><a6>-9.354606100e-14</a6><a7>4.490589700e-18</a7><b1>-2.448508643e+04</b1><b2>-1.507490870e+01</b2></T_range></specie><specie inp_file_name="PbCl4"><identification><InChIKey>PJYXVICYYHGLSW-UHFFFAOYSA-J</InChIKey><canonical_smiles>Cl[Pb](Cl)(Cl)Cl</canonical_smiles><cas_number>13463-30-4</cas_number><IUPAC_name>tetrachloroplumbane</IUPAC_name></identification><comment>Gurvich,1991 pt1 p433 pt2 p359.</comment><reference>tpis91</reference><elements><element Pb="1" /><element Cl="4" /></elements><condensed>False</condensed><molecular_weight>0.349012</molecular_weight><hf298.15>-327430.362</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.739405796e+04</a1><a2>-8.902139320e+02</a2><a3>1.637565058e+01</a3><a4>-7.088992260e-03</a4><a5>8.432567340e-06</a5><a6>-5.305309390e-09</a6><a7>1.368671294e-12</a7><b1>-3.888215620e+04</b1><b2>-4.850133784e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-8.266679560e+04</a1><a2>-1.639486405e+01</a2><a3>1.301336711e+01</a3><a4>-5.716141400e-06</a4><a5>1.329368390e-09</a5><a6>-1.585922492e-13</a6><a7>7.581763610e-18</a7><b1>-4.343984220e+04</b1><b2>-2.874559263e+01</b2></T_range></specie><specie inp_file_name="PbF"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1991 pt1 p419 pt2 p350.</comment><reference>tpis91</reference><elements><element Pb="1" /><element F="1" /></elements><condensed>False</condensed><molecular_weight>0.2261984032</molecular_weight><hf298.15>-98867.789</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>2.684864255e+04</a1><a2>-4.751725640e+02</a2><a3>6.019644370e+00</a3><a4>-2.718531008e-03</a4><a5>2.942882954e-06</a5><a6>-1.687543009e-09</a6><a7>4.086122080e-13</a7><b1>-1.079038653e+04</b1><b2>-4.983048840e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-4.734202750e+05</a1><a2>1.027785283e+03</a2><a3>3.888658730e+00</a3><a4>-1.649813448e-04</a4><a5>2.931163260e-07</a5><a6>-5.766459650e-11</a6><a7>3.247486190e-15</a7><b1>-2.026165076e+04</b1><b2>9.319483890e+00</b2></T_range></specie><specie inp_file_name="PbF2"><identification><InChIKey>FPHIOHCCQGUGKU-UHFFFAOYSA-L</InChIKey><canonical_smiles>F[Pb]F</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>difluorolead</IUPAC_name></identification><comment>Gurvich,1991 pt1 p424 pt2 p352.</comment><reference>tpis91</reference><elements><element Pb="1" /><element F="2" /></elements><condensed>False</condensed><molecular_weight>0.24519680640000002</molecular_weight><hf298.15>-443427.390</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>5.920552280e+04</a1><a2>-1.052529292e+03</a2><a3>1.028969284e+01</a3><a4>-5.876346270e-03</a4><a5>6.102333130e-06</a5><a6>-3.424792640e-09</a6><a7>8.024025420e-13</a7><b1>-4.999050000e+04</b1><b2>-2.525115478e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-8.505899770e+04</a1><a2>-3.074244334e+01</a2><a3>7.023346040e+00</a3><a4>-9.455183590e-06</a4><a5>2.108489027e-09</a5><a6>-2.434212002e-13</a6><a7>1.133872429e-17</a7><b1>-5.552236770e+04</b1><b2>-5.496073220e+00</b2></T_range></specie><specie inp_file_name="PbF3"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1991 pt1 p425 pt2 p353.</comment><reference>tpis91</reference><elements><element Pb="1" /><element F="3" /></elements><condensed>False</condensed><molecular_weight>0.2641952096</molecular_weight><hf298.15>-489572.613</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>8.553090870e+04</a1><a2>-1.731036694e+03</a2><a3>1.556596150e+01</a3><a4>-1.022225919e-02</a4><a5>1.089984998e-05</a5><a6>-6.269998820e-09</a6><a7>1.502616508e-12</a7><b1>-5.300335670e+04</b1><b2>-5.335733480e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.459704258e+05</a1><a2>-4.820396430e+01</a2><a3>1.003685845e+01</a3><a4>-1.501095764e-05</a4><a5>3.362474990e-09</a5><a6>-3.896020710e-13</a6><a7>1.820152103e-17</a7><b1>-6.206869590e+04</b1><b2>-2.006978661e+01</b2></T_range></specie><specie inp_file_name="PbF4"><identification><InChIKey>YAFKGUAJYKXPDI-UHFFFAOYSA-J</InChIKey><canonical_smiles>F[Pb](F)(F)F</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>tetrafluoroplumbane</IUPAC_name></identification><comment>Gurvich,1991 pt1 p426 pt2 p354.</comment><reference>tpis91</reference><elements><element Pb="1" /><element F="4" /></elements><condensed>False</condensed><molecular_weight>0.2831936128</molecular_weight><hf298.15>-799925.173</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.309963563e+05</a1><a2>-2.307299499e+03</a2><a3>1.945201440e+01</a3><a4>-1.024522729e-02</a4><a5>9.395874960e-06</a5><a6>-4.626894150e-09</a6><a7>9.450881430e-13</a7><b1>-8.804147460e+04</b1><b2>-7.524645820e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.132616322e+05</a1><a2>-8.578621950e+01</a2><a3>1.306428551e+01</a3><a4>-2.575563598e-05</a4><a5>5.693324590e-09</a5><a6>-6.526219550e-13</a6><a7>3.022341960e-17</a7><b1>-1.002908979e+05</b1><b2>-3.590240280e+01</b2></T_range></specie><specie inp_file_name="PbI"><identification><InChIKey>DXZHSXGZOSIEBM-UHFFFAOYSA-M</InChIKey><canonical_smiles>I[Pb]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>iodolead</IUPAC_name></identification><comment>Gurvich,1991 pt1 p440 pt2 p365.</comment><reference>tpis91</reference><elements><element Pb="1" /><element I="1" /></elements><condensed>False</condensed><molecular_weight>0.33410447</molecular_weight><hf298.15>108904.324</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-2.717334060e+03</a1><a2>-1.542541996e+01</a2><a3>4.565327900e+00</a3><a4>-1.061215818e-04</a4><a5>2.414841342e-07</a5><a6>-1.876070301e-10</a6><a7>6.460614270e-14</a7><b1>1.181864978e+04</b1><b2>7.669802670e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-3.901070250e+06</a1><a2>1.147976718e+04</a2><a3>-8.176109020e+00</a3><a4>6.523454700e-03</a4><a5>-1.522611682e-06</a5><a6>1.626692202e-10</a6><a7>-6.553328880e-15</a7><b1>-6.154433690e+04</b1><b2>9.938404970e+01</b2></T_range></specie><specie inp_file_name="PbI2"><identification><InChIKey>RQQRAHKHDFPBMC-UHFFFAOYSA-L</InChIKey><canonical_smiles>I[Pb]I</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>diiodolead</IUPAC_name></identification><comment>Gurvich,1991 pt1 p443 pt2 p367.</comment><reference>tpis91</reference><elements><element Pb="1" /><element I="2" /></elements><condensed>False</condensed><molecular_weight>0.46100894</molecular_weight><hf298.15>-10252.630</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-5.904986720e+03</a1><a2>-4.833307030e+01</a2><a3>7.195438030e+00</a3><a4>-4.298600090e-04</a4><a5>5.291412070e-07</a5><a6>-3.416402820e-10</a6><a7>8.991341920e-14</a7><b1>-3.107780155e+03</b1><b2>1.324773678e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.088339477e+04</a1><a2>-8.164418370e-01</a2><a3>7.000697300e+00</a3><a4>-3.079876763e-07</a4><a5>7.331718140e-11</a5><a6>-8.899193880e-15</a6><a7>4.310712500e-19</a7><b1>-3.352096380e+03</b1><b2>2.458605463e+00</b2></T_range></specie><specie inp_file_name="PbI3"><identification><InChIKey>WBJNZRCLGANAAI-UHFFFAOYSA-K</InChIKey><canonical_smiles>I[Pb](I)I</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>triiodolead</IUPAC_name></identification><comment>Gurvich,1991 pt1 p444 pt2 p368.</comment><reference>tpis91</reference><elements><element Pb="1" /><element I="3" /></elements><condensed>False</condensed><molecular_weight>0.58791341</molecular_weight><hf298.15>21755.412</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.014996331e+04</a1><a2>-5.938078200e+01</a2><a3>1.024073798e+01</a3><a4>-5.304694530e-04</a4><a5>6.538623030e-07</a5><a6>-4.225895720e-10</a6><a7>1.113029818e-13</a7><b1>-1.138482403e+02</b1><b2>-8.975540500e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.624229573e+04</a1><a2>-1.002945584e+00</a2><a3>1.000085839e+01</a3><a4>-3.796679740e-07</a4><a5>9.046751720e-11</a5><a6>-1.098840054e-14</a6><a7>5.325388290e-19</a7><b1>-4.138258930e+02</b1><b2>-7.579417110e+00</b2></T_range></specie><specie inp_file_name="PbI4"><identification><InChIKey>CDTCEQPLAWQMLB-UHFFFAOYSA-J</InChIKey><canonical_smiles>I[Pb](I)(I)I</canonical_smiles><cas_number>13779-98-1</cas_number><IUPAC_name>tetraiodoplumbane</IUPAC_name></identification><comment>Gurvich,1991 pt1 p445 pt2 p369.</comment><reference>tpis91</reference><elements><element Pb="1" /><element I="4" /></elements><condensed>False</condensed><molecular_weight>0.7148178799999999</molecular_weight><hf298.15>-41226.459</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.217096972e+04</a1><a2>-7.226317440e+01</a2><a3>1.329294204e+01</a3><a4>-6.454660900e-04</a4><a5>7.955761850e-07</a5><a6>-5.141632830e-10</a6><a7>1.354188031e-13</a7><b1>-8.528148680e+03</b1><b2>-2.010457498e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.958477744e+04</a1><a2>-1.223385179e+00</a2><a3>1.300104732e+01</a3><a4>-4.633295690e-07</a4><a5>1.104213978e-10</a5><a6>-1.341397771e-14</a6><a7>6.501706110e-19</a7><b1>-8.893193200e+03</b1><b2>-1.840570345e+01</b2></T_range></specie><specie inp_file_name="PbO"><identification><InChIKey>YEXPOXQUZXUXJW-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[Pb]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>oxolead</IUPAC_name></identification><comment>Gurvich,1991 pt1 p413 pt2 p345.</comment><reference>tpis91</reference><elements><element Pb="1" /><element O="1" /></elements><condensed>False</condensed><molecular_weight>0.2231994</molecular_weight><hf298.15>68137.108</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>3.424025000e+04</a1><a2>-4.198050110e+02</a2><a3>4.720306410e+00</a3><a4>1.451061751e-03</a4><a5>-3.206035460e-06</a5><a6>2.713956273e-09</a6><a7>-8.333275610e-13</a7><b1>9.253186470e+03</b1><b2>4.482891210e-01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>2.426996850e+05</a1><a2>-1.107731354e+02</a2><a3>3.180684490e+00</a3><a4>1.991815065e-03</a4><a5>-1.079782025e-06</a5><a6>2.540990941e-10</a6><a7>-1.834652493e-14</a7><b1>8.339391540e+03</b1><b2>1.050920926e+01</b2></T_range></specie><specie inp_file_name="PbO2"><identification><InChIKey>YADSGOSSYOOKMP-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[Pb]=O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dioxolead</IUPAC_name></identification><comment>Gurvich,1991 pt1 p416 pt2 p347.</comment><reference>tpis91</reference><elements><element Pb="1" /><element O="2" /></elements><condensed>False</condensed><molecular_weight>0.23919880000000002</molecular_weight><hf298.15>136152.734</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>7.071058290e+04</a1><a2>-1.076757462e+03</a2><a3>9.401711730e+00</a3><a4>-1.003861584e-03</a4><a5>-1.233815617e-06</a5><a6>1.858386979e-09</a6><a7>-6.834621210e-13</a7><b1>1.999645981e+04</b1><b2>-2.503976748e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.307796670e+05</a1><a2>-7.314361450e+01</a2><a3>7.554083410e+00</a3><a4>-2.143421561e-05</a4><a5>4.696464000e-09</a5><a6>-5.344972180e-13</a6><a7>2.460760535e-17</a7><b1>1.413386101e+04</b1><b2>-1.252684909e+01</b2></T_range></specie><specie inp_file_name="PbS"><identification><InChIKey>XCAUINMIESBTBL-UHFFFAOYSA-N</InChIKey><canonical_smiles>S=[Pb]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>sulfanylidenelead</IUPAC_name></identification><comment>Gurvich,1991 pt1 p448 pt2 p371.</comment><reference>tpis91</reference><elements><element Pb="1" /><element S="1" /></elements><condensed>False</condensed><molecular_weight>0.23926499999999998</molecular_weight><hf298.15>127945.313</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.529840503e+04</a1><a2>-3.439746350e+02</a2><a3>5.680630640e+00</a3><a4>-2.232931917e-03</a4><a5>2.504608209e-06</a5><a6>-1.470427328e-09</a6><a7>3.577527190e-13</a7><b1>1.578551202e+04</b1><b2>-2.628900926e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>2.105441649e+06</a1><a2>-5.520413580e+03</a2><a3>9.369249260e+00</a3><a4>-1.410262019e-03</a4><a5>-1.642683362e-07</a5><a6>1.451447577e-10</a6><a7>-1.393564925e-14</a7><b1>5.009334530e+04</b1><b2>-3.217417657e+01</b2></T_range></specie><specie inp_file_name="PbS2"><identification><InChIKey>CFCOCNLKEULEBS-UHFFFAOYSA-N</InChIKey><canonical_smiles>[S-2].[S-2].[Pb]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>lead;disulfide</IUPAC_name></identification><comment>Gurvich,1991 pt1 p450 pt2 p372.</comment><reference>tpis91</reference><elements><element Pb="1" /><element S="2" /></elements><condensed>False</condensed><molecular_weight>0.27132999999999996</molecular_weight><hf298.15>244049.005</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>2.446375880e+04</a1><a2>-6.654855460e+02</a2><a3>9.920201180e+00</a3><a4>-4.924194380e-03</a4><a5>5.716906290e-06</a5><a6>-3.529488830e-09</a6><a7>8.971138350e-13</a7><b1>3.044310130e+04</b1><b2>-2.295765552e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-5.416700300e+04</a1><a2>-1.343600342e+01</a2><a3>7.510700360e+00</a3><a4>-4.497318630e-06</a4><a5>1.032444494e-09</a5><a6>-1.219580043e-13</a6><a7>5.785804650e-18</a7><b1>2.701229533e+04</b1><b2>-8.714618097e+00</b2></T_range></specie><specie inp_file_name="Rb"><identification><InChIKey>IGLNJRXAVVLDKE-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Rb]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>rubidium</IUPAC_name></identification><comment>Hf:Cox,1989. Moore,1971. Moore,1970a. Gordon,1999.</comment><reference>g 1/98</reference><elements><element Rb="1" /></elements><condensed>False</condensed><molecular_weight>0.0854678</molecular_weight><hf298.15>80900.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.352856616e+01</a1><a2>-2.042232679e-01</a2><a3>2.501213823e+00</a3><a4>-3.650619900e-06</a4><a5>5.884722670e-09</a5><a6>-4.842274720e-12</a6><a7>1.596211946e-15</a7><b1>8.985569210e+03</b1><b2>6.207005480e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.138274064e+06</a1><a2>3.804041940e+03</a2><a3>-2.750899258e+00</a3><a4>3.891460700e-03</a4><a5>-1.632296823e-06</a5><a6>3.511893140e-10</a6><a7>-2.521064422e-14</a7><b1>-1.466454849e+04</b1><b2>4.253442370e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>3.245192200e+08</a1><a2>-3.493850870e+05</a2><a3>1.159097652e+02</a3><a4>-1.492843123e-02</a4><a5>9.582385060e-07</a5><a6>-2.996233671e-11</a6><a7>3.657332046e-16</a7><b1>2.636178014e+06</b1><b2>-9.586517230e+02</b2></T_range></specie><specie inp_file_name="Rb+"><identification><InChIKey>NCCSSGKUIKYAJD-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Rb+]</canonical_smiles><cas_number>22537-38-8</cas_number><IUPAC_name>rubidium(1+)</IUPAC_name></identification><comment>Moore,1971. IP:Moore,1970a. Gordon,1999.</comment><reference>g 1/98</reference><elements><element Rb="1" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.0854672514</molecular_weight><hf298.15>490129.128</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.500000000e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>5.820327360e+04</b1><b2>5.520506920e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.500000000e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>5.820327360e+04</b1><b2>5.520506920e+00</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>4.120352830e+07</a1><a2>-2.920376515e+04</a2><a3>1.102096776e+01</a3><a4>-1.311457972e-03</a4><a5>1.124752629e-07</a5><a6>-5.107819770e-12</a6><a7>9.622794537e-17</a7><b1>2.850166118e+05</b1><b2>-6.672202250e+01</b2></T_range></specie><specie inp_file_name="Rb-"><identification><InChIKey>IGLNJRXAVVLDKE-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Rb]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>rubidium</IUPAC_name></identification><comment>Hotop,1985. Gordon,1999.</comment><reference>g 9/97</reference><elements><element Rb="1" /><element E="1" /></elements><condensed>False</condensed><molecular_weight>0.0854683486</molecular_weight><hf298.15>27818.528</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.500000000e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>2.600405796e+03</b1><b2>5.520526170e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.500000000e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>2.600405796e+03</b1><b2>5.520526170e+00</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.500000000e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>2.600405796e+03</b1><b2>5.520526170e+00</b2></T_range></specie><specie inp_file_name="RbBO2"><identification><InChIKey>QXVQCIZYMCIUDZ-UHFFFAOYSA-N</InChIKey><canonical_smiles>B(=O)[O-].[Rb+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>oxido(oxo)borane;rubidium(1+)</IUPAC_name></identification><comment>Gurvich,1982 pt1 p459 pt2 p483.</comment><reference>tpis82</reference><elements><element Rb="1" /><element B="1" /><element O="2" /></elements><condensed>False</condensed><molecular_weight>0.12827760000000002</molecular_weight><hf298.15>-678977.302</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>4.198657750e+04</a1><a2>-6.799448330e+02</a2><a3>8.185151010e+00</a3><a4>2.772536733e-03</a4><a5>-6.175770470e-07</a5><a6>-9.426136250e-10</a6><a7>4.722414240e-13</a7><b1>-8.020339590e+04</b1><b2>-1.239198887e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>9.154463400e+04</a1><a2>-1.668328341e+03</a2><a3>1.117268757e+01</a3><a4>-4.505533530e-04</a4><a5>9.681330590e-08</a5><a6>-1.088037652e-11</a6><a7>4.967733660e-16</a7><b1>-7.507903250e+04</b1><b2>-3.131951149e+01</b2></T_range></specie><specie inp_file_name="RbBr"><identification><InChIKey>JAAGVIUFBAHDMA-UHFFFAOYSA-M</InChIKey><canonical_smiles>[Br-].[Rb+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>rubidium(1+);bromide</IUPAC_name></identification><comment>Gurvich,1982 pt1 p446 pt2 p470.</comment><reference>tpis82</reference><elements><element Rb="1" /><element Br="1" /></elements><condensed>False</condensed><molecular_weight>0.1653718</molecular_weight><hf298.15>-191510.876</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-5.703859700e+03</a1><a2>2.092281597e+01</a2><a3>4.370607370e+00</a3><a4>4.494604780e-04</a4><a5>-4.835438840e-07</a5><a6>3.526068600e-10</a6><a7>-9.886538320e-14</a7><b1>-2.449112515e+04</b1><b2>6.427431700e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.609092474e+06</a1><a2>-4.466774590e+03</a2><a3>9.064092060e+00</a3><a4>-1.995333358e-03</a4><a5>4.016633520e-07</a5><a6>-4.163091400e-12</a6><a7>-3.092443341e-15</a7><b1>4.427467690e+03</b1><b2>-2.757714089e+01</b2></T_range></specie><specie inp_file_name="RbCl"><identification><InChIKey>FGDZQCVHDSGLHJ-UHFFFAOYSA-M</InChIKey><canonical_smiles>[Cl-].[Rb+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>rubidium(1+);chloride</IUPAC_name></identification><comment>Gurvich,1982 pt1 p443 pt2 p467.</comment><reference>tpis82</reference><elements><element Rb="1" /><element Cl="1" /></elements><condensed>False</condensed><molecular_weight>0.1209208</molecular_weight><hf298.15>-223322.879</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-5.740809580e+03</a1><a2>-1.528835285e+01</a2><a3>4.515200900e+00</a3><a4>1.067270745e-04</a4><a5>-6.385945590e-09</a5><a6>-1.301381692e-11</a6><a7>1.641459742e-14</a7><b1>-2.814243986e+04</b1><b2>4.190115141e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.143043004e+06</a1><a2>4.003861880e+03</a2><a3>-1.096156782e+00</a3><a4>4.033581280e-03</a4><a5>-1.454151464e-06</a5><a6>2.719263762e-10</a6><a7>-1.810463980e-14</a7><b1>-5.297686040e+04</b1><b2>4.311317822e+01</b2></T_range></specie><specie inp_file_name="RbF"><identification><InChIKey>AHLATJUETSFVIM-UHFFFAOYSA-M</InChIKey><canonical_smiles>[F-].[Rb+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>rubidium(1+);fluoride</IUPAC_name></identification><comment>Gurvich,1982 pt1 p440 pt2 p464.</comment><reference>tpis82</reference><elements><element Rb="1" /><element F="1" /></elements><condensed>False</condensed><molecular_weight>0.1044662032</molecular_weight><hf298.15>-333511.885</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>3.287360190e+04</a1><a2>-6.080907460e+02</a2><a3>7.406622360e+00</a3><a4>-7.277864720e-03</a4><a5>1.013930727e-05</a5><a6>-7.141372500e-09</a6><a7>2.014332982e-12</a7><b1>-3.849834130e+04</b1><b2>-1.375750778e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-8.544811150e+05</a1><a2>2.633756505e+03</a2><a3>1.216216506e+00</a3><a4>2.136494067e-03</a4><a5>-6.728426080e-07</a5><a6>1.134905135e-10</a6><a7>-6.825624440e-15</a7><b1>-5.810179110e+04</b1><b2>2.588118896e+01</b2></T_range></specie><specie inp_file_name="RbH"><identification><InChIKey>FABXTBQKJHJDMC-UHFFFAOYSA-N</InChIKey><canonical_smiles>[H-].[Rb+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>hydride;rubidium(1+)</IUPAC_name></identification><comment>Gurvich,1982 pt1 p435 pt2 p459.</comment><reference>tpis82</reference><elements><element Rb="1" /><element H="1" /></elements><condensed>False</condensed><molecular_weight>0.08647574</molecular_weight><hf298.15>119324.106</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>8.908270610e+03</a1><a2>4.649870400e+01</a2><a3>1.833967623e+00</a3><a4>8.444279140e-03</a4><a5>-1.167538647e-05</a5><a6>8.010389420e-09</a6><a7>-2.162578321e-12</a7><b1>1.328248009e+04</b1><b2>1.279544976e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.937703530e+06</a1><a2>9.379817260e+03</a2><a3>-7.542563460e+00</a3><a4>7.493226800e-03</a4><a5>-2.159228887e-06</a5><a6>2.871300173e-10</a6><a7>-1.459981256e-14</a7><b1>-4.595518830e+04</b1><b2>8.365664320e+01</b2></T_range></specie><specie inp_file_name="RbI"><identification><InChIKey>WFUBYPSJBBQSOU-UHFFFAOYSA-M</InChIKey><canonical_smiles>[Rb+].[I-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>rubidium(1+);iodide</IUPAC_name></identification><comment>Gurvich,1982 pt1 p449 pt2 p473.</comment><reference>tpis82</reference><elements><element Rb="1" /><element I="1" /></elements><condensed>False</condensed><molecular_weight>0.21237226999999997</molecular_weight><hf298.15>-138480.874</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-7.693052800e+02</a1><a2>-2.968608844e+01</a2><a3>4.648745840e+00</a3><a4>-2.962415236e-04</a4><a5>5.978135340e-07</a5><a6>-4.351255250e-10</a6><a7>1.313617336e-13</a7><b1>-1.786610717e+04</b1><b2>5.812409830e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>4.297424850e+06</a1><a2>-1.296911161e+04</a2><a3>1.958730402e+01</a3><a4>-8.458425590e-03</a4><a5>2.463480035e-06</a5><a6>-3.191575730e-10</a6><a7>1.458455589e-14</a7><b1>6.432948040e+04</b1><b2>-1.009499336e+02</b2></T_range></specie><specie inp_file_name="RbK"><identification><InChIKey>SATRGOPDDYUNHW-UHFFFAOYSA-N</InChIKey><canonical_smiles>[K+].[Rb+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>potassium;rubidium(1+)</IUPAC_name></identification><comment>Gurvich,1982 pt1 p462 pt2 p486.</comment><reference>tpis82</reference><elements><element Rb="1" /><element K="1" /></elements><condensed>False</condensed><molecular_weight>0.1245661</molecular_weight><hf298.15>120013.330</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>2.494695429e+04</a1><a2>-4.553060660e+02</a2><a3>7.686189950e+00</a3><a4>-1.108112244e-02</a4><a5>2.093398586e-05</a5><a6>-1.824445366e-08</a6><a7>5.617645360e-12</a7><b1>1.516136160e+04</b1><b2>-1.063563675e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-4.175391070e+06</a1><a2>5.918588510e+03</a2><a3>9.202649420e+00</a3><a4>-1.060933600e-02</a4><a5>4.964826060e-06</a5><a6>-8.716698790e-10</a6><a7>5.221887960e-14</a7><b1>-3.272769040e+04</b1><b2>-1.372401997e+01</b2></T_range></specie><specie inp_file_name="RbLi"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1982 pt1 p460 pt2 p484.</comment><reference>tpis82</reference><elements><element Rb="1" /><element Li="1" /></elements><condensed>False</condensed><molecular_weight>0.0924088</molecular_weight><hf298.15>164181.324</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-2.263413044e+03</a1><a2>-2.888496910e+01</a2><a3>4.555826540e+00</a3><a4>3.625667530e-04</a4><a5>-9.598002220e-07</a5><a6>1.631010244e-09</a6><a7>-8.159825980e-13</a7><b1>1.853455250e+04</b1><b2>2.831743182e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.085515194e+07</a1><a2>-3.805106970e+04</a2><a3>5.516555040e+01</a3><a4>-3.128845612e-02</a4><a5>9.261650250e-06</a5><a6>-1.264671408e-09</a6><a7>6.431662050e-14</a7><b1>2.543964131e+05</b1><b2>-3.520758710e+02</b2></T_range></specie><specie inp_file_name="RbNO2"><identification><InChIKey>VPMVPQJJBGXJAI-UHFFFAOYSA-M</InChIKey><canonical_smiles>N(=O)[O-].[Rb+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>rubidium(1+);nitrite</IUPAC_name></identification><comment>Gurvich,1982 pt1 p454 pt2 p478.</comment><reference>tpis82</reference><elements><element Rb="1" /><element N="1" /><element O="2" /></elements><condensed>False</condensed><molecular_weight>0.1314733</molecular_weight><hf298.15>-187629.777</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-7.199420030e+04</a1><a2>1.265802595e+03</a2><a3>-2.415715742e+00</a3><a4>3.054641420e-02</a4><a5>-3.684004050e-05</a5><a6>2.247716481e-08</a6><a7>-5.547527430e-12</a7><b1>-3.037381667e+04</b1><b2>4.814256904e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.644994453e+05</a1><a2>-8.499443440e+02</a2><a3>1.063080575e+01</a3><a4>-2.517893988e-04</a4><a5>5.561420120e-08</a5><a6>-6.378805600e-12</a6><a7>2.957679896e-16</a7><b1>-2.128590982e+04</b1><b2>-2.568367325e+01</b2></T_range></specie><specie inp_file_name="RbNO3"><identification><InChIKey>RTHYXYOJKHGZJT-UHFFFAOYSA-N</InChIKey><canonical_smiles>[N+](=O)([O-])[O-].[Rb+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>rubidium(1+);nitrate</IUPAC_name></identification><comment>Gurvich,1982 pt1 p456 pt2 p480.</comment><reference>tpis82</reference><elements><element Rb="1" /><element N="1" /><element O="3" /></elements><condensed>False</condensed><molecular_weight>0.1474727</molecular_weight><hf298.15>-314972.483</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-2.664669172e+04</a1><a2>8.807634790e+02</a2><a3>-3.159459457e+00</a3><a4>4.271229020e-02</a4><a5>-5.351029210e-05</a5><a6>3.360969750e-08</a6><a7>-8.503290510e-12</a7><b1>-4.353595460e+04</b1><b2>4.943052899e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-3.147413867e+05</a1><a2>-1.371457846e+03</a2><a3>1.401319759e+01</a3><a4>-4.030275020e-04</a4><a5>8.878332290e-08</a5><a6>-1.016221214e-11</a6><a7>4.704254090e-16</a7><b1>-3.504339940e+04</b1><b2>-4.619379241e+01</b2></T_range></specie><specie inp_file_name="RbNa"><identification><InChIKey>CVNOGDQYHRJJBS-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Na+].[Rb+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>sodium;rubidium(1+)</IUPAC_name></identification><comment>Gurvich,1982 pt1 p461 pt2 p485.</comment><reference>tpis82</reference><elements><element Rb="1" /><element Na="1" /></elements><condensed>False</condensed><molecular_weight>0.10845757</molecular_weight><hf298.15>131470.328</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>2.974455567e+04</a1><a2>-5.082790590e+02</a2><a3>7.734033520e+00</a3><a4>-1.013006840e-02</a4><a5>1.745455325e-05</a5><a6>-1.398725470e-08</a6><a7>3.968106770e-12</a7><b1>1.682379436e+04</b1><b2>-1.240085290e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>4.297114270e+06</a1><a2>-1.831013588e+04</a2><a3>3.454394200e+01</a3><a4>-2.230134993e-02</a4><a5>7.339874530e-06</a5><a6>-1.064784996e-09</a6><a7>5.617598460e-14</a7><b1>1.242610951e+05</b1><b2>-1.993661980e+02</b2></T_range></specie><specie inp_file_name="RbO"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1982 pt1 p429 pt2 p452.</comment><reference>tpis82</reference><elements><element Rb="1" /><element O="1" /></elements><condensed>False</condensed><molecular_weight>0.10146720000000001</molecular_weight><hf298.15>52489.324</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.900081316e+05</a1><a2>-3.428228990e+03</a2><a3>2.480251273e+01</a3><a4>-5.051654580e-02</a4><a5>6.476338760e-05</a5><a6>-4.198012420e-08</a6><a7>1.093889043e-11</a7><b1>2.083898450e+04</b1><b2>-1.097559150e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>6.170756880e+05</a1><a2>-2.175089620e+03</a2><a3>8.290412210e+00</a3><a4>-2.996487663e-03</a4><a5>1.233144275e-06</a5><a6>-2.115810631e-10</a6><a7>1.242607430e-14</a7><b1>1.828164827e+04</b1><b2>-2.117386042e+01</b2></T_range></specie><specie inp_file_name="RbOH"><identification><InChIKey>CPRMKOQKXYSDML-UHFFFAOYSA-M</InChIKey><canonical_smiles>[OH-].[Rb+]</canonical_smiles><cas_number>1310-82-3</cas_number><IUPAC_name>rubidium(1+);hydroxide</IUPAC_name></identification><comment>Gurvich,1997.</comment><reference>g 9/97</reference><elements><element Rb="1" /><element O="1" /><element H="1" /></elements><condensed>False</condensed><molecular_weight>0.10247513999999999</molecular_weight><hf298.15>-238000.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.213832721e+04</a1><a2>-5.441411590e+02</a2><a3>8.459814640e+00</a3><a4>-3.561526560e-03</a4><a5>2.992872390e-06</a5><a6>-7.280267400e-10</a6><a7>-4.553847180e-14</a7><b1>-2.787262486e+04</b1><b2>-1.913421991e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>8.958583130e+05</a1><a2>-2.332339000e+03</a2><a3>7.971192480e+00</a3><a4>1.044439355e-04</a4><a5>-6.328257750e-08</a5><a6>1.029358824e-11</a6><a7>-5.743277790e-16</a7><b1>-1.515568947e+04</b1><b2>-1.950051629e+01</b2></T_range></specie><specie inp_file_name="Rb2Br2"><identification><InChIKey>CBMVERVLGLIZAL-UHFFFAOYSA-L</InChIKey><canonical_smiles>[Br-].[Br-].[Rb+].[Rb+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>rubidium(1+);dibromide</IUPAC_name></identification><comment>Gurvich,1982 pt1 p447 pt2 p471.</comment><reference>tpis82</reference><elements><element Rb="2" /><element Br="2" /></elements><condensed>False</condensed><molecular_weight>0.3307436</molecular_weight><hf298.15>-551801.433</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-8.005525400e+03</a1><a2>-2.111968088e+01</a2><a3>1.008629404e+01</a3><a4>-1.911936090e-04</a4><a5>2.366059490e-07</a5><a6>-1.533722380e-10</a6><a7>4.048725060e-14</a7><b1>-6.927313600e+04</b1><b2>-9.622434630e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.014535336e+04</a1><a2>-3.601550320e-01</a2><a3>1.000031058e+01</a3><a4>-1.380745805e-07</a4><a5>3.302067950e-11</a5><a6>-4.021581820e-15</a6><a7>1.953006729e-19</a7><b1>-6.937960880e+04</b1><b2>-9.122562360e+00</b2></T_range></specie><specie inp_file_name="Rb2Cl2"><identification><InChIKey>SXKFOROWXJWZAN-UHFFFAOYSA-L</InChIKey><canonical_smiles>[Cl-].[Cl-].[Rb+].[Rb+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>rubidium(1+);dichloride</IUPAC_name></identification><comment>Gurvich,1982 pt1 p444 pt2 p468.</comment><reference>tpis82</reference><elements><element Rb="2" /><element Cl="2" /></elements><condensed>False</condensed><molecular_weight>0.2418416</molecular_weight><hf298.15>-618373.536</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.125039522e+04</a1><a2>-6.756953990e+01</a2><a3>1.027381915e+01</a3><a4>-6.031848990e-04</a4><a5>7.433324780e-07</a5><a6>-4.803372160e-10</a6><a7>1.264973638e-13</a7><b1>-7.706757500e+04</b1><b2>-1.363652575e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.818875133e+04</a1><a2>-1.137903580e+00</a2><a3>1.000097318e+01</a3><a4>-4.302156400e-07</a4><a5>1.024725787e-10</a5><a6>-1.244291058e-14</a6><a7>6.028912390e-19</a7><b1>-7.740897670e+04</b1><b2>-1.204843385e+01</b2></T_range></specie><specie inp_file_name="Rb2F2"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1982 pt1 p441 pt2 p465.</comment><reference>tpis82</reference><elements><element Rb="2" /><element F="2" /></elements><condensed>False</condensed><molecular_weight>0.2089324064</molecular_weight><hf298.15>-854913.348</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-8.178347100e+03</a1><a2>-3.334733540e+02</a2><a3>1.131540799e+01</a3><a4>-2.842914926e-03</a4><a5>3.454959580e-06</a5><a6>-2.209373419e-09</a6><a7>5.772073270e-13</a7><b1>-1.042230504e+05</b1><b2>-2.368991587e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-4.376574390e+04</a1><a2>-5.761452040e+00</a2><a3>1.000482691e+01</a3><a4>-2.104159548e-06</a4><a5>4.962416270e-10</a5><a6>-5.982174970e-14</a6><a7>2.882751742e-18</a7><b1>-1.059176154e+05</b1><b2>-1.603254014e+01</b2></T_range></specie><specie inp_file_name="Rb2I2"><identification><InChIKey>UJNILCVSGPAPSR-UHFFFAOYSA-L</InChIKey><canonical_smiles>[Rb+].[Rb+].[I-].[I-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>rubidium(1+);diiodide</IUPAC_name></identification><comment>Gurvich,1982 pt1 p450 pt2 p474.</comment><reference>tpis82</reference><elements><element Rb="2" /><element I="2" /></elements><condensed>False</condensed><molecular_weight>0.42474453999999995</molecular_weight><hf298.15>-432956.482</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-5.839663550e+03</a1><a2>-9.527537900e+00</a2><a3>1.003904495e+01</a3><a4>-8.668754000e-05</a4><a5>1.074384368e-07</a5><a6>-6.972122230e-11</a6><a7>1.842065721e-14</a7><b1>-5.502780960e+04</b1><b2>-7.174113320e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-6.799834640e+03</a1><a2>-1.642527699e-01</a2><a3>1.000014200e+01</a3><a4>-6.321420730e-08</a4><a5>1.512811170e-11</a5><a6>-1.843027189e-15</a6><a7>8.951244180e-20</a7><b1>-5.507579620e+04</b1><b2>-6.948045390e+00</b2></T_range></specie><specie inp_file_name="Rb2O"><identification><InChIKey>CWBWCLMMHLCMAM-UHFFFAOYSA-M</InChIKey><canonical_smiles>[OH-].[Rb+].[Rb+]</canonical_smiles><cas_number>18088-11-4</cas_number><IUPAC_name>rubidium(1+);hydroxide</IUPAC_name></identification><comment>Gurvich,1982 pt1 p431 pt2 p455.</comment><reference>tpis82</reference><elements><element Rb="2" /><element O="1" /></elements><condensed>False</condensed><molecular_weight>0.186935</molecular_weight><hf298.15>-108929.421</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.971276138e+04</a1><a2>-4.627508860e+02</a2><a3>8.588293130e+00</a3><a4>-3.085559728e-03</a4><a5>3.451980140e-06</a5><a6>-2.068570368e-09</a6><a7>5.132480500e-13</a7><b1>-1.284854711e+04</b1><b2>-1.264891828e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-3.846360090e+04</a1><a2>-1.082831019e+01</a2><a3>7.008421890e+00</a3><a4>-3.476228120e-06</a4><a5>7.869785060e-10</a5><a6>-9.195683850e-14</a6><a7>4.325201520e-18</a7><b1>-1.525373768e+04</b1><b2>-3.230388780e+00</b2></T_range></specie><specie inp_file_name="Rb2O2"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1982 pt1 p434 pt2 p457.</comment><reference>tpis82</reference><elements><element Rb="2" /><element O="2" /></elements><condensed>False</condensed><molecular_weight>0.20293440000000001</molecular_weight><hf298.15>-215848.468</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>3.260553230e+04</a1><a2>-7.578164720e+02</a2><a3>1.070815124e+01</a3><a4>1.148004329e-03</a4><a5>-3.291243670e-06</a5><a6>2.853106637e-09</a6><a7>-8.721590680e-13</a7><b1>-2.475317258e+04</b1><b2>-2.434276460e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.318567396e+05</a1><a2>-9.647737790e+01</a2><a3>1.007222726e+01</a3><a4>-2.894921706e-05</a4><a5>6.405639100e-09</a5><a6>-7.351419390e-13</a6><a7>3.408561710e-17</a7><b1>-2.882179733e+04</b1><b2>-1.910948823e+01</b2></T_range></specie><specie inp_file_name="Rb2O2H2"><identification><InChIKey>LCGAKHYAWAPBAF-UHFFFAOYSA-N</InChIKey><canonical_smiles>OO.[Rb].[Rb]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>hydrogen peroxide;rubidium</IUPAC_name></identification><comment>Gurvich,1997. .</comment><reference>g 9/97</reference><elements><element Rb="2" /><element O="2" /><element H="2" /></elements><condensed>False</condensed><molecular_weight>0.20495027999999998</molecular_weight><hf298.15>-639000.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-4.577076530e+03</a1><a2>-8.417631000e+02</a2><a3>1.704083828e+01</a3><a4>-5.357882540e-03</a4><a5>3.951778770e-06</a5><a6>-2.051775094e-10</a6><a7>-4.085416910e-13</a7><b1>-7.694982170e+04</b1><b2>-5.435412780e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.792711652e+06</a1><a2>-4.659406600e+03</a2><a3>1.693822422e+01</a3><a4>2.106246492e-04</a4><a5>-1.269617470e-07</a5><a6>2.063382927e-11</a6><a7>-1.150861507e-15</a7><b1>-5.024117630e+04</b1><b2>-6.027054920e+01</b2></T_range></specie><specie inp_file_name="Rb2SO4"><identification><InChIKey>GANPIEKBSASAOC-UHFFFAOYSA-L</InChIKey><canonical_smiles>[O-]S(=O)(=O)[O-].[Rb+].[Rb+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>rubidium(1+);sulfate</IUPAC_name></identification><comment>Gurvich,1982 pt1 p452 pt2 p476.</comment><reference>g10/99</reference><elements><element Rb="2" /><element S="1" /><element O="4" /></elements><condensed>False</condensed><molecular_weight>0.2669982</molecular_weight><hf298.15>-1096592.052</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>6.094854930e+04</a1><a2>-6.889705900e+02</a2><a3>7.034242180e+00</a3><a4>3.933945470e-02</a4><a5>-5.498920510e-05</a5><a6>3.716341080e-08</a6><a7>-9.919863380e-12</a7><b1>-1.311877657e+05</b1><b2>-4.450168488e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-5.302898310e+05</a1><a2>-9.515435450e+02</a2><a3>1.971013517e+01</a3><a4>-2.842916301e-04</a4><a5>6.289142940e-08</a5><a6>-7.219324300e-12</a6><a7>3.348718190e-16</a7><b1>-1.338713151e+05</b1><b2>-7.056246882e+01</b2></T_range></specie><specie inp_file_name="Rn"><identification><InChIKey>SYUHGPGVQRZVTB-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Rn]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>radon</IUPAC_name></identification><comment>Ref-Elm. Moore,1971. Gordon,1999.</comment><reference>g 5/97</reference><elements><element Rn="1" /></elements><condensed>False</condensed><molecular_weight>0.22201759999999998</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>3.389432090e-06</a1><a2>-1.311675533e-07</a2><a3>2.500000001e+00</a3><a4>-2.978593139e-12</a4><a5>4.337050730e-15</a5><a6>-3.182040220e-18</a6><a7>9.247787030e-22</a7><b1>-7.453749990e+02</b1><b2>6.952441980e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>2.730190029e+04</a1><a2>-8.284672620e+01</a2><a3>2.598178483e+00</a3><a4>-5.813729850e-05</a4><a5>1.819136527e-08</a5><a6>-2.866656182e-12</a6><a7>1.789322176e-16</a7><b1>-2.202809340e+02</b1><b2>6.255005710e+00</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>9.180866680e+08</a1><a2>-6.245854600e+05</a2><a3>1.724946531e+02</a3><a4>-2.325758595e-02</a4><a5>1.636222413e-06</a5><a6>-5.369173150e-11</a6><a7>6.507189926e-16</a7><b1>4.883105900e+06</b1><b2>-1.449516146e+03</b2></T_range></specie><specie inp_file_name="Rn+"><identification><InChIKey>SYUHGPGVQRZVTB-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Rn]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>radon</IUPAC_name></identification><comment>Moore,1971. Gordon,1999.</comment><reference>g 1/97</reference><elements><element Rn="1" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.22201705140000003</molecular_weight><hf298.15>1043270.264</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>-9.697148970e-02</a1><a2>1.106742047e-03</a2><a3>2.499994937e+00</a3><a4>1.189388239e-08</a4><a5>-1.515895754e-11</a5><a6>9.958934810e-15</a6><a7>-2.640751817e-18</a7><b1>1.247304760e+05</b1><b2>8.338761700e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.998285319e+04</a1><a2>5.930675660e+01</a2><a3>2.432476003e+00</a3><a4>3.716025920e-05</a4><a5>-1.012057848e-08</a5><a6>1.192256661e-12</a6><a7>-3.184521980e-17</a7><b1>1.243528478e+05</b1><b2>8.821997790e+00</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>-2.408821471e+07</a1><a2>1.571151698e+04</a2><a3>-1.411683762e+00</a3><a4>4.495267600e-04</a4><a5>-2.324033616e-08</a5><a6>5.830243350e-13</a6><a7>-5.821682810e-18</a7><b1>9.187457500e+02</b1><b2>4.233613280e+01</b2></T_range></specie><specie inp_file_name="S"><identification><InChIKey>UCKMPCXJQFINFW-UHFFFAOYSA-N</InChIKey><canonical_smiles>[S-2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>sulfide</IUPAC_name></identification><comment>Hf: Cox,1989 p22. Martin,W.C.,1990. Gordon,1999.</comment><reference>g 5/97</reference><elements><element S="1" /></elements><condensed>False</condensed><molecular_weight>0.032064999999999996</molecular_weight><hf298.15>277170.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-3.174841820e+02</a1><a2>-1.924704923e+02</a2><a3>4.686825930e+00</a3><a4>-5.841365600e-03</a4><a5>7.538533520e-06</a5><a6>-4.863586040e-09</a6><a7>1.256976992e-12</a7><b1>3.323592180e+04</b1><b2>-5.718523969e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-4.854244790e+05</a1><a2>1.438830408e+03</a2><a3>1.258504116e+00</a3><a4>3.797990430e-04</a4><a5>1.630685864e-09</a5><a6>-9.547095850e-12</a6><a7>8.041466646e-16</a7><b1>2.334995270e+04</b1><b2>1.559554855e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>-1.302005414e+08</a1><a2>6.909362020e+04</a2><a3>-1.176228025e+01</a3><a4>1.601540850e-03</a4><a5>-1.050533340e-07</a5><a6>4.341829020e-12</a6><a7>-7.675621927e-17</a7><b1>-5.261485030e+05</b1><b2>1.322195251e+02</b2></T_range></specie><specie inp_file_name="S+"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Martin,W.C.,1990. Gordon,1999.</comment><reference>g 1/98</reference><elements><element S="1" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.032064451400000006</molecular_weight><hf298.15>1282496.428</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.500000000e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>1.535026117e+05</b1><b2>5.436223340e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.346218684e+06</a1><a2>-4.056871510e+03</a2><a3>7.153436550e+00</a3><a4>-2.523562352e-03</a4><a5>6.429539610e-07</a5><a6>-6.431672160e-11</a6><a7>2.141387919e-15</a7><b1>1.792823835e+05</b1><b2>-2.786935079e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>1.542254583e+08</a1><a2>-1.023073546e+05</a2><a3>2.591796942e+01</a3><a4>-2.111469141e-03</a4><a5>9.215571560e-08</a5><a6>-1.964168821e-12</a6><a7>2.096218597e-17</a7><b1>9.622418410e+05</b1><b2>-2.017239957e+02</b2></T_range></specie><specie inp_file_name="S-"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Hotop,1985. Gordon,1999.</comment><reference>g 4/97</reference><elements><element S="1" /><element E="1" /></elements><condensed>False</condensed><molecular_weight>0.0320655486</molecular_weight><hf298.15>70368.505</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>-2.596051473e+03</a1><a2>-1.422398653e+02</a2><a3>4.007825670e+00</a3><a4>-3.608855910e-03</a4><a5>4.236230000e-06</a5><a6>-2.520987604e-09</a6><a7>6.079479760e-13</a7><b1>8.197793070e+03</b1><b2>-2.582377345e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>2.730311692e+03</a1><a2>1.414072078e+02</a2><a3>2.403340775e+00</a3><a4>3.693577530e-05</a4><a5>-7.944080440e-09</a5><a6>8.952208380e-13</a6><a7>-4.099662820e-17</a7><b1>6.931195700e+03</b1><b2>6.574986902e+00</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>-1.223682088e+05</a1><a2>1.203125842e+02</a2><a3>2.473942293e+00</a3><a4>2.935459895e-06</a4><a5>-1.808577869e-10</a5><a6>5.778854260e-15</a6><a7>-7.490337240e-20</a7><b1>6.947841220e+03</b1><b2>6.070579772e+00</b2></T_range></specie><specie inp_file_name="SCl"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Chase,1998 p803.</comment><reference>j 6/78</reference><elements><element S="1" /><element Cl="1" /></elements><condensed>False</condensed><molecular_weight>0.067518</molecular_weight><hf298.15>156465.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.613051454e+04</a1><a2>-5.606249550e+02</a2><a3>8.064931130e+00</a3><a4>-9.186326400e-03</a4><a5>1.224205395e-05</a5><a6>-8.209562020e-09</a6><a7>2.205087197e-12</a7><b1>1.997739280e+04</b1><b2>-1.693354410e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-9.405123450e+04</a1><a2>3.629760850e+02</a2><a3>4.069959360e+00</a3><a4>3.034029742e-04</a4><a5>-8.248301390e-08</a5><a6>1.252700734e-11</a6><a7>-6.417463650e-16</a7><b1>1.523111069e+04</b1><b2>6.014528409e+00</b2></T_range></specie><specie inp_file_name="SCl2"><identification><InChIKey>FWMUJAIKEJWSSY-UHFFFAOYSA-N</InChIKey><canonical_smiles>S(Cl)Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>chloro thiohypochlorite</IUPAC_name></identification><comment>Chase,1998 p856.</comment><reference>j 6/78</reference><elements><element S="1" /><element Cl="2" /></elements><condensed>False</condensed><molecular_weight>0.10297100000000001</molecular_weight><hf298.15>-17573.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>5.792311830e+04</a1><a2>-1.062447681e+03</a2><a3>1.037694738e+01</a3><a4>-6.130229020e-03</a4><a5>6.463486000e-06</a5><a6>-3.679038050e-09</a6><a7>8.731931650e-13</a7><b1>1.262475821e+03</b1><b2>-2.691769492e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.341039963e+05</a1><a2>4.287569580e+02</a2><a3>6.471415390e+00</a3><a4>3.179476740e-04</a4><a5>-9.747483080e-08</a5><a6>1.393318570e-11</a6><a7>-6.394795170e-16</a7><b1>-7.210473700e+03</b1><b2>-2.774273151e+00</b2></T_range></specie><specie inp_file_name="SCl2+"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Chase,1998 p857.</comment><reference>j 6/78</reference><elements><element S="1" /><element Cl="2" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.1029704514</molecular_weight><hf298.15>901383.347</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>4.934876870e+04</a1><a2>-9.601641020e+02</a2><a3>9.884792780e+00</a3><a4>-4.950257170e-03</a4><a5>4.946286970e-06</a5><a6>-2.678720604e-09</a6><a7>6.076844030e-13</a7><b1>1.112812037e+05</b1><b2>-2.342664942e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.339403605e+05</a1><a2>5.516283260e+02</a2><a3>6.125212160e+00</a3><a4>6.771056320e-04</a4><a5>-2.674382769e-07</a5><a6>4.935938880e-11</a6><a7>-2.955831247e-15</a7><b1>1.026787381e+05</b1><b2>1.365611954e-01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>1.159729818e+08</a1><a2>-4.231290230e+04</a2><a3>7.753324790e+00</a3><a4>1.215229138e-03</a4><a5>-1.338847939e-07</a5><a6>5.496166430e-12</a6><a7>-8.098916920e-17</a7><b1>4.756171550e+05</b1><b2>-2.296333258e+01</b2></T_range></specie><specie inp_file_name="SD"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Chase,1998 p1039.</comment><reference>j 6/77</reference><elements><element S="1" /><element D="1" /></elements><condensed>False</condensed><molecular_weight>0.034079102</molecular_weight><hf298.15>138490.892</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-3.295574990e+04</a1><a2>1.647104687e+02</a2><a3>4.978984550e+00</a3><a4>-8.031585710e-03</a4><a5>1.653766397e-05</a5><a6>-1.345197981e-08</a6><a7>4.000431530e-12</a7><b1>1.435862329e+04</b1><b2>-1.997334017e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>2.456732490e+05</a1><a2>-1.180034105e+03</a2><a3>5.284690050e+00</a3><a4>-2.384319882e-04</a4><a5>6.009960290e-08</a5><a6>-7.131163640e-12</a6><a7>4.035858700e-16</a7><b1>2.265545124e+04</b1><b2>-8.350483655e+00</b2></T_range></specie><specie inp_file_name="SF"><identification><InChIKey>AYOGQKFVPLTXLD-UHFFFAOYSA-N</InChIKey><canonical_smiles>F[S-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>thiohypofluorite</IUPAC_name></identification><comment>Gurvich,1989 pt1 p302 pt2 p183.</comment><reference>tpis89</reference><elements><element S="1" /><element F="1" /></elements><condensed>False</condensed><molecular_weight>0.0510634032</molecular_weight><hf298.15>15445.561</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.206456774e+04</a1><a2>-2.910270770e+02</a2><a3>5.480101570e+00</a3><a4>-1.975880235e-03</a4><a5>2.473685990e-06</a5><a6>-1.610904623e-09</a6><a7>4.310038540e-13</a7><b1>1.991337574e+03</b1><b2>-4.544138975e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>7.634580750e+05</a1><a2>-2.423638430e+03</a2><a3>7.352198710e+00</a3><a4>-1.598026079e-03</a4><a5>4.868515020e-07</a5><a6>-6.478000530e-11</a6><a7>2.980297310e-15</a7><b1>1.577461591e+04</b1><b2>-1.902584835e+01</b2></T_range></specie><specie inp_file_name="SF+"><identification><InChIKey>AYOGQKFVPLTXLD-UHFFFAOYSA-N</InChIKey><canonical_smiles>F[S-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>thiohypofluorite</IUPAC_name></identification><comment>Chase,1998 p1091 6/76.</comment><reference>g 1/01</reference><elements><element S="1" /><element F="1" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.0510628546</molecular_weight><hf298.15>994570.218</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>6.578303670e+04</a1><a2>-6.986699970e+02</a2><a3>5.621292240e+00</a3><a4>-6.909274110e-04</a4><a5>-1.282392780e-07</a5><a6>4.021320420e-10</a6><a7>-1.424033453e-13</a7><b1>1.221751247e+05</b1><b2>-6.682377715e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-9.374943900e+05</a1><a2>2.377214240e+03</a2><a3>2.052929113e+00</a3><a4>1.081609837e-03</a4><a5>-1.535468024e-07</a5><a6>8.222691900e-12</a6><a7>3.259746880e-17</a7><b1>1.026849122e+05</b1><b2>1.887705768e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>-4.833080340e+07</a1><a2>3.315103280e+04</a2><a3>-4.246678200e+00</a3><a4>1.269355284e-03</a4><a5>-7.864010490e-08</a5><a6>2.406680266e-12</a6><a7>-2.892795916e-17</a7><b1>-1.419262455e+05</b1><b2>7.611520762e+01</b2></T_range></specie><specie inp_file_name="SF-"><identification><InChIKey>AYOGQKFVPLTXLD-UHFFFAOYSA-N</InChIKey><canonical_smiles>F[S-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>thiohypofluorite</IUPAC_name></identification><comment>Gurvich,1989 pt1 p304 pt2 p184.</comment><reference>tpis89</reference><elements><element S="1" /><element F="1" /><element E="1" /></elements><condensed>False</condensed><molecular_weight>0.0510639518</molecular_weight><hf298.15>-231346.893</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>5.019879280e+04</a1><a2>-5.321549310e+02</a2><a3>4.904849010e+00</a3><a4>9.915307420e-04</a4><a5>-2.270841545e-06</a5><a6>1.844749756e-09</a6><a7>-5.357057200e-13</a7><b1>-2.611388646e+04</b1><b2>-3.637468065e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>2.068923125e+05</a1><a2>-1.324372811e+03</a2><a3>6.646211240e+00</a3><a4>-1.641781588e-03</a4><a5>6.783883120e-07</a5><a6>-1.198331099e-10</a6><a7>7.121739540e-15</a7><b1>-2.150994816e+04</b1><b2>-1.470239183e+01</b2></T_range></specie><specie inp_file_name="SF2"><identification><InChIKey>QTJXVIKNLHZIKL-UHFFFAOYSA-N</InChIKey><canonical_smiles>FSF</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>fluoro thiohypofluorite</IUPAC_name></identification><comment>Gurvich,1989 pt1 p305 pt2 p185.</comment><reference>tpis89</reference><elements><element S="1" /><element F="2" /></elements><condensed>False</condensed><molecular_weight>0.0700618064</molecular_weight><hf298.15>-293188.734</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>6.870871130e+04</a1><a2>-8.432418250e+02</a2><a3>6.269496400e+00</a3><a4>6.484142450e-03</a4><a5>-1.145126533e-05</a5><a6>8.770291560e-09</a6><a7>-2.542611601e-12</a7><b1>-3.229980700e+04</b1><b2>-8.800025780e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.702612287e+05</a1><a2>-1.497038204e+02</a2><a3>7.110934140e+00</a3><a4>-4.407741600e-05</a4><a5>9.682208310e-09</a5><a6>-1.104468959e-12</a6><a7>5.095308780e-17</a7><b1>-3.704289490e+04</b1><b2>-1.095253960e+01</b2></T_range></specie><specie inp_file_name="SF2+"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Chase,1998 p1144 12/76.</comment><reference>g 1/01</reference><elements><element S="1" /><element F="2" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.07006125780000001</molecular_weight><hf298.15>706015.901</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>1.311648923e+05</a1><a2>-1.552127914e+03</a2><a3>9.803424720e+00</a3><a4>-2.488118587e-03</a4><a5>7.501565130e-07</a5><a6>3.135384495e-10</a6><a7>-1.986281446e-13</a7><b1>9.137758390e+04</b1><b2>-2.792300566e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-3.847531020e+05</a1><a2>5.327893020e+02</a2><a3>6.281908900e+00</a3><a4>4.522790120e-04</a4><a5>-1.426421096e-07</a5><a6>2.079708115e-11</a6><a7>-9.691709890e-16</a7><b1>7.884213810e+04</b1><b2>-4.216110530e+00</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>-1.635869714e+08</a1><a2>1.203460697e+05</a2><a3>-2.737707929e+01</a3><a4>4.676205400e-03</a4><a5>-3.035589058e-07</a5><a6>9.547077170e-12</a6><a7>-1.181291324e-16</a7><b1>-8.508449070e+05</b1><b2>2.843901430e+02</b2></T_range></specie><specie inp_file_name="SF2-"><identification><InChIKey>QTJXVIKNLHZIKL-UHFFFAOYSA-N</InChIKey><canonical_smiles>FSF</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>fluoro thiohypofluorite</IUPAC_name></identification><comment>Chase,1998 p1145 12/76.</comment><reference>g 1/01</reference><elements><element S="1" /><element F="2" /><element E="1" /></elements><condensed>False</condensed><molecular_weight>0.07006235499999999</molecular_weight><hf298.15>-394794.960</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>5.284572480e+04</a1><a2>-1.032342905e+03</a2><a3>1.006404631e+01</a3><a4>-5.209503250e-03</a4><a5>5.168381370e-06</a5><a6>-2.783420867e-09</a6><a7>6.286410080e-13</a7><b1>-4.423303780e+04</b1><b2>-2.699266970e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-9.376618950e+04</a1><a2>-3.638995270e+01</a2><a3>7.027942820e+00</a3><a4>-1.142143365e-05</a4><a5>2.566295898e-09</a5><a6>-2.981125977e-13</a6><a7>1.395700722e-17</a7><b1>-4.967050330e+04</b1><b2>-8.483087899e+00</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>-2.168882121e+04</a1><a2>-5.051042570e+01</a2><a3>7.011106220e+00</a3><a4>-1.262936151e-06</a4><a5>7.835542760e-11</a5><a6>-2.517641418e-15</a6><a7>3.278401810e-20</a7><b1>-4.951246860e+04</b1><b2>-8.370909449e+00</b2></T_range></specie><specie inp_file_name="SF3"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1989 pt1 p306 pt2 p186.</comment><reference>tpis89</reference><elements><element S="1" /><element F="3" /></elements><condensed>False</condensed><molecular_weight>0.0890602096</molecular_weight><hf298.15>-504101.395</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.284008253e+05</a1><a2>-2.084871223e+03</a2><a3>1.423421102e+01</a3><a4>-4.015032190e-03</a4><a5>9.152258040e-07</a5><a6>1.109809721e-09</a6><a7>-5.988602720e-13</a7><b1>-5.239517340e+04</b1><b2>-5.187194724e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.411283460e+05</a1><a2>-1.418950375e+02</a2><a3>1.010590548e+01</a3><a4>-4.231526910e-05</a4><a5>9.336120600e-09</a5><a6>-1.068727665e-12</a6><a7>4.944342600e-17</a7><b1>-6.358445860e+04</b1><b2>-2.489561796e+01</b2></T_range></specie><specie inp_file_name="SF3+"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Chase,1998 p1170.</comment><reference>j12/76</reference><elements><element S="1" /><element F="3" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.08905966100000001</molecular_weight><hf298.15>393583.476</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>2.157633857e+05</a1><a2>-2.564488498e+03</a2><a3>1.323216044e+01</a3><a4>-1.749580869e-04</a4><a5>-3.712958710e-06</a5><a6>3.580688420e-09</a6><a7>-1.084376153e-12</a7><b1>5.876088420e+04</b1><b2>-5.024130184e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-3.778260750e+05</a1><a2>-1.621770252e+02</a2><a3>9.960265970e+00</a3><a4>1.237729568e-04</a4><a5>-6.442207890e-08</a5><a6>1.300856025e-11</a6><a7>-7.915106980e-16</a7><b1>4.415426810e+04</b1><b2>-2.673900770e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>8.358347800e+06</a1><a2>2.002176210e+03</a2><a3>7.115714750e+00</a3><a4>6.563028420e-04</a4><a5>-5.120344380e-08</a5><a6>1.781530495e-12</a6><a7>-2.365386482e-17</a7><b1>3.575488850e+04</b1><b2>-4.384285323e+00</b2></T_range></specie><specie inp_file_name="SF3-"><identification><InChIKey>CVAWJXNMZZBMQP-UHFFFAOYSA-N</InChIKey><canonical_smiles>F[S+](F)F</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>trifluorosulfanium</IUPAC_name></identification><comment>Gurvich,1989 pt1 p307 pt2 p187.</comment><reference>tpis89</reference><elements><element S="1" /><element F="3" /><element E="1" /></elements><condensed>False</condensed><molecular_weight>0.08906075819999999</molecular_weight><hf298.15>-790124.207</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>1.546500675e+05</a1><a2>-2.469768526e+03</a2><a3>1.657548496e+01</a3><a4>-1.020137434e-02</a4><a5>9.368008460e-06</a5><a6>-4.725672600e-09</a6><a7>1.009661431e-12</a7><b1>-8.500157900e+04</b1><b2>-6.532166474e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.253860964e+05</a1><a2>-1.308890242e+02</a2><a3>1.009972380e+01</a3><a4>-4.052345530e-05</a4><a5>9.064565220e-09</a5><a6>-1.049320641e-12</a6><a7>4.899201260e-17</a7><b1>-9.800227200e+04</b1><b2>-2.524368023e+01</b2></T_range></specie><specie inp_file_name="SF4"><identification><InChIKey>QHMQWEPBXSHHLH-UHFFFAOYSA-N</InChIKey><canonical_smiles>FS(F)(F)F</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>tetrafluoro-$l^{4}-sulfane</IUPAC_name></identification><comment>Gurvich,1989 pt1 p307 pt2 p188.</comment><reference>tpis89</reference><elements><element S="1" /><element F="4" /></elements><condensed>False</condensed><molecular_weight>0.10805861280000001</molecular_weight><hf298.15>-760000.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.636183265e+05</a1><a2>-2.531316261e+03</a2><a3>1.559106568e+01</a3><a4>3.326704310e-03</a4><a5>-1.054935525e-05</a5><a6>9.391363050e-09</a6><a7>-2.914816694e-12</a7><b1>-8.115558920e+04</b1><b2>-6.131532958e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-3.777125160e+05</a1><a2>-2.937595659e+02</a2><a3>1.321902007e+01</a3><a4>-8.747669450e-05</a4><a5>1.929905265e-08</a5><a6>-2.209423506e-12</a6><a7>1.022335559e-16</a7><b1>-9.483175340e+04</b1><b2>-4.243061278e+01</b2></T_range></specie><specie inp_file_name="SF4+"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Chase,1998 p1188.</comment><reference>j12/76</reference><elements><element S="1" /><element F="4" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.1080580642</molecular_weight><hf298.15>416111.962</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>2.309587324e+05</a1><a2>-3.383777670e+03</a2><a3>2.101756367e+01</a3><a4>-1.106529555e-02</a4><a5>9.038097280e-06</a5><a6>-4.055912640e-09</a6><a7>7.712575180e-13</a7><b1>6.425375150e+04</b1><b2>-8.938224908e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-4.189172750e+05</a1><a2>4.002889640e+01</a2><a3>1.283873264e+01</a3><a4>1.340235036e-04</a4><a5>-4.818135180e-08</a5><a6>7.574595960e-12</a6><a7>-3.696670780e-16</a7><b1>4.469944230e+04</b1><b2>-3.760378598e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>-3.761690270e+07</a1><a2>2.881726011e+04</a2><a3>4.470948840e+00</a3><a4>1.170801362e-03</a4><a5>-7.325658000e-08</a5><a6>2.214151827e-12</a6><a7>-2.649348632e-17</a7><b1>-1.772949712e+05</b1><b2>3.397688982e+01</b2></T_range></specie><specie inp_file_name="SF4-"><identification><InChIKey>QHMQWEPBXSHHLH-UHFFFAOYSA-N</InChIKey><canonical_smiles>FS(F)(F)F</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>tetrafluoro-$l^{4}-sulfane</IUPAC_name></identification><comment>Chase,1998 p1189.</comment><reference>j12/76</reference><elements><element S="1" /><element F="4" /><element E="1" /></elements><condensed>False</condensed><molecular_weight>0.10805916139999999</molecular_weight><hf298.15>-887464.320</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>1.005523355e+05</a1><a2>-2.267351994e+03</a2><a3>1.979284560e+01</a3><a4>-1.163761842e-02</a4><a5>1.161792139e-05</a5><a6>-6.288895470e-09</a6><a7>1.426371272e-12</a7><b1>-9.895597430e+04</b1><b2>-7.916366078e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>3.208822080e+05</a1><a2>-1.710416599e+03</a2><a3>1.494425485e+01</a3><a4>-1.057207329e-03</a4><a5>2.742846920e-07</a5><a6>-2.905761211e-11</a6><a7>1.084482543e-15</a7><b1>-1.005231225e+05</b1><b2>-5.164256578e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>5.436095670e+07</a1><a2>-3.546125020e+04</a2><a3>2.105391090e+01</a3><a4>-7.366819310e-04</a4><a5>3.537247530e-08</a5><a6>-8.825254090e-13</a6><a7>9.049180280e-18</a7><b1>1.694175033e+05</b1><b2>-1.089710894e+02</b2></T_range></specie><specie inp_file_name="SF5"><identification><InChIKey>HAQZDUWRNKKMQY-UHFFFAOYSA-N</InChIKey><canonical_smiles>F[S](F)(F)(F)F</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1989 pt1 p308 pt2 p189.</comment><reference>tpis89</reference><elements><element S="1" /><element F="5" /></elements><condensed>False</condensed><molecular_weight>0.127057016</molecular_weight><hf298.15>-902663.287</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>2.224176850e+05</a1><a2>-4.043991750e+03</a2><a3>2.707196786e+01</a3><a4>-1.744176604e-02</a4><a5>1.604198715e-05</a5><a6>-7.997243020e-09</a6><a7>1.667968061e-12</a7><b1>-9.220078270e+04</b1><b2>-1.232426279e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-3.892426370e+05</a1><a2>-1.825826536e+02</a2><a3>1.613765057e+01</a3><a4>-5.544834230e-05</a4><a5>1.231433706e-08</a5><a6>-1.417173409e-12</a6><a7>6.584889400e-17</a7><b1>-1.135671054e+05</b1><b2>-5.577524201e+01</b2></T_range></specie><specie inp_file_name="SF5+"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Chase,1998 p1200.</comment><reference>j12/77</reference><elements><element S="1" /><element F="5" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.1270564674</molecular_weight><hf298.15>172644.006</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>3.777135620e+05</a1><a2>-5.646075120e+03</a2><a3>3.049404270e+01</a3><a4>-2.176488368e-02</a4><a5>1.941993792e-05</a5><a6>-9.556201140e-09</a6><a7>2.000077302e-12</a7><b1>4.592204810e+04</b1><b2>-1.489889627e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-9.814342320e+05</a1><a2>7.208817390e+02</a2><a3>1.564386818e+01</a3><a4>-2.452519972e-04</a4><a5>2.241690996e-07</a5><a6>-3.990035890e-11</a6><a7>2.279087545e-15</a7><b1>9.090953190e+03</b1><b2>-5.531460631e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>9.063623020e+06</a1><a2>-8.079630910e+03</a2><a3>1.805068495e+01</a3><a4>-2.624346278e-05</a4><a5>-4.739171840e-09</a5><a6>2.144486076e-13</a6><a7>-2.737984333e-18</a7><b1>7.597515770e+04</b1><b2>-7.692263871e+01</b2></T_range></specie><specie inp_file_name="SF5-"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1989 pt1 p309 pt2 p190.</comment><reference>tpis89</reference><elements><element S="1" /><element F="5" /><element E="1" /></elements><condensed>False</condensed><molecular_weight>0.1270575646</molecular_weight><hf298.15>-1204622.287</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>2.095031134e+05</a1><a2>-3.930081140e+03</a2><a3>2.702127215e+01</a3><a4>-1.792973203e-02</a4><a5>1.718122152e-05</a5><a6>-9.000560190e-09</a6><a7>1.988018147e-12</a7><b1>-1.291816581e+05</b1><b2>-1.231672857e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-3.733219200e+05</a1><a2>-1.793729521e+02</a2><a3>1.613699748e+01</a3><a4>-5.577539970e-05</a4><a5>1.249477046e-08</a5><a6>-1.448104799e-12</a6><a7>6.767462300e-17</a7><b1>-1.498554401e+05</b1><b2>-5.631439391e+01</b2></T_range></specie><specie inp_file_name="SF6"><identification><InChIKey>SFZCNBIFKDRMGX-UHFFFAOYSA-N</InChIKey><canonical_smiles>FS(F)(F)(F)(F)F</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>hexafluoro-$l^{6}-sulfane</IUPAC_name></identification><comment>Gurvich,1989 pt1 p311 pt2 p191.</comment><reference>tpis89</reference><elements><element S="1" /><element F="6" /></elements><condensed>False</condensed><molecular_weight>0.14605541919999998</molecular_weight><hf298.15>-1219400.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>3.309526740e+05</a1><a2>-4.737685050e+03</a2><a3>2.247738068e+01</a3><a4>1.046954309e-02</a4><a5>-2.560641961e-05</a5><a6>2.153716967e-08</a6><a7>-6.516098960e-12</a7><b1>-1.255360583e+05</b1><b2>-1.091760145e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-7.306726500e+05</a1><a2>-6.367056550e+02</a2><a3>1.947442853e+01</a3><a4>-1.894325671e-04</a4><a5>4.178722830e-08</a5><a6>-4.783744950e-12</a6><a7>2.213516129e-16</a7><b1>-1.510609837e+05</b1><b2>-8.147574587e+01</b2></T_range></specie><specie inp_file_name="SF6-"><identification><InChIKey>SFZCNBIFKDRMGX-UHFFFAOYSA-N</InChIKey><canonical_smiles>FS(F)(F)(F)(F)F</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>hexafluoro-$l^{6}-sulfane</IUPAC_name></identification><comment>Chase,1998 p1206.</comment><reference>j 6/77</reference><elements><element S="1" /><element F="6" /><element E="1" /></elements><condensed>False</condensed><molecular_weight>0.1460559678</molecular_weight><hf298.15>-1341876.033</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>4.985809210e+05</a1><a2>-6.934445740e+03</a2><a3>3.441318330e+01</a3><a4>-1.984032360e-02</a4><a5>1.497871222e-05</a5><a6>-6.133234650e-09</a6><a7>1.045159581e-12</a7><b1>-1.297069066e+05</b1><b2>-1.747984495e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-6.818073510e+05</a1><a2>-5.947429960e+02</a2><a3>1.945009842e+01</a3><a4>-1.820212649e-04</a4><a5>4.057079570e-08</a5><a6>-4.683820930e-12</a6><a7>2.182263999e-16</a7><b1>-1.658902452e+05</b1><b2>-7.965845887e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>1.777074958e+05</a1><a2>-6.533730340e+02</a2><a3>1.914322537e+01</a3><a4>-1.624883879e-05</a4><a5>1.006454127e-09</a5><a6>-3.230395820e-14</a6><a7>4.203897370e-19</a7><b1>-1.646993323e+05</b1><b2>-7.753346267e+01</b2></T_range></specie><specie inp_file_name="SH"><identification><InChIKey>RWSOTUBLDIXVET-UHFFFAOYSA-M</InChIKey><canonical_smiles>[SH-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>sulfanide</IUPAC_name></identification><comment>D0:Continetti,1991. Gurvich,1989 pt1 p296 pt2 p179.</comment><reference>g10/01</reference><elements><element S="1" /><element H="1" /></elements><condensed>False</condensed><molecular_weight>0.03307294</molecular_weight><hf298.15>142135.309</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>6.389434680e+03</a1><a2>-3.747960920e+02</a2><a3>7.548145770e+00</a3><a4>-1.288875477e-02</a4><a5>1.907786343e-05</a5><a6>-1.265033728e-08</a6><a7>3.235158690e-12</a7><b1>1.742902395e+04</b1><b2>-1.760761843e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.682631601e+06</a1><a2>-5.177152210e+03</a2><a3>9.198168520e+00</a3><a4>-2.323550224e-03</a4><a5>6.543914780e-07</a5><a6>-8.468470420e-11</a6><a7>3.864741550e-15</a7><b1>4.899214490e+04</b1><b2>-3.770400275e+01</b2></T_range></specie><specie inp_file_name="SH-"><identification><InChIKey>RWSOTUBLDIXVET-UHFFFAOYSA-M</InChIKey><canonical_smiles>[SH-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>sulfanide</IUPAC_name></identification><comment>Gurvich,1989 pt1 p297 pt2 p180.</comment><reference>g10/01</reference><elements><element S="1" /><element H="1" /><element E="1" /></elements><condensed>False</condensed><molecular_weight>0.0330734886</molecular_weight><hf298.15>-86574.096</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>3.878070760e+04</a1><a2>-5.742590600e+02</a2><a3>6.898544460e+00</a3><a4>-1.001352412e-02</a4><a5>1.486460572e-05</a5><a6>-9.750368900e-09</a6><a7>2.446909813e-12</a7><b1>-8.735388980e+03</b1><b2>-1.615966489e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.198715402e+06</a1><a2>-3.894846820e+03</a2><a3>7.660422330e+00</a3><a4>-1.355237590e-03</a4><a5>3.342370240e-07</a5><a6>-3.350722310e-11</a6><a7>9.055084780e-16</a7><b1>1.317477387e+04</b1><b2>-2.818370616e+01</b2></T_range></specie><specie inp_file_name="SN"><identification><InChIKey>OAXQFEMDGLNGOT-UHFFFAOYSA-N</InChIKey><canonical_smiles>[N-]=S</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>sulfanylideneazanide</IUPAC_name></identification><comment>Gurvich,1989 pt1 p392 pt2 p252.</comment><reference>tpis89</reference><elements><element S="1" /><element N="1" /></elements><condensed>False</condensed><molecular_weight>0.0460717</molecular_weight><hf298.15>267388.313</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-6.835412350e+04</a1><a2>1.147567483e+03</a2><a3>-2.877802574e+00</a3><a4>1.724864320e-02</a4><a5>-2.058999904e-05</a5><a6>1.261369640e-08</a6><a7>-3.139030141e-12</a7><b1>2.564143612e+04</b1><b2>4.224006964e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-4.837284460e+05</a1><a2>1.058075590e+03</a2><a3>3.086198804e+00</a3><a4>9.111360780e-04</a4><a5>-2.764061722e-07</a5><a6>4.157370110e-11</a6><a7>-2.128351755e-15</a7><b1>2.379345477e+04</b1><b2>1.033222139e+01</b2></T_range></specie><specie inp_file_name="SO"><identification><InChIKey>XTQHKBHJIVJGKJ-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=S</canonical_smiles><cas_number>13827-32-2</cas_number><IUPAC_name>sulfur monoxide</IUPAC_name></identification><comment>Gurvich,1989 pt1 p286 pt2 p173.</comment><reference>tpis89</reference><elements><element S="1" /><element O="1" /></elements><condensed>False</condensed><molecular_weight>0.0480644</molecular_weight><hf298.15>4760.306</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-3.342757000e+04</a1><a2>6.403862500e+02</a2><a3>-1.006641228e+00</a3><a4>1.381512705e-02</a4><a5>-1.704486364e-05</a5><a6>1.061294930e-08</a6><a7>-2.645796205e-12</a7><b1>-3.371292190e+03</b1><b2>3.093861963e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.443410557e+06</a1><a2>4.113874360e+03</a2><a3>-5.383695780e-01</a3><a4>2.794153269e-03</a4><a5>-6.633352260e-07</a5><a6>7.838221190e-11</a6><a7>-3.560509070e-15</a7><b1>-2.708838059e+04</b1><b2>3.615358329e+01</b2></T_range></specie><specie inp_file_name="SO-"><identification><InChIKey>XTQHKBHJIVJGKJ-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=S</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>sulfur monoxide</IUPAC_name></identification><comment>Gurvich,1989 pt1 p288 pt2 p174.</comment><reference>tpis89</reference><elements><element S="1" /><element O="1" /><element E="1" /></elements><condensed>False</condensed><molecular_weight>0.048064948600000004</molecular_weight><hf298.15>-105968.086</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>8.420196970e+03</a1><a2>-6.916586680e+01</a2><a3>3.837666610e+00</a3><a4>2.166482062e-03</a4><a5>-2.811222562e-06</a5><a6>1.793426453e-09</a6><a7>-4.521795950e-13</a7><b1>-1.354162531e+04</b1><b2>4.316141603e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.767156147e+05</a1><a2>-6.633987360e+02</a2><a3>5.177279810e+00</a3><a4>-2.853461125e-04</a4><a5>7.214421530e-08</a5><a6>-3.676469490e-12</a6><a7>-2.910092894e-16</a7><b1>-9.984438010e+03</b1><b2>-3.951456757e+00</b2></T_range></specie><specie inp_file_name="SOF2"><identification><InChIKey>LSJNBGSOIVSBBR-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=S(F)F</canonical_smiles><cas_number>7783-42-8</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1989 pt1 p312 pt2 p192.</comment><reference>tpis89</reference><elements><element S="1" /><element O="1" /><element F="2" /></elements><condensed>False</condensed><molecular_weight>0.0860612064</molecular_weight><hf298.15>-584952.313</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>6.114579650e+04</a1><a2>-9.081119670e+02</a2><a3>6.883623260e+00</a3><a4>1.192459695e-02</a4><a5>-1.671006410e-05</a5><a6>1.110723646e-08</a6><a7>-2.910788226e-12</a7><b1>-6.742935840e+04</b1><b2>-1.125458745e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.510555779e+05</a1><a2>-6.074439610e+02</a2><a3>1.045046709e+01</a3><a4>-1.796384979e-04</a4><a5>3.964169730e-08</a5><a6>-4.543055240e-12</a6><a7>2.104969923e-16</a7><b1>-7.072071710e+04</b1><b2>-2.904334504e+01</b2></T_range></specie><specie inp_file_name="SO2"><identification><InChIKey>RAHZWNYVWXNFOC-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=S=O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>sulfur dioxide</IUPAC_name></identification><comment>Gurvich,1989 pt1 p288 pt2 p175.</comment><reference>tpis89</reference><elements><element S="1" /><element O="2" /></elements><condensed>False</condensed><molecular_weight>0.0640638</molecular_weight><hf298.15>-296810.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-5.310842140e+04</a1><a2>9.090311670e+02</a2><a3>-2.356891244e+00</a3><a4>2.204449885e-02</a4><a5>-2.510781471e-05</a5><a6>1.446300484e-08</a6><a7>-3.369070940e-12</a7><b1>-4.113752080e+04</b1><b2>4.045512519e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.127640116e+05</a1><a2>-8.252261380e+02</a2><a3>7.616178630e+00</a3><a4>-1.999327610e-04</a4><a5>5.655631430e-08</a5><a6>-5.454316610e-12</a6><a7>2.918294102e-16</a7><b1>-3.351308690e+04</b1><b2>-1.655776085e+01</b2></T_range></specie><specie inp_file_name="SO2-"><identification><InChIKey>RAHZWNYVWXNFOC-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=S=O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>sulfur dioxide</IUPAC_name></identification><comment>Gurvich,1989 pt1 p290 pt2 p176.</comment><reference>tpis89</reference><elements><element S="1" /><element O="2" /><element E="1" /></elements><condensed>False</condensed><molecular_weight>0.0640643486</molecular_weight><hf298.15>-408606.069</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>9.460901660e+04</a1><a2>-8.562691050e+02</a2><a3>5.360074220e+00</a3><a4>7.609576740e-03</a4><a5>-1.092005659e-05</a5><a6>7.202547730e-09</a6><a7>-1.850138220e-12</a7><b1>-4.580094810e+04</b1><b2>-3.929956604e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.793400005e+05</a1><a2>-3.663168760e+02</a2><a3>7.274441050e+00</a3><a4>-1.101944663e-04</a4><a5>2.443328132e-08</a5><a6>-2.809735019e-12</a6><a7>1.305160431e-16</a7><b1>-4.973072610e+04</b1><b2>-1.261421156e+01</b2></T_range></specie><specie inp_file_name="SO2Cl2"><identification><InChIKey>YBBRCQOCSYXUOC-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=S(=O)(Cl)Cl</canonical_smiles><cas_number>7791-25-5</cas_number><IUPAC_name>sulfuryl dichloride</IUPAC_name></identification><comment>Chase,1998 p847.</comment><reference>j 6/71</reference><elements><element S="1" /><element O="2" /><element Cl="2" /></elements><condensed>False</condensed><molecular_weight>0.1349698</molecular_weight><hf298.15>-354803.200</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>6.821592390e+03</a1><a2>-5.849569200e+02</a2><a3>8.596756910e+00</a3><a4>1.197228675e-02</a4><a5>-1.333760700e-05</a5><a6>7.126129000e-09</a6><a7>-1.496150016e-12</a7><b1>-4.230783810e+04</b1><b2>-1.652458363e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.376639109e+05</a1><a2>-9.647740410e+02</a2><a3>1.371469904e+01</a3><a4>-2.850327057e-04</a4><a5>6.293509620e-08</a5><a6>-7.217844260e-12</a6><a7>3.346840220e-16</a7><b1>-4.190072990e+04</b1><b2>-4.481942575e+01</b2></T_range></specie><specie inp_file_name="SO2FCl"><identification><InChIKey>IXPAAHZTOUOJJM-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=S(=O)(F)Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>sulfuryl chloride fluoride</IUPAC_name></identification><comment>Chase,1998 p754.</comment><reference>j 6/71</reference><elements><element S="1" /><element O="2" /><element F="1" /><element Cl="1" /></elements><condensed>False</condensed><molecular_weight>0.1185152032</molecular_weight><hf298.15>-556472.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>3.684561300e+04</a1><a2>-8.038358950e+02</a2><a3>7.526186880e+00</a3><a4>1.620141782e-02</a4><a5>-1.970595270e-05</a5><a6>1.166250330e-08</a6><a7>-2.759241465e-12</a7><b1>-6.503598190e+04</b1><b2>-1.299745646e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.915402438e+05</a1><a2>-1.107134423e+03</a2><a3>1.381845158e+01</a3><a4>-3.258514460e-04</a4><a5>7.184741000e-08</a5><a6>-8.230625200e-12</a6><a7>3.812925620e-16</a7><b1>-6.552472690e+04</b1><b2>-4.709166446e+01</b2></T_range></specie><specie inp_file_name="SO2F2"><identification><InChIKey>OBTWBSRJZRCYQV-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=S(=O)(F)F</canonical_smiles><cas_number>2699-79-8</cas_number><IUPAC_name>sulfuryl difluoride</IUPAC_name></identification><comment>Gurvich,1989 pt1 p313 pt2 p193.</comment><reference>tpis89</reference><elements><element S="1" /><element O="2" /><element F="2" /></elements><condensed>False</condensed><molecular_weight>0.1020606064</molecular_weight><hf298.15>-760000.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>5.533153530e+04</a1><a2>-8.074639680e+02</a2><a3>5.287172160e+00</a3><a4>2.294547775e-02</a4><a5>-2.891025299e-05</a5><a6>1.785631907e-08</a6><a7>-4.418919500e-12</a7><b1>-8.899428820e+04</b1><b2>-4.124256607e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-3.403904450e+05</a1><a2>-1.309288764e+03</a2><a3>1.396601541e+01</a3><a4>-3.840088150e-04</a4><a5>8.456688780e-08</a5><a6>-9.678246870e-12</a6><a7>4.480014280e-16</a7><b1>-8.901994140e+04</b1><b2>-5.109270050e+01</b2></T_range></specie><specie inp_file_name="SO3"><identification><InChIKey>AKEJUJNQAAGONA-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=S(=O)=O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>sulfur trioxide</IUPAC_name></identification><comment>Gurvich,1989 pt1 p292 pt2 p177.</comment><reference>tpis89</reference><elements><element S="1" /><element O="3" /></elements><condensed>False</condensed><molecular_weight>0.0800632</molecular_weight><hf298.15>-395900.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-3.952855290e+04</a1><a2>6.208572570e+02</a2><a3>-1.437731716e+00</a3><a4>2.764126467e-02</a4><a5>-3.144958662e-05</a5><a6>1.792798000e-08</a6><a7>-4.126386660e-12</a7><b1>-5.184106170e+04</b1><b2>3.391331216e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.166923781e+05</a1><a2>-1.301022399e+03</a2><a3>1.096287985e+01</a3><a4>-3.837100020e-04</a4><a5>8.466889040e-08</a5><a6>-9.705399290e-12</a6><a7>4.498397540e-16</a7><b1>-4.398283990e+04</b1><b2>-3.655217314e+01</b2></T_range></specie><specie inp_file_name="S2"><identification><InChIKey>MAHNFPMIPQKPPI-UHFFFAOYSA-N</InChIKey><canonical_smiles>S=S</canonical_smiles><cas_number>23550-45-0</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1989 pt1 p270 pt2 p165.</comment><reference>tpis89</reference><elements><element S="2" /></elements><condensed>False</condensed><molecular_weight>0.06412999999999999</molecular_weight><hf298.15>128600.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>3.528091780e+04</a1><a2>-4.222156580e+02</a2><a3>4.677433490e+00</a3><a4>1.724046361e-03</a4><a5>-3.862208210e-06</a5><a6>3.336156340e-09</a6><a7>-9.930661540e-13</a7><b1>1.654767715e+04</b1><b2>-7.957279032e-01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.588128788e+04</a1><a2>6.315480880e+02</a2><a3>2.449628069e+00</a3><a4>1.986240565e-03</a4><a5>-6.507927240e-07</a5><a6>1.002813651e-10</a6><a7>-5.596990050e-15</a7><b1>1.085508427e+04</b1><b2>1.458544515e+01</b2></T_range></specie><specie inp_file_name="S2-"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1989 pt1 p274 pt2 p166.</comment><reference>tpis89</reference><elements><element S="2" /><element E="1" /></elements><condensed>False</condensed><molecular_weight>0.0641305486</molecular_weight><hf298.15>-37132.385</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>1.025558251e+04</a1><a2>-6.166128250e+02</a2><a3>8.182052840e+00</a3><a4>-8.311203580e-03</a4><a5>9.720274160e-06</a5><a6>-5.775476780e-09</a6><a7>1.393690695e-12</a7><b1>-3.063559874e+03</b1><b2>-1.906068041e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>4.830204030e+05</a1><a2>-1.319171302e+03</a2><a3>6.031778480e+00</a3><a4>-7.965560690e-04</a4><a5>2.282241690e-07</a5><a6>-2.504364698e-11</a6><a7>7.280550780e-16</a7><b1>2.660258490e+03</b1><b2>-9.010480319e+00</b2></T_range></specie><specie inp_file_name="S2Cl2"><identification><InChIKey>PXJJSXABGXMUSU-UHFFFAOYSA-N</InChIKey><canonical_smiles>S(SCl)Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>chlorosulfanyl thiohypochlorite</IUPAC_name></identification><comment>Chase,1998 p859 6/78.</comment><reference>g12/00</reference><elements><element S="2" /><element Cl="2" /></elements><condensed>False</condensed><molecular_weight>0.135036</molecular_weight><hf298.15>-16736.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>7.974974740e+04</a1><a2>-1.636770024e+03</a2><a3>1.583744686e+01</a3><a4>-1.186906072e-02</a4><a5>1.413008027e-05</a5><a6>-8.484903930e-09</a6><a7>1.981743887e-12</a7><b1>3.276872420e+03</b1><b2>-5.293745205e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>6.328816000e+05</a1><a2>-3.442705800e+03</a2><a3>1.519637350e+01</a3><a4>-2.960877176e-03</a4><a5>6.888284370e-07</a5><a6>-7.990692530e-11</a6><a7>3.692466060e-15</a7><b1>1.526672656e+04</b1><b2>-5.453315445e+01</b2></T_range></specie><specie inp_file_name="S2F2"><identification><InChIKey>DKDSFVCSLPKNPV-UHFFFAOYSA-N</InChIKey><canonical_smiles>FSSF</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>fluorosulfanyl thiohypofluorite</IUPAC_name></identification><comment>Thiothionyl fluoride. Chase,1998 p1147.</comment><reference>j 6/76</reference><elements><element S="2" /><element F="2" /></elements><condensed>False</condensed><molecular_weight>0.1021268064</molecular_weight><hf298.15>-401413.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.252904041e+05</a1><a2>-1.941243874e+03</a2><a3>1.325382183e+01</a3><a4>-1.341525124e-03</a4><a5>-2.772465632e-06</a5><a6>3.658169290e-09</a6><a7>-1.299531209e-12</a7><b1>-4.067208250e+04</b1><b2>-4.560828617e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.591757719e+05</a1><a2>-1.059653069e+02</a2><a3>1.006588551e+01</a3><a4>-2.274618148e-05</a4><a5>5.412343140e-09</a5><a6>-9.911387140e-13</a6><a7>9.621861440e-17</a7><b1>-5.147675180e+04</b1><b2>-2.375666140e+01</b2></T_range></specie><specie inp_file_name="S2O"><identification><InChIKey>TXKMVPPZCYKFAC-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=S=S</canonical_smiles><cas_number>20901-21-7</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1989 pt1 p293 pt2 p178.</comment><reference>tpis89</reference><elements><element S="2" /><element O="1" /></elements><condensed>False</condensed><molecular_weight>0.0801294</molecular_weight><hf298.15>-56035.495</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.092703310e+04</a1><a2>-9.523099870e+01</a2><a3>3.144525430e+00</a3><a4>1.176854200e-02</a4><a5>-1.580266840e-05</a5><a6>1.037645040e-08</a6><a7>-2.708622260e-12</a7><b1>-7.500471900e+03</b1><b2>1.104169896e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.442139790e+05</a1><a2>-3.276430130e+02</a2><a3>7.244286110e+00</a3><a4>-9.776538300e-05</a4><a5>2.162712700e-08</a5><a6>-2.482782220e-12</a6><a7>1.151778750e-16</a7><b1>-7.438553930e+03</b1><b2>-1.085180744e+01</b2></T_range></specie><specie inp_file_name="S3"><identification><InChIKey>NVSDADJBGGUCLP-UHFFFAOYSA-N</InChIKey><canonical_smiles>S=S=S</canonical_smiles><cas_number>12597-03-4</cas_number><IUPAC_name>bis(sulfanylidene)-$l^{4}-sulfane</IUPAC_name></identification><comment>Gurvich,1989 pt1 p275 pt2 p167.</comment><reference>tpis89</reference><elements><element S="3" /></elements><condensed>False</condensed><molecular_weight>0.09619499999999999</molecular_weight><hf298.15>144738.328</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>7.245395740e+04</a1><a2>-1.162146759e+03</a2><a3>9.955413680e+00</a3><a4>-4.158026220e-03</a4><a5>3.241778390e-06</a5><a6>-1.264648239e-09</a6><a7>1.777450535e-13</a7><b1>2.146275475e+04</b1><b2>-2.587525865e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.117805401e+05</a1><a2>-5.197908390e+01</a2><a3>7.038760840e+00</a3><a4>-1.546804022e-05</a4><a5>3.408340410e-09</a5><a6>-3.896862360e-13</a6><a7>1.800860389e-17</a7><b1>1.525406485e+04</b1><b2>-7.610045099e+00</b2></T_range></specie><specie inp_file_name="S4"><identification><InChIKey>IOOGPFMMGKCAGU-UHFFFAOYSA-N</InChIKey><canonical_smiles>S=S=S=S</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>sulfanylidene-(sulfanylidene-$l^{4}-sulfanylidene)-$l^{4}-sulfane</IUPAC_name></identification><comment>Gurvich,1989 pt1 p280 pt2 p168.</comment><reference>tpis89</reference><elements><element S="4" /></elements><condensed>False</condensed><molecular_weight>0.12825999999999999</molecular_weight><hf298.15>135632.333</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.198664135e+05</a1><a2>-2.040786521e+03</a2><a3>1.510235054e+01</a3><a4>-7.041104300e-03</a4><a5>5.350405000e-06</a5><a6>-2.002348038e-09</a6><a7>2.569940995e-13</a7><b1>2.410909409e+04</b1><b2>-5.503153238e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.068333537e+05</a1><a2>-9.696151430e+01</a2><a3>1.007243210e+01</a3><a4>-2.895047053e-05</a4><a5>6.387806190e-09</a5><a6>-7.311767430e-13</a6><a7>3.382265290e-17</a7><b1>1.321109530e+04</b1><b2>-2.344872237e+01</b2></T_range></specie><specie inp_file_name="S5"><identification><InChIKey>AZUVMOFJSNXGLH-UHFFFAOYSA-N</InChIKey><canonical_smiles>S=S=S=S=S</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>bis(sulfanylidene-$l^{4}-sulfanylidene)-$l^{4}-sulfane</IUPAC_name></identification><comment>Gurvich,1989 pt1 p281 pt2 p169.</comment><reference>tpis89</reference><elements><element S="5" /></elements><condensed>False</condensed><molecular_weight>0.160325</molecular_weight><hf298.15>132993.354</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.361370439e+05</a1><a2>-2.955476536e+03</a2><a3>2.633358816e+01</a3><a4>-4.125806530e-02</a4><a5>7.056814030e-05</a5><a6>-5.611095330e-08</a6><a7>1.659457200e-11</a7><b1>2.675307046e+04</b1><b2>-1.069711067e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-4.038495160e+06</a1><a2>8.601803880e+03</a2><a3>7.443780900e+00</a3><a4>1.533393812e-03</a4><a5>-2.532718676e-07</a5><a6>2.145210795e-11</a6><a7>-7.213102680e-16</a7><b1>-4.686925420e+04</b1><b2>1.104229196e+01</b2></T_range></specie><specie inp_file_name="S6"><identification><InChIKey>FEXCMMPRRBSCRG-UHFFFAOYSA-N</InChIKey><canonical_smiles>S1SSSSS1</canonical_smiles><cas_number>13798-23-7</cas_number><IUPAC_name>hexathiane</IUPAC_name></identification><comment>Gurvich,1989 pt1 p282 pt2 p170.</comment><reference>tpis89</reference><elements><element S="6" /></elements><condensed>False</condensed><molecular_weight>0.19238999999999998</molecular_weight><hf298.15>101315.180</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>9.780307210e+04</a1><a2>-2.568470130e+03</a2><a3>2.467025557e+01</a3><a4>-1.619983175e-02</a4><a5>1.712334526e-05</a5><a6>-9.746296740e-09</a6><a7>2.486964867e-12</a7><b1>2.037888389e+04</b1><b2>-1.014410309e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>3.686845060e+06</a1><a2>-7.695017900e+03</a2><a3>1.860721995e+01</a3><a4>2.290382548e-03</a4><a5>-1.219834021e-06</a5><a6>2.060780798e-10</a6><a7>-1.190354318e-14</a7><b1>6.032486480e+04</b1><b2>-7.490245718e+01</b2></T_range></specie><specie inp_file_name="S7"><identification><InChIKey>FSGTTWJSQBGBNM-UHFFFAOYSA-N</InChIKey><canonical_smiles>S=S=S=S=S=S=S</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>bis[(sulfanylidene-$l^{4}-sulfanylidene)-$l^{4}-sulfanylidene]-$l^{4}-sulfane</IUPAC_name></identification><comment>Gurvich,1989 pt1 p283 pt2 p171.</comment><reference>tpis89</reference><elements><element S="7" /></elements><condensed>False</condensed><molecular_weight>0.22445500000000002</molecular_weight><hf298.15>111890.369</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.233655613e+05</a1><a2>-3.200543640e+03</a2><a3>3.015678887e+01</a3><a4>-2.197472483e-02</a4><a5>2.487892075e-05</a5><a6>-1.506049557e-08</a6><a7>3.768925990e-12</a7><b1>2.390005896e+04</b1><b2>-1.275978171e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.726396041e+05</a1><a2>-7.373215220e+01</a2><a3>1.905771987e+01</a3><a4>-2.394575885e-05</a4><a5>5.442671300e-09</a5><a6>-6.379663480e-13</a6><a7>3.008212993e-17</a7><b1>7.308458830e+03</b1><b2>-6.159112428e+01</b2></T_range></specie><specie inp_file_name="S8"><identification><InChIKey>JLQNHALFVCURHW-UHFFFAOYSA-N</InChIKey><canonical_smiles>S1SSSSSSS1</canonical_smiles><cas_number>10544-50-0</cas_number><IUPAC_name>octathiocane</IUPAC_name></identification><comment>Gurvich,1989 pt1 p284 pt2 p172.</comment><reference>tpis89</reference><elements><element S="8" /></elements><condensed>False</condensed><molecular_weight>0.25651999999999997</molecular_weight><hf298.15>101277.122</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>3.145625719e+05</a1><a2>-6.116510160e+03</a2><a3>4.875327540e+01</a3><a4>-6.241794650e-02</a4><a5>7.421831750e-05</a5><a6>-3.726449310e-08</a6><a7>5.799429880e-12</a7><b1>3.573890840e+04</b1><b2>-2.288701977e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-8.727921130e+06</a1><a2>1.221627968e+04</a2><a3>2.209959617e+01</a3><a4>-3.494064830e-03</a4><a5>1.397604162e-06</a5><a6>-2.169815281e-10</a6><a7>1.212304364e-14</a7><b1>-8.658110820e+04</b1><b2>-6.435742508e+01</b2></T_range></specie><specie inp_file_name="Sc"><identification><InChIKey>SIXSYDAISGFNSX-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Sc]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>scandium</IUPAC_name></identification><comment>Hf:Gurvich,1982. Sugar,1985. Gordon,1999.</comment><reference>g 1/99</reference><elements><element Sc="1" /></elements><condensed>False</condensed><molecular_weight>0.04495591</molecular_weight><hf298.15>377700.259</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-3.700805940e+03</a1><a2>1.692506026e+02</a2><a3>1.842242597e+00</a3><a4>1.364835821e-03</a4><a5>-1.580085847e-06</a5><a6>9.613111150e-10</a6><a7>-2.392381918e-13</a7><b1>4.385215240e+04</b1><b2>1.072781921e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>8.810382650e+06</a1><a2>-2.711232975e+04</a2><a3>3.476588660e+01</a3><a4>-1.861104581e-02</a4><a5>5.290283900e-06</a5><a6>-6.585408060e-10</a6><a7>2.997850429e-14</a7><b1>2.162460097e+05</b1><b2>-2.225618519e+02</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>2.283130511e+09</a1><a2>-1.367701232e+06</a2><a3>3.213593060e+02</a3><a4>-3.563171100e-02</a4><a5>2.093254715e-06</a5><a6>-6.238650020e-11</a6><a7>7.425605615e-16</a7><b1>1.092708359e+07</b1><b2>-2.781409383e+03</b2></T_range></specie><specie inp_file_name="Sc+"><identification><InChIKey>SIXSYDAISGFNSX-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Sc]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>scandium</IUPAC_name></identification><comment>Sugar,1985. Gordon,1999.</comment><reference>g 7/97</reference><elements><element Sc="1" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.0449553614</molecular_weight><hf298.15>1017145.222</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>-5.884930160e+03</a1><a2>1.479044408e+02</a2><a3>2.009576456e+00</a3><a4>7.389566970e-04</a4><a5>-6.617964820e-07</a5><a6>6.841073760e-10</a6><a7>-2.164125532e-13</a7><b1>1.208439139e+05</b1><b2>1.026570620e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.973658531e+06</a1><a2>-4.954384100e+03</a2><a3>6.360627350e+00</a3><a4>-7.168785920e-04</a4><a5>2.464991123e-08</a5><a6>9.632373790e-12</a6><a7>-8.544709642e-16</a7><b1>1.543423764e+05</b1><b2>-2.261925782e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>2.219151811e+08</a1><a2>-1.287881370e+05</a2><a3>3.265593870e+01</a3><a4>-3.379963200e-03</a4><a5>1.981741972e-07</a5><a6>-5.190207160e-12</a6><a7>4.635586113e-17</a7><b1>1.149364313e+06</b1><b2>-2.553294937e+02</b2></T_range></specie><specie inp_file_name="Sc-"><identification><InChIKey>SIXSYDAISGFNSX-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Sc]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>scandium</IUPAC_name></identification><comment>Hotop,1985. Used J from isoelectronic Ti. Gordon,1999.</comment><reference>g 9/97</reference><elements><element Sc="1" /><element E="1" /></elements><condensed>False</condensed><molecular_weight>0.0449564586</molecular_weight><hf298.15>352558.828</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.500000000e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>4.165746390e+04</b1><b2>8.270420720e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.500000000e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>4.165746390e+04</b1><b2>8.270420720e+00</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.500000000e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>4.165746390e+04</b1><b2>8.270420720e+00</b2></T_range></specie><specie inp_file_name="ScO"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>D0,Props(extrap):Gurvich,1982 pt1 p140 pt2 p143.</comment><reference>tpis89</reference><elements><element Sc="1" /><element O="1" /></elements><condensed>False</condensed><molecular_weight>0.06095531</molecular_weight><hf298.15>-55065.294</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-3.136784613e+03</a1><a2>2.271981685e+02</a2><a3>8.850757320e-01</a3><a4>1.052430774e-02</a4><a5>-1.431954596e-05</a5><a6>9.652351070e-09</a6><a7>-2.586210633e-12</a7><b1>-8.550798770e+03</b1><b2>2.012706847e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.224192443e+06</a1><a2>-3.918915720e+03</a2><a3>8.679848810e+00</a3><a4>-1.995893306e-03</a4><a5>4.066989850e-07</a5><a6>-1.504459913e-11</a6><a7>-8.472998900e-16</a7><b1>1.677322594e+04</b1><b2>-2.951656272e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>5.435720930e+08</a1><a2>-2.629571561e+05</a2><a3>4.324788690e+01</a3><a4>-8.590816240e-04</a4><a5>-1.205059380e-07</a5><a6>6.918221540e-12</a6><a7>-1.109417319e-16</a7><b1>2.162498313e+06</b1><b2>-3.650332350e+02</b2></T_range></specie><specie inp_file_name="ScO+"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>D0,Estim.cons:Gurvich,1982 pt1 p142 pt2 p145.</comment><reference>g10/99</reference><elements><element Sc="1" /><element O="1" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.0609547614</molecular_weight><hf298.15>561209.966</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>4.588560270e+04</a1><a2>-3.367114370e+02</a2><a3>3.527206400e+00</a3><a4>3.988850300e-03</a4><a5>-5.568985430e-06</a5><a6>3.650281190e-09</a6><a7>-9.356491500e-13</a7><b1>6.838350790e+04</b1><b2>4.339812700e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.814357141e+06</a1><a2>5.853425320e+03</a2><a3>-3.657101210e+00</a3><a4>5.734364510e-03</a4><a5>-2.092878161e-06</a5><a6>3.695645020e-10</a6><a7>-2.214038347e-14</a7><b1>2.955364078e+04</b1><b2>5.660889410e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>4.395803280e+09</a1><a2>-2.670232109e+06</a2><a3>6.250769670e+02</a3><a4>-6.991767580e-02</a4><a5>4.175372710e-06</a5><a6>-1.274326266e-10</a6><a7>1.571603736e-15</a7><b1>2.130530393e+07</b1><b2>-5.428823800e+03</b2></T_range></specie><specie inp_file_name="ScO2"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1982 pt1 p143 pt2 p147.</comment><reference>tpis82</reference><elements><element Sc="1" /><element O="2" /></elements><condensed>False</condensed><molecular_weight>0.07695471000000001</molecular_weight><hf298.15>-413650.667</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>4.794700960e+04</a1><a2>-4.298358590e+02</a2><a3>3.417206500e+00</a3><a4>1.361338544e-02</a4><a5>-2.047465023e-05</a5><a6>1.455906041e-08</a6><a7>-4.038087690e-12</a7><b1>-4.861049530e+04</b1><b2>7.670013330e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.903902542e+05</a1><a2>-2.315588820e+02</a2><a3>7.172104910e+00</a3><a4>-6.859209640e-05</a4><a5>1.510998557e-08</a5><a6>-1.727951588e-12</a6><a7>7.988980500e-17</a7><b1>-5.112974750e+04</b1><b2>-1.090764597e+01</b2></T_range></specie><specie inp_file_name="Sc2O"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1982 pt1 p144 pt2 p148.</comment><reference>tpis82</reference><elements><element Sc="2" /><element O="1" /></elements><condensed>False</condensed><molecular_weight>0.10591122</molecular_weight><hf298.15>-23044.208</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>2.550002615e+04</a1><a2>-3.077608607e+02</a2><a3>4.671215040e+00</a3><a4>8.696142250e-03</a4><a5>-1.283873116e-05</a5><a6>8.988966810e-09</a6><a7>-2.461994147e-12</a7><b1>-2.614951944e+03</b1><b2>2.920017180e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.350880396e+05</a1><a2>-1.854540692e+02</a2><a3>7.138294080e+00</a3><a4>-5.529432140e-05</a4><a5>1.221589315e-08</a5><a6>-1.400490463e-12</a6><a7>6.488858110e-17</a7><b1>-4.240235140e+03</b1><b2>-9.372710950e+00</b2></T_range></specie><specie inp_file_name="Sc2O2"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1982 pt1 p145 pt2 p149.</comment><reference>tpis82</reference><elements><element Sc="2" /><element O="2" /></elements><condensed>False</condensed><molecular_weight>0.12191062</molecular_weight><hf298.15>-490571.020</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>3.468445490e+03</a1><a2>2.617988314e+02</a2><a3>-3.052099624e-01</a3><a4>3.076104070e-02</a4><a5>-4.183478360e-05</a5><a6>2.794218425e-08</a6><a7>-7.412672050e-12</a7><b1>-6.144013210e+04</b1><b2>2.915248555e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.977348677e+05</a1><a2>-5.803677920e+02</a2><a3>1.043318377e+01</a3><a4>-1.734165462e-04</a4><a5>3.836089790e-08</a5><a6>-4.403078030e-12</a6><a7>2.042208922e-16</a7><b1>-5.964866280e+04</b1><b2>-2.855828369e+01</b2></T_range></specie><specie inp_file_name="Si"><identification><InChIKey>XUIMIQQOPSSXEZ-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Si]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>silicon</IUPAC_name></identification><comment>Hf:Cox,1989. NIST data version1.1 [Online]1997. Gordon,1999.</comment><reference>g 8/97</reference><elements><element Si="1" /></elements><condensed>False</condensed><molecular_weight>0.0280855</molecular_weight><hf298.15>450000.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>9.836140810e+01</a1><a2>1.546544523e+02</a2><a3>1.876436670e+00</a3><a4>1.320637995e-03</a4><a5>-1.529720059e-06</a5><a6>8.950562770e-10</a6><a7>-1.952873490e-13</a7><b1>5.263510310e+04</b1><b2>9.698288880e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-6.169298850e+05</a1><a2>2.240683927e+03</a2><a3>-4.448619320e-01</a3><a4>1.710056321e-03</a4><a5>-4.107714160e-07</a5><a6>4.558884780e-11</a6><a7>-1.889515353e-15</a7><b1>3.953558760e+04</b1><b2>2.679668061e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>-9.286548940e+08</a1><a2>5.443989890e+05</a2><a3>-1.206739736e+02</a3><a4>1.359662698e-02</a4><a5>-7.606498660e-07</a5><a6>2.149746065e-11</a6><a7>-2.474116774e-16</a7><b1>-4.293792120e+06</b1><b2>1.086382839e+03</b2></T_range></specie><specie inp_file_name="Si+"><identification><InChIKey>XUIMIQQOPSSXEZ-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Si]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>silicon</IUPAC_name></identification><comment>Martin,W.C.,1983. Gordon,1999.</comment><reference>g 4/97</reference><elements><element Si="1" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.028084951400000002</molecular_weight><hf298.15>1242508.045</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>-4.329791880e+04</a1><a2>6.795894490e+02</a2><a3>2.257046144e-01</a3><a4>4.118600490e-03</a4><a5>-4.234881600e-06</a5><a6>2.327995626e-09</a6><a7>-5.318388059e-13</a7><b1>1.452039813e+05</b1><b2>1.934650510e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>5.919390230e+04</a1><a2>-4.856730950e+01</a2><a3>2.556312024e+00</a3><a4>-3.503397160e-05</a4><a5>1.190298787e-08</a5><a6>-2.082923821e-12</a6><a7>1.471452049e-16</a7><b1>1.491431392e+05</b1><b2>5.244267140e+00</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>-4.364077210e+07</a1><a2>2.434350601e+04</a2><a3>-2.763336522e+00</a3><a4>5.924483200e-04</a4><a5>-4.454048310e-08</a5><a6>2.509351585e-12</a6><a7>-5.090212919e-17</a7><b1>-4.683214410e+04</b1><b2>5.196564190e+01</b2></T_range></specie><specie inp_file_name="Si-"><identification><InChIKey>XUIMIQQOPSSXEZ-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Si]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>silicon</IUPAC_name></identification><comment>Chase,1998 p1887 3/83. EA:Hotop,1985. Gordon,1999.</comment><reference>g 4/97</reference><elements><element Si="1" /><element E="1" /></elements><condensed>False</condensed><molecular_weight>0.0280860486</molecular_weight><hf298.15>308817.528</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>-7.940146670e+02</a1><a2>5.567418420e+00</a2><a3>2.499837183e+00</a3><a4>-9.481394460e-05</a4><a5>3.171246930e-07</a5><a6>-4.191323180e-10</a6><a7>2.035924380e-13</a7><b1>3.636443380e+04</b1><b2>5.270119840e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-6.162070100e+06</a1><a2>1.883310402e+04</a2><a3>-1.899302450e+01</a3><a4>1.111021657e-02</a4><a5>-2.535790208e-06</a5><a6>2.699962923e-10</a6><a7>-1.105062911e-14</a7><b1>-8.314089310e+04</b1><b2>1.595298253e+02</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>-5.429517960e+07</a1><a2>3.297105700e+04</a2><a3>-2.470579690e+00</a3><a4>3.966577600e-04</a4><a5>-1.764141255e-08</a5><a6>4.115769760e-13</a6><a7>-3.904369380e-18</a7><b1>-2.315881505e+05</b1><b2>5.226601830e+01</b2></T_range></specie><specie inp_file_name="SiBr"><identification><InChIKey>FTYZKCCJUXJFLT-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Si]Br</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>bromosilicon</IUPAC_name></identification><comment>Gurvich,1991 pt1 p280 pt2 p249.</comment><reference>tpis91</reference><elements><element Si="1" /><element Br="1" /></elements><condensed>False</condensed><molecular_weight>0.1079895</molecular_weight><hf298.15>175157.421</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>7.370283350e+03</a1><a2>-5.051062960e+02</a2><a3>8.280591040e+00</a3><a4>-1.005383920e-02</a4><a5>1.357050920e-05</a5><a6>-9.115449900e-09</a6><a7>2.447477685e-12</a7><b1>2.184405475e+04</b1><b2>-1.662032657e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.317799940e+06</a1><a2>-3.669795020e+03</a2><a3>8.511686120e+00</a3><a4>-1.987602041e-03</a4><a5>5.035414890e-07</a5><a6>-4.490120190e-11</a6><a7>8.235670070e-16</a7><b1>4.332851550e+04</b1><b2>-2.467075472e+01</b2></T_range></specie><specie inp_file_name="SiBr2"><identification><InChIKey>KBDJQNUZLNUGDS-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Si](Br)Br</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dibromosilicon</IUPAC_name></identification><comment>Gurvich,1991 pt1 p281 pt2 p250.</comment><reference>tpis91</reference><elements><element Si="1" /><element Br="2" /></elements><condensed>False</condensed><molecular_weight>0.1878935</molecular_weight><hf298.15>-51000.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>2.386616151e+04</a1><a2>-6.415693470e+02</a2><a3>9.345879110e+00</a3><a4>-4.792904140e-03</a4><a5>5.582538470e-06</a5><a6>-3.455312380e-09</a6><a7>8.800338940e-13</a7><b1>-5.014757020e+03</b1><b2>-1.740767596e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-5.147343940e+04</a1><a2>-1.277719997e+01</a2><a3>7.010202240e+00</a3><a4>-4.296331860e-06</a4><a5>9.877651970e-10</a5><a6>-1.168133105e-13</a6><a7>5.546681380e-18</a7><b1>-8.319542250e+03</b1><b2>-3.611826610e+00</b2></T_range></specie><specie inp_file_name="SiBr3"><identification><InChIKey>KRCZLPQTJDWPKN-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Si](Br)(Br)Br</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>tribromosilicon</IUPAC_name></identification><comment>Gurvich,1991 pt1 p282 pt2 p251.</comment><reference>tpis91</reference><elements><element Si="1" /><element Br="3" /></elements><condensed>False</condensed><molecular_weight>0.2677975</molecular_weight><hf298.15>-157000.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>3.972806860e+04</a1><a2>-1.066475023e+03</a2><a3>1.380836232e+01</a3><a4>-7.641114720e-03</a4><a5>8.775865830e-06</a5><a6>-5.372430850e-09</a6><a7>1.356453455e-12</a7><b1>-1.651795623e+04</b1><b2>-3.784055370e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-8.888024740e+04</a1><a2>-2.267879074e+01</a2><a3>1.001791167e+01</a3><a4>-7.481150750e-06</a4><a5>1.709242690e-09</a5><a6>-2.011596627e-13</a6><a7>9.515534150e-18</a7><b1>-2.203026938e+04</b1><b2>-1.537574366e+01</b2></T_range></specie><specie inp_file_name="SiBr4"><identification><InChIKey>AIFMYMZGQVTROK-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Si](Br)(Br)(Br)Br</canonical_smiles><cas_number>7789-66-4</cas_number><IUPAC_name>tetrabromosilane</IUPAC_name></identification><comment>Gurvich,1991 pt1 p283 pt2 p252.</comment><reference>tpis91</reference><elements><element Si="1" /><element Br="4" /></elements><condensed>False</condensed><molecular_weight>0.3477015</molecular_weight><hf298.15>-415800.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>6.821086740e+04</a1><a2>-1.520370776e+03</a2><a3>1.810453360e+01</a3><a4>-9.734688420e-03</a4><a5>1.072367466e-05</a5><a6>-6.343858290e-09</a6><a7>1.557228200e-12</a7><b1>-4.616585210e+04</b1><b2>-5.976120630e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.271409281e+05</a1><a2>-3.768087950e+01</a2><a3>1.302910642e+01</a3><a4>-1.194958251e-05</a4><a5>2.693843051e-09</a5><a6>-3.137193207e-13</a6><a7>1.471642663e-17</a7><b1>-5.408998830e+04</b1><b2>-2.940384330e+01</b2></T_range></specie><specie inp_file_name="SiC"><identification><InChIKey>HBMJWWWQQXIZIP-UHFFFAOYSA-N</InChIKey><canonical_smiles>[C-]#[Si+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>methanidylidynesilanylium</IUPAC_name></identification><comment>Gurvich,1991 pt1 p301 pt2 p265.</comment><reference>tpis91</reference><elements><element Si="1" /><element C="1" /></elements><condensed>False</condensed><molecular_weight>0.040096200000000005</molecular_weight><hf298.15>734946.140</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-6.223330890e+03</a1><a2>3.141790457e+02</a2><a3>3.893130830e-01</a3><a4>1.187507540e-02</a4><a5>-1.639277197e-05</a5><a6>1.131808223e-08</a6><a7>-3.045324231e-12</a7><b1>8.606227730e+04</b1><b2>2.310166717e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-6.268806030e+04</a1><a2>7.209836920e+02</a2><a3>2.162879732e+00</a3><a4>2.201299585e-03</a4><a5>-6.569466590e-07</a5><a6>9.177110260e-11</a6><a7>-4.969166740e-15</a7><b1>8.321225850e+04</b1><b2>1.601675317e+01</b2></T_range></specie><specie inp_file_name="SiC2"><identification><InChIKey>YXAAJYOVRIZQLN-UHFFFAOYSA-N</InChIKey><canonical_smiles>C1#C[Si]1</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>1$l^{2}-silacycloprop-2-yne</IUPAC_name></identification><comment>Gurvich,1991 pt1 p302 pt2 p266.</comment><reference>tpis91</reference><elements><element Si="1" /><element C="2" /></elements><condensed>False</condensed><molecular_weight>0.052106900000000005</molecular_weight><hf298.15>631360.938</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-4.119628990e+04</a1><a2>6.869747180e+02</a2><a3>2.361343691e-02</a3><a4>1.532939217e-02</a4><a5>-1.435588838e-05</a5><a6>6.375228740e-09</a6><a7>-1.059204957e-12</a7><b1>7.130890710e+04</b1><b2>2.828850316e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>7.026893090e+06</a1><a2>-2.466148437e+04</a2><a3>3.915453030e+01</a3><a4>-2.002884068e-02</a4><a5>6.307353690e-06</a5><a6>-8.848383510e-10</a6><a7>4.530549850e-14</a7><b1>2.267325155e+05</b1><b2>-2.366622024e+02</b2></T_range></specie><specie inp_file_name="SiCl"><identification><InChIKey>SLLGVCUQYRMELA-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Si]Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>chlorosilicon</IUPAC_name></identification><comment>Gurvich,1991 pt1 p271 pt2 p243.</comment><reference>tpis91</reference><elements><element Si="1" /><element Cl="1" /></elements><condensed>False</condensed><molecular_weight>0.0635385</molecular_weight><hf298.15>142363.219</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.248508319e+04</a1><a2>-2.044170347e+02</a2><a3>4.977070850e+00</a3><a4>-5.160756260e-04</a4><a5>2.931980374e-07</a5><a6>-3.666615230e-12</a6><a7>-3.393037130e-14</a7><b1>1.686528019e+04</b1><b2>-2.263957240e-01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>3.767294560e+05</a1><a2>-1.147956509e+03</a2><a3>5.735408430e+00</a3><a4>-5.784890810e-04</a4><a5>1.517304648e-07</a5><a6>-1.291391394e-11</a6><a7>1.554628420e-16</a7><b1>2.306278401e+04</b1><b2>-6.098515228e+00</b2></T_range></specie><specie inp_file_name="SiCl2"><identification><InChIKey>BUMGIEFFCMBQDG-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Si](Cl)Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dichlorosilicon</IUPAC_name></identification><comment>Gurvich,1991 pt1 p273 pt2 p244.</comment><reference>tpis91</reference><elements><element Si="1" /><element Cl="2" /></elements><condensed>False</condensed><molecular_weight>0.0989915</molecular_weight><hf298.15>-163069.287</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>5.305550970e+04</a1><a2>-1.015842786e+03</a2><a3>1.032848185e+01</a3><a4>-6.212267520e-03</a4><a5>6.715825400e-06</a5><a6>-3.908801640e-09</a6><a7>9.461732150e-13</a7><b1>-1.650218093e+04</b1><b2>-2.649925756e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-8.050871570e+04</a1><a2>-2.661025523e+01</a2><a3>7.020414720e+00</a3><a4>-8.335824720e-06</a4><a5>1.871092411e-09</a5><a6>-2.171552767e-13</a6><a7>1.015849895e-17</a7><b1>-2.181294885e+04</b1><b2>-6.638764238e+00</b2></T_range></specie><specie inp_file_name="SiCl3"><identification><InChIKey>PPDADIYYMSXQJK-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Si](Cl)(Cl)Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>trichlorosilicon</IUPAC_name></identification><comment>Gurvich,1991 pt1 p275 pt2 p245.</comment><reference>tpis91</reference><elements><element Si="1" /><element Cl="3" /></elements><condensed>False</condensed><molecular_weight>0.1344445</molecular_weight><hf298.15>-336271.670</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>8.691708460e+04</a1><a2>-1.677556857e+03</a2><a3>1.511519060e+01</a3><a4>-8.937031000e-03</a4><a5>9.097353530e-06</a5><a6>-5.014579960e-09</a6><a7>1.155962016e-12</a7><b1>-3.477477300e+04</b1><b2>-5.087215506e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.477180114e+05</a1><a2>-5.335200980e+01</a2><a3>1.004043521e+01</a3><a4>-1.635121060e-05</a4><a5>3.641940110e-09</a5><a6>-4.200600590e-13</a6><a7>1.955201587e-17</a7><b1>-4.360571650e+04</b1><b2>-2.006632444e+01</b2></T_range></specie><specie inp_file_name="SiCl4"><identification><InChIKey>FDNAPBUWERUEDA-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Si](Cl)(Cl)(Cl)Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>tetrachlorosilane</IUPAC_name></identification><comment>Gurvich,1991 pt1 p276 pt2 p246.</comment><reference>tpis91</reference><elements><element Si="1" /><element Cl="4" /></elements><condensed>False</condensed><molecular_weight>0.1698975</molecular_weight><hf298.15>-662200.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.171646285e+05</a1><a2>-2.185821461e+03</a2><a3>1.908250496e+01</a3><a4>-9.636335720e-03</a4><a5>8.836847690e-06</a5><a6>-4.360042400e-09</a6><a7>8.940232430e-13</a7><b1>-7.212802110e+04</b1><b2>-7.301532221e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.100330761e+05</a1><a2>-8.476107710e+01</a2><a3>1.306364027e+01</a3><a4>-2.554020420e-05</a4><a5>5.653818470e-09</a5><a6>-6.488752670e-13</a6><a7>3.008025543e-17</a7><b1>-8.372268130e+04</b1><b2>-3.592584781e+01</b2></T_range></specie><specie inp_file_name="SiF"><identification><InChIKey>ZHPNWZCWUUJAJC-UHFFFAOYSA-N</InChIKey><canonical_smiles>F[Si]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>fluorosilicon</IUPAC_name></identification><comment>Gurvich,1991 pt1 p264 pt2 p238.</comment><reference>tpis91</reference><elements><element Si="1" /><element F="1" /></elements><condensed>False</condensed><molecular_weight>0.0470839032</molecular_weight><hf298.15>-25232.686</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.478223768e+04</a1><a2>1.357998649e+01</a2><a3>2.324182643e+00</a3><a4>7.132851180e-03</a4><a5>-1.022951215e-05</a5><a6>7.148396470e-09</a6><a7>-1.964689785e-12</a7><b1>-3.995380650e+03</b1><b2>1.231128121e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-3.653637880e+05</a1><a2>8.722860040e+02</a2><a3>3.377218270e+00</a3><a4>7.508152430e-04</a4><a5>-2.308898619e-07</a5><a6>3.766781800e-11</a6><a7>-2.143080403e-15</a7><b1>-1.011697664e+04</b1><b2>8.968132820e+00</b2></T_range></specie><specie inp_file_name="SiFCl"><identification><InChIKey>KVRXUBCNDACNHK-UHFFFAOYSA-N</InChIKey><canonical_smiles>F[Si]Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>chloro(fluoro)silicon</IUPAC_name></identification><comment>Gurvich,1991 pt1 p279 pt2 p248.</comment><reference>tpis91</reference><elements><element Si="1" /><element F="1" /><element Cl="1" /></elements><condensed>False</condensed><molecular_weight>0.0825369032</molecular_weight><hf298.15>-377826.516</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>4.176954640e+04</a1><a2>-5.926575380e+02</a2><a3>6.409770710e+00</a3><a4>4.641682610e-03</a4><a5>-7.978461910e-06</a5><a6>6.008728370e-09</a6><a7>-1.720953157e-12</a7><b1>-4.398296070e+04</b1><b2>-6.259737448e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.284698945e+05</a1><a2>-1.247550173e+02</a2><a3>7.092893850e+00</a3><a4>-3.707311770e-05</a4><a5>8.175173010e-09</a5><a6>-9.356435210e-13</a6><a7>4.328544340e-17</a7><b1>-4.723309720e+04</b1><b2>-8.337392708e+00</b2></T_range></specie><specie inp_file_name="SiF2"><identification><InChIKey>MGNHOGAVECORPT-UHFFFAOYSA-N</InChIKey><canonical_smiles>F[Si]F</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>difluorosilicon</IUPAC_name></identification><comment>Gurvich,1991 pt1 p266 pt2 p239.</comment><reference>tpis91</reference><elements><element Si="1" /><element F="2" /></elements><condensed>False</condensed><molecular_weight>0.0660823064</molecular_weight><hf298.15>-592838.108</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>4.053236650e+04</a1><a2>-3.997637560e+02</a2><a3>4.055303880e+00</a3><a4>1.153423049e-02</a4><a5>-1.757586754e-05</a5><a6>1.260369111e-08</a6><a7>-3.517105220e-12</a7><b1>-7.047770460e+04</b1><b2>3.879854420e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.675200202e+05</a1><a2>-1.846212090e+02</a2><a3>7.136986350e+00</a3><a4>-5.450769860e-05</a4><a5>1.199012961e-08</a5><a6>-1.369470187e-12</a6><a7>6.324889990e-17</a7><b1>-7.287401020e+04</b1><b2>-1.117933348e+01</b2></T_range></specie><specie inp_file_name="SiF3"><identification><InChIKey>ATVLVRVBCRICNU-UHFFFAOYSA-N</InChIKey><canonical_smiles>F[Si](F)F</canonical_smiles><cas_number>14835-14-4</cas_number><IUPAC_name>trifluorosilicon</IUPAC_name></identification><comment>Gurvich,1991 pt1 p268 pt2 p240</comment><reference>tpis91</reference><elements><element Si="1" /><element F="3" /></elements><condensed>False</condensed><molecular_weight>0.08508070960000001</molecular_weight><hf298.15>-996436.577</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>5.755369980e+04</a1><a2>-7.179595770e+02</a2><a3>5.379396940e+00</a3><a4>1.813065142e-02</a4><a5>-2.738373356e-05</a5><a6>1.946519470e-08</a6><a7>-5.390790560e-12</a7><b1>-1.177631169e+05</b1><b2>-3.442902040e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.903283702e+05</a1><a2>-3.427876940e+02</a2><a3>1.025536335e+01</a3><a4>-1.019796690e-04</a4><a5>2.250326132e-08</a5><a6>-2.577117181e-12</a6><a7>1.192923177e-16</a7><b1>-1.218088967e+05</b1><b2>-2.725261142e+01</b2></T_range></specie><specie inp_file_name="SiF4"><identification><InChIKey>ABTOQLMXBSRXSM-UHFFFAOYSA-N</InChIKey><canonical_smiles>F[Si](F)(F)F</canonical_smiles><cas_number>7783-61-1</cas_number><IUPAC_name>tetrafluorosilane</IUPAC_name></identification><comment>Johnson,1986. McDowell,1982. Chase,1998 p1190 (6/76).</comment><reference>g 6/01</reference><elements><element Si="1" /><element F="4" /></elements><condensed>False</condensed><molecular_weight>0.1040791128</molecular_weight><hf298.15>-1615780.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.069670784e+04</a1><a2>-9.569638640e+01</a2><a3>2.513988593e+00</a3><a4>3.309781030e-02</a4><a5>-4.573044080e-05</a5><a6>3.091834452e-08</a6><a7>-8.269304050e-12</a7><b1>-1.956252529e+05</b1><b2>1.133722022e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-3.845892320e+05</a1><a2>-6.569979910e+02</a2><a3>1.348925720e+01</a3><a4>-5.100471360e-05</a4><a5>5.346329580e-08</a5><a6>-4.959598110e-12</a6><a7>2.299314375e-16</a7><b1>-1.957284479e+05</b1><b2>-4.673894650e+01</b2></T_range></specie><specie inp_file_name="SiH"><identification><InChIKey>QHGSGZLLHBKSAH-UHFFFAOYSA-N</InChIKey><canonical_smiles>[SiH]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>$l^{1}-silane</IUPAC_name></identification><comment>Gurvich,1991 pt1 p257 pt2 p234.</comment><reference>tpis91</reference><elements><element Si="1" /><element H="1" /></elements><condensed>False</condensed><molecular_weight>0.02909344</molecular_weight><hf298.15>368636.210</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-6.426676300e+03</a1><a2>7.417251210e+01</a2><a3>3.973491600e+00</a3><a4>-4.149408880e-03</a4><a5>1.022918384e-05</a5><a6>-8.592386360e-09</a6><a7>2.567093743e-12</a7><b1>4.281745800e+04</b1><b2>2.246937150e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>4.042086490e+05</a1><a2>-2.364796524e+03</a2><a3>7.627499140e+00</a3><a4>-2.496591233e-03</a4><a5>1.108436410e-06</a5><a6>-1.943991955e-10</a6><a7>1.136251507e-14</a7><b1>5.704737680e+04</b1><b2>-2.448054429e+01</b2></T_range></specie><specie inp_file_name="SiH+"><identification><InChIKey>QHGSGZLLHBKSAH-UHFFFAOYSA-N</InChIKey><canonical_smiles>[SiH]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>$l^{1}-silane</IUPAC_name></identification><comment>Chase,1998 p1308.</comment><reference>j12/71</reference><elements><element Si="1" /><element H="1" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.029092891399999998</molecular_weight><hf298.15>1147671.167</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>-4.307157170e+04</a1><a2>3.884958240e+02</a2><a3>2.546166863e+00</a3><a4>-6.686325980e-04</a4><a5>5.186277020e-06</a5><a6>-4.818569740e-09</a6><a7>1.445702640e-12</a7><b1>1.349079707e+05</b1><b2>9.027950090e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.711692033e+05</a1><a2>-1.045807287e+03</a2><a3>4.838648240e+00</a3><a4>1.277940891e-04</a4><a5>-6.883872450e-08</a5><a6>1.418843480e-11</a6><a7>-7.855316960e-16</a7><b1>1.431721450e+05</b1><b2>-7.553299140e+00</b2></T_range></specie><specie inp_file_name="SiHBr3"><identification><InChIKey>IBOKZQNMFSHYNQ-UHFFFAOYSA-N</InChIKey><canonical_smiles>[SiH](Br)(Br)Br</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>tribromosilane</IUPAC_name></identification><comment>Chase,1998 p514.</comment><reference>j12/76</reference><elements><element Si="1" /><element H="1" /><element Br="3" /></elements><condensed>False</condensed><molecular_weight>0.26880543999999995</molecular_weight><hf298.15>-302922.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.322811122e+05</a1><a2>-2.205365507e+03</a2><a3>1.775084194e+01</a3><a4>-1.047794569e-02</a4><a5>1.286821723e-05</a5><a6>-7.743124260e-09</a6><a7>1.819060891e-12</a7><b1>-2.834992682e+04</b1><b2>-6.331199540e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>2.199973526e+05</a1><a2>-2.024458552e+03</a2><a3>1.435781007e+01</a3><a4>-5.037015840e-04</a4><a5>1.054049755e-07</a5><a6>-1.160828765e-11</a6><a7>5.217257680e-16</a7><b1>-2.842086214e+04</b1><b2>-4.536437170e+01</b2></T_range></specie><specie inp_file_name="SiHCl"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1991 pt1 p277 pt2 p247.</comment><reference>tpis91</reference><elements><element Si="1" /><element H="1" /><element Cl="1" /></elements><condensed>False</condensed><molecular_weight>0.06454644000000001</molecular_weight><hf298.15>54945.913</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>5.909673050e+04</a1><a2>-8.780064030e+02</a2><a3>7.999687930e+00</a3><a4>-4.663141270e-03</a4><a5>8.594986000e-06</a5><a6>-6.608073550e-09</a6><a7>1.868076396e-12</a7><b1>9.567570340e+03</b1><b2>-1.690014311e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.012152890e+05</a1><a2>-1.163239598e+03</a2><a3>7.376366550e+00</a3><a4>1.874151313e-04</a4><a5>-1.661351093e-07</a5><a6>3.964414040e-11</a6><a7>-2.640580080e-15</a7><b1>1.141064087e+04</b1><b2>-1.507678798e+01</b2></T_range></specie><specie inp_file_name="SiHCl3"><identification><InChIKey>ZDHXKXAHOVTTAH-UHFFFAOYSA-N</InChIKey><canonical_smiles>[SiH](Cl)(Cl)Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>trichlorosilane</IUPAC_name></identification><comment>Chase,1998 880.</comment><reference>j12/76</reference><elements><element Si="1" /><element H="1" /><element Cl="3" /></elements><condensed>False</condensed><molecular_weight>0.13545244</molecular_weight><hf298.15>-496222.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.659565586e+05</a1><a2>-2.552498122e+03</a2><a3>1.750117375e+01</a3><a4>-7.885728660e-03</a4><a5>8.092567490e-06</a5><a6>-3.980420600e-09</a6><a7>7.059173320e-13</a7><b1>-4.951316600e+04</b1><b2>-6.758519053e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.728644072e+05</a1><a2>-2.116727327e+03</a2><a3>1.441802307e+01</a3><a4>-5.255249620e-04</a4><a5>1.098826178e-07</a5><a6>-1.209327059e-11</a6><a7>5.432187050e-16</a7><b1>-5.130351940e+04</b1><b2>-5.036360893e+01</b2></T_range></specie><specie inp_file_name="SiHF"><identification><InChIKey>MNTPMEHIQKUBIC-UHFFFAOYSA-N</InChIKey><canonical_smiles>F.[Si]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>silicon;hydrofluoride</IUPAC_name></identification><comment>Gurvich,1991 pt1 p270 pt2 p242.</comment><reference>tpis91</reference><elements><element Si="1" /><element H="1" /><element F="1" /></elements><condensed>False</condensed><molecular_weight>0.0480918432</molecular_weight><hf298.15>-162657.169</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>2.192598671e+04</a1><a2>-6.175229080e+01</a2><a3>2.127372739e+00</a3><a4>1.123538312e-02</a4><a5>-1.322503985e-05</a5><a6>8.307307390e-09</a6><a7>-2.010545971e-12</a7><b1>-2.016994845e+04</b1><b2>1.367184876e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>4.049752240e+06</a1><a2>-9.295526820e+03</a2><a3>1.071754366e+01</a3><a4>1.868124220e-03</a4><a5>-1.129820372e-06</a5><a6>1.960250100e-10</a6><a7>-1.144682011e-14</a7><b1>4.133225200e+04</b1><b2>-4.736317600e+01</b2></T_range></specie><specie inp_file_name="SiHF3"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Chase,1998 p1160.</comment><reference>j 6/76</reference><elements><element Si="1" /><element H="1" /><element F="3" /></elements><condensed>False</condensed><molecular_weight>0.0860886496</molecular_weight><hf298.15>-1200808.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>8.325879390e+04</a1><a2>-8.178594460e+02</a2><a3>4.041717240e+00</a3><a4>2.726104628e-02</a4><a5>-3.787831480e-05</a5><a6>2.630589305e-08</a6><a7>-7.289582500e-12</a7><b1>-1.416146961e+05</b1><b2>1.382806532e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>7.820100800e+04</a1><a2>-2.592742261e+03</a2><a3>1.475104214e+01</a3><a4>-6.531047200e-04</a4><a5>1.372428937e-07</a5><a6>-1.516371051e-11</a6><a7>6.832497150e-16</a7><b1>-1.336611887e+05</b1><b2>-5.851450950e+01</b2></T_range></specie><specie inp_file_name="SiHI3"><identification><InChIKey>DNAPJAGHXMPFLD-UHFFFAOYSA-N</InChIKey><canonical_smiles>[SiH](I)(I)I</canonical_smiles><cas_number>13465-72-0</cas_number><IUPAC_name>triiodosilane</IUPAC_name></identification><comment>Chase,1998 p1266.</comment><reference>j12/76</reference><elements><element Si="1" /><element H="1" /><element I="3" /></elements><condensed>False</condensed><molecular_weight>0.40980685</molecular_weight><hf298.15>-74475.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.113840054e+05</a1><a2>-1.974457175e+03</a2><a3>1.791396249e+01</a3><a4>-1.219208519e-02</a4><a5>1.613169233e-05</a5><a6>-1.038096942e-08</a6><a7>2.613287761e-12</a7><b1>-2.256377425e+03</b1><b2>-5.995455130e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>2.279424252e+05</a1><a2>-1.898603142e+03</a2><a3>1.428134804e+01</a3><a4>-4.776026950e-04</a4><a5>1.003097496e-07</a5><a6>-1.107859145e-11</a6><a7>4.990338200e-16</a7><b1>-1.614547674e+03</b1><b2>-4.122943070e+01</b2></T_range></specie><specie inp_file_name="SiH2"><identification><InChIKey>XMIJDTGORVPYLW-UHFFFAOYSA-N</InChIKey><canonical_smiles>[SiH2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>$l^{2}-silane</IUPAC_name></identification><comment>Gurvich,1991 pt1 p260. Fredin,1985. Dubois,1968.</comment><reference>g 3/01</reference><elements><element Si="1" /><element H="2" /></elements><condensed>False</condensed><molecular_weight>0.03010138</molecular_weight><hf298.15>273332.530</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-2.063863564e+04</a1><a2>3.305862200e+02</a2><a3>2.099271145e+00</a3><a4>3.542539370e-03</a4><a5>3.378876670e-06</a5><a6>-5.383845620e-09</a6><a7>2.081191273e-12</a7><b1>3.011784298e+04</b1><b2>1.282333570e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>4.624039370e+06</a1><a2>-1.143436110e+04</a2><a3>1.264880870e+01</a3><a4>9.114899500e-04</a4><a5>-8.766611540e-07</a5><a6>1.646297357e-10</a6><a7>-9.965090370e-15</a7><b1>1.072475101e+05</b1><b2>-6.606078070e+01</b2></T_range></specie><specie inp_file_name="SiH2Br2"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Chase,1998 p481.</comment><reference>j12/76</reference><elements><element Si="1" /><element H="2" /><element Br="2" /></elements><condensed>False</condensed><molecular_weight>0.18990938</molecular_weight><hf298.15>-190372.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.651528003e+05</a1><a2>-2.468145554e+03</a2><a3>1.608639427e+01</a3><a4>-9.413840900e-03</a4><a5>1.407423872e-05</a5><a6>-9.240751450e-09</a6><a7>2.255641666e-12</a7><b1>-1.276482614e+04</b1><b2>-5.945374320e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>5.665851440e+05</a1><a2>-3.973919620e+03</a2><a3>1.567387912e+01</a3><a4>-9.943802290e-04</a4><a5>2.084856022e-07</a5><a6>-2.299521351e-11</a6><a7>1.034736283e-15</a7><b1>-2.990690180e+03</b1><b2>-6.190476520e+01</b2></T_range></specie><specie inp_file_name="SiH2Cl2"><identification><InChIKey>MROCJMGDEKINLD-UHFFFAOYSA-N</InChIKey><canonical_smiles>[SiH2](Cl)Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dichlorosilane</IUPAC_name></identification><comment>Chase,1998 p823.</comment><reference>j12/76</reference><elements><element Si="1" /><element H="2" /><element Cl="2" /></elements><condensed>False</condensed><molecular_weight>0.10100738</molecular_weight><hf298.15>-320494.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.894281754e+05</a1><a2>-2.650960252e+03</a2><a3>1.549874174e+01</a3><a4>-6.533130750e-03</a4><a5>9.306098260e-06</a5><a6>-5.639698670e-09</a6><a7>1.213664264e-12</a7><b1>-2.720912007e+04</b1><b2>-6.006331649e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>5.400204580e+05</a1><a2>-4.062337290e+03</a2><a3>1.573118788e+01</a3><a4>-1.015038389e-03</a4><a5>2.127060243e-07</a5><a6>-2.345079226e-11</a6><a7>1.054871984e-15</a7><b1>-1.823098225e+04</b1><b2>-6.544540499e+01</b2></T_range></specie><specie inp_file_name="SiH2F2"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Chase,1998 p1108.</comment><reference>j 6/76</reference><elements><element Si="1" /><element H="2" /><element F="2" /></elements><condensed>False</condensed><molecular_weight>0.0680981864</molecular_weight><hf298.15>-790776.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.272188427e+05</a1><a2>-1.241724310e+03</a2><a3>4.899435890e+00</a3><a4>2.123882008e-02</a4><a5>-2.725708700e-05</a5><a6>1.860857446e-08</a6><a7>-5.226604330e-12</a7><b1>-8.980466920e+04</b1><b2>-5.111815500e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>4.726534080e+05</a1><a2>-4.388517690e+03</a2><a3>1.596032597e+01</a3><a4>-1.102993658e-03</a4><a5>2.315838331e-07</a5><a6>-2.556974559e-11</a6><a7>1.151499711e-15</a7><b1>-7.316184460e+04</b1><b2>-7.098989270e+01</b2></T_range></specie><specie inp_file_name="SiH2I2"><identification><InChIKey>RNRZLEZABHZRSX-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Si](I)I</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>diiodosilicon</IUPAC_name></identification><comment>Chase,1998 p1313.</comment><reference>j12/76</reference><elements><element Si="1" /><element H="2" /><element I="2" /></elements><condensed>False</condensed><molecular_weight>0.28391032</molecular_weight><hf298.15>-38074.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.539963319e+05</a1><a2>-2.414436989e+03</a2><a3>1.684409354e+01</a3><a4>-1.212037580e-02</a4><a5>1.808453226e-05</a5><a6>-1.207740133e-08</a6><a7>3.040799276e-12</a7><b1>5.073073250e+03</b1><b2>-6.098720820e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>5.942390830e+05</a1><a2>-3.924814480e+03</a2><a3>1.563850289e+01</a3><a4>-9.805706340e-04</a4><a5>2.054871384e-07</a5><a6>-2.265587199e-11</a6><a7>1.019168663e-15</a7><b1>1.513627352e+04</b1><b2>-5.940812520e+01</b2></T_range></specie><specie inp_file_name="SiH3"><identification><InChIKey>OLRJXMHANKMLTD-UHFFFAOYSA-N</InChIKey><canonical_smiles>[SiH3]</canonical_smiles><cas_number>13765-44-1</cas_number><IUPAC_name>$l^{3}-silane</IUPAC_name></identification><comment>Gurvich,1991 pt1 p261 pt2 p236.</comment><reference>g 3/99</reference><elements><element Si="1" /><element H="3" /></elements><condensed>False</condensed><molecular_weight>0.03110932</molecular_weight><hf298.15>204357.366</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>4.341142820e+03</a1><a2>2.277185085e+02</a2><a3>6.508250350e-01</a3><a4>1.221438558e-02</a4><a5>-4.347604270e-06</a5><a6>-1.774916828e-09</a6><a7>1.184191367e-12</a7><b1>2.259993826e+04</b1><b2>1.968347482e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>6.056321220e+05</a1><a2>-4.721254060e+03</a2><a3>1.329129523e+01</a3><a4>-1.256824868e-03</a4><a5>2.688285940e-07</a5><a6>-3.010741582e-11</a6><a7>1.370945857e-15</a7><b1>4.974420640e+04</b1><b2>-6.140503100e+01</b2></T_range></specie><specie inp_file_name="SiH3Br"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Chase,1998 p439.</comment><reference>j12/76</reference><elements><element Si="1" /><element H="3" /><element Br="1" /></elements><condensed>False</condensed><molecular_weight>0.11101332</molecular_weight><hf298.15>-78241.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.521065525e+05</a1><a2>-1.987744479e+03</a2><a3>1.131460743e+01</a3><a4>-1.806099407e-03</a4><a5>7.769262470e-06</a5><a6>-6.233478170e-09</a6><a7>1.585331846e-12</a7><b1>-9.248868880e+02</b1><b2>-3.846463690e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>9.279285780e+05</a1><a2>-5.917935790e+03</a2><a3>1.699209298e+01</a3><a4>-1.487507364e-03</a4><a5>3.123451161e-07</a5><a6>-3.449071470e-11</a6><a7>1.553431675e-15</a7><b1>2.241560128e+04</b1><b2>-7.948611590e+01</b2></T_range></specie><specie inp_file_name="SiH3Cl"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Chase,1998 p764.</comment><reference>j12/76</reference><elements><element Si="1" /><element H="3" /><element Cl="1" /></elements><condensed>False</condensed><molecular_weight>0.06656232</molecular_weight><hf298.15>-141838.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.633388301e+05</a1><a2>-2.030302118e+03</a2><a3>1.068016138e+01</a3><a4>4.942370140e-04</a4><a5>4.305174760e-06</a5><a6>-3.748327270e-09</a6><a7>8.893504210e-13</a7><b1>-8.180714980e+03</b1><b2>-3.688956824e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>9.087780940e+05</a1><a2>-5.958949560e+03</a2><a3>1.702076016e+01</a3><a4>-1.498450667e-03</a4><a5>3.146813781e-07</a5><a6>-3.475168460e-11</a6><a7>1.565281681e-15</a7><b1>1.493793206e+04</b1><b2>-8.127277864e+01</b2></T_range></specie><specie inp_file_name="SiH3F"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Chase,1998 p1058.</comment><reference>j 6/76</reference><elements><element Si="1" /><element H="3" /><element F="1" /></elements><condensed>False</condensed><molecular_weight>0.0501077232</molecular_weight><hf298.15>-376560.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.267836290e+05</a1><a2>-1.177593516e+03</a2><a3>4.499188960e+00</a3><a4>1.658543011e-02</a4><a5>-1.678598921e-05</a5><a6>1.019153931e-08</a6><a7>-2.803920232e-12</a7><b1>-4.010392970e+04</b1><b2>-4.481080920e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>8.624313170e+05</a1><a2>-6.103370570e+03</a2><a3>1.712733597e+01</a3><a4>-1.540724131e-03</a4><a5>3.239628720e-07</a5><a6>-3.581056890e-11</a6><a7>1.614151380e-15</a7><b1>-1.261487616e+04</b1><b2>-8.399227210e+01</b2></T_range></specie><specie inp_file_name="SiH3I"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Chase,1998 p1342.</comment><reference>j12/76</reference><elements><element Si="1" /><element H="3" /><element I="1" /></elements><condensed>False</condensed><molecular_weight>0.15801379</molecular_weight><hf298.15>-2092.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.459384799e+05</a1><a2>-1.982982746e+03</a2><a3>1.196516737e+01</a3><a4>-3.937505950e-03</a4><a5>1.087991733e-05</a5><a6>-8.433135920e-09</a6><a7>2.196078188e-12</a7><b1>8.063208310e+03</b1><b2>-4.064553320e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>9.361149180e+05</a1><a2>-5.859720290e+03</a2><a3>1.695376698e+01</a3><a4>-1.473497130e-03</a4><a5>3.094475885e-07</a5><a6>-3.417462470e-11</a6><a7>1.539334807e-15</a7><b1>3.127499231e+04</b1><b2>-7.801700080e+01</b2></T_range></specie><specie inp_file_name="SiH4"><identification><InChIKey>BLRPTPMANUNPDV-UHFFFAOYSA-N</InChIKey><canonical_smiles>[SiH4]</canonical_smiles><cas_number>50808-20-3</cas_number><IUPAC_name>silane</IUPAC_name></identification><comment>Silane. Gurvich,1991 pt1 p263 pt 2 p237.</comment><reference>tpis91</reference><elements><element Si="1" /><element H="4" /></elements><condensed>False</condensed><molecular_weight>0.03211726</molecular_weight><hf298.15>34700.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>7.872993290e+04</a1><a2>-5.526087050e+02</a2><a3>2.498944303e+00</a3><a4>1.442118274e-02</a4><a5>-8.467107310e-06</a5><a6>2.726164641e-09</a6><a7>-5.436754370e-13</a7><b1>6.269669060e+03</b1><b2>4.965461830e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.290378740e+06</a1><a2>-7.813399780e+03</a2><a3>1.828851664e+01</a3><a4>-1.975620946e-03</a4><a5>4.156502150e-07</a5><a6>-4.596745610e-11</a6><a7>2.072777131e-15</a7><b1>4.766887950e+04</b1><b2>-9.801697460e+01</b2></T_range></specie><specie inp_file_name="SiI"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1991 pt1 p284 pt2 p253.</comment><reference>tpis91</reference><elements><element Si="1" /><element I="1" /></elements><condensed>False</condensed><molecular_weight>0.15498997</molecular_weight><hf298.15>262953.420</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>9.492081340e+04</a1><a2>-1.573960062e+03</a2><a3>1.237908109e+01</a3><a4>-1.593864820e-02</a4><a5>1.692049005e-05</a5><a6>-9.215558320e-09</a6><a7>2.046186848e-12</a7><b1>3.779735670e+04</b1><b2>-4.066407850e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>8.529402790e+05</a1><a2>-2.442039471e+03</a2><a3>7.722977520e+00</a3><a4>-1.985601243e-03</a4><a5>6.542866630e-07</a5><a6>-9.494158290e-11</a6><a7>4.890041370e-15</a7><b1>4.578160940e+04</b1><b2>-1.733975081e+01</b2></T_range></specie><specie inp_file_name="SiI2"><identification><InChIKey>RNRZLEZABHZRSX-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Si](I)I</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>diiodosilicon</IUPAC_name></identification><comment>Chase,1998 p1432.</comment><reference>j12/76</reference><elements><element Si="1" /><element I="2" /></elements><condensed>False</condensed><molecular_weight>0.28189443999999997</molecular_weight><hf298.15>92466.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.163352403e+04</a1><a2>-4.514482170e+02</a2><a3>8.707978130e+00</a3><a4>-3.580664930e-03</a4><a5>4.253714430e-06</a5><a6>-2.673478266e-09</a6><a7>6.891558980e-13</a7><b1>1.126247142e+04</b1><b2>-1.155818335e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.002168907e+04</a1><a2>1.433017148e+01</a2><a3>6.701330550e+00</a3><a4>3.960769900e-04</a4><a5>-2.073866165e-07</a5><a6>4.553457100e-11</a6><a7>-3.016798280e-15</a7><b1>9.007368100e+03</b1><b2>2.887336913e-01</b2></T_range></specie><specie inp_file_name="SiN"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1991 pt1 p295 pt2 p261.</comment><reference>g 5/99</reference><elements><element Si="1" /><element N="1" /></elements><condensed>False</condensed><molecular_weight>0.042092199999999996</molecular_weight><hf298.15>403668.437</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.464672152e+04</a1><a2>1.374993497e+02</a2><a3>3.678508580e+00</a3><a4>-6.158499200e-03</a4><a5>2.309417067e-05</a5><a6>-2.294461481e-08</a6><a7>7.395665680e-12</a7><b1>4.673212990e+04</b1><b2>6.494564115e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.932685132e+06</a1><a2>5.853688590e+03</a2><a3>1.321451677e+00</a3><a4>1.258329284e-03</a4><a5>-3.773886360e-07</a5><a6>6.887761040e-11</a6><a7>-4.189842590e-15</a7><b1>6.527148810e+03</b1><b2>2.553145732e+01</b2></T_range></specie><specie inp_file_name="SiO"><identification><InChIKey>LIVNPJMFVYWSIS-UHFFFAOYSA-N</InChIKey><canonical_smiles>[O+]#[Si-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>oxoniumylidynesilanide</IUPAC_name></identification><comment>Gurvich,1991 pt1 p247 pt2 p227</comment><reference>tpis91</reference><elements><element Si="1" /><element O="1" /></elements><condensed>False</condensed><molecular_weight>0.044084899999999996</molecular_weight><hf298.15>-98842.418</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-4.722771050e+04</a1><a2>8.063137640e+02</a2><a3>-1.636976133e+00</a3><a4>1.454275546e-02</a4><a5>-1.723202046e-05</a5><a6>1.042397340e-08</a6><a7>-2.559365273e-12</a7><b1>-1.666585903e+04</b1><b2>3.355795700e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.765134162e+05</a1><a2>-3.199177090e+01</a2><a3>4.477441930e+00</a3><a4>4.591764710e-06</a4><a5>3.558143150e-08</a5><a6>-1.327012559e-11</a6><a7>1.613253297e-15</a7><b1>-1.350842360e+04</b1><b2>-8.386957330e-01</b2></T_range></specie><specie inp_file_name="SiO2"><identification><InChIKey>VYPSYNLAJGMNEJ-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[Si]=O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dioxosilane</IUPAC_name></identification><comment>Gurvich,1991 pt1 p256 pt2 p233.</comment><reference>tpis91</reference><elements><element Si="1" /><element O="2" /></elements><condensed>False</condensed><molecular_weight>0.0600843</molecular_weight><hf298.15>-322073.477</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-3.362948780e+04</a1><a2>4.734078920e+02</a2><a3>2.309770671e-01</a3><a4>1.850230806e-02</a4><a5>-2.242786671e-05</a5><a6>1.364981554e-08</a6><a7>-3.351935030e-12</a7><b1>-4.226487490e+04</b1><b2>2.295803206e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.464031193e+05</a1><a2>-6.261441060e+02</a2><a3>7.964563710e+00</a3><a4>-1.854119096e-04</a4><a5>4.095214670e-08</a5><a6>-4.697206760e-12</a6><a7>2.178054280e-16</a7><b1>-3.791834770e+04</b1><b2>-2.045285414e+01</b2></T_range></specie><specie inp_file_name="SiS"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1991 pt1 p290 pt2 p258.</comment><reference>tpis91</reference><elements><element Si="1" /><element S="1" /></elements><condensed>False</condensed><molecular_weight>0.0601505</molecular_weight><hf298.15>108194.407</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>3.599449290e+04</a1><a2>-4.239723300e+02</a2><a3>4.654014420e+00</a3><a4>1.588470782e-03</a4><a5>-3.310254360e-06</a5><a6>2.706096479e-09</a6><a7>-8.113517820e-13</a7><b1>1.411515571e+04</b1><b2>-1.183201858e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.102323897e+06</a1><a2>6.228836180e+03</a2><a3>-3.004120882e+00</a3><a4>4.495499930e-03</a4><a5>-1.368821364e-06</a5><a6>1.998097253e-10</a6><a7>-9.882035800e-15</a7><b1>-2.795538166e+04</b1><b2>5.405828786e+01</b2></T_range></specie><specie inp_file_name="SiS2"><identification><InChIKey>KHDSWONFYIAAPE-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Si](=S)=S</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>bis(sulfanylidene)silane</IUPAC_name></identification><comment>Gurvich,1991 pt1 p294 pt2 p260.</comment><reference>tpis91</reference><elements><element Si="1" /><element S="2" /></elements><condensed>False</condensed><molecular_weight>0.0922155</molecular_weight><hf298.15>7022.717</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>4.397745660e+04</a1><a2>-7.430013120e+02</a2><a3>7.941588360e+00</a3><a4>2.038083730e-03</a4><a5>-4.646337600e-06</a5><a6>3.848014360e-09</a6><a7>-1.157260149e-12</a7><b1>2.801077853e+03</b1><b2>-1.736888325e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.266489071e+05</a1><a2>-9.774235220e+01</a2><a3>7.572803680e+00</a3><a4>-2.905413928e-05</a4><a5>6.405587840e-09</a5><a6>-7.329273340e-13</a6><a7>3.389819780e-17</a7><b1>-1.244672263e+03</b1><b2>-1.352710463e+01</b2></T_range></specie><specie inp_file_name="Si2"><identification><InChIKey>NTQGILPNLZZOJH-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Si][Si]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>$l^{1}-silanylsilicon</IUPAC_name></identification><comment>Gurvich,1991 pt1 p240 pt2 p225.</comment><reference>tpis91</reference><elements><element Si="2" /></elements><condensed>False</condensed><molecular_weight>0.056171</molecular_weight><hf298.15>580195.524</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.237596221e+04</a1><a2>-1.024904376e+02</a2><a3>4.354848520e+00</a3><a4>1.281063335e-03</a4><a5>-2.531991623e-06</a5><a6>2.265694244e-09</a6><a7>-7.001290140e-13</a7><b1>6.906942850e+04</b1><b2>3.251125200e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.370060657e+06</a1><a2>-4.207060040e+03</a2><a3>9.337432890e+00</a3><a4>-2.749217168e-03</a4><a5>9.586345960e-07</a5><a6>-1.372449748e-10</a6><a7>6.765028100e-15</a7><b1>9.510884540e+04</b1><b2>-3.168385190e+01</b2></T_range></specie><specie inp_file_name="Si2C"><identification><InChIKey>UHWJBUHEONRYRE-UHFFFAOYSA-N</InChIKey><canonical_smiles>C(=[Si])=[Si]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>$l^{2}-silanylidenemethylidenesilicon</IUPAC_name></identification><comment>Gurvich,1991 pt1 p304 pt2 p267.</comment><reference>tpis91</reference><elements><element Si="2" /><element C="1" /></elements><condensed>False</condensed><molecular_weight>0.06818170000000001</molecular_weight><hf298.15>554093.904</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-4.553366200e+03</a1><a2>1.314796415e+02</a2><a3>2.469106923e+00</a3><a4>1.276520680e-02</a4><a5>-1.656910776e-05</a5><a6>1.065289663e-08</a6><a7>-2.739192976e-12</a7><b1>6.470049920e+04</b1><b2>1.468838980e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.253829442e+05</a1><a2>-3.414277790e+02</a2><a3>7.254365330e+00</a3><a4>-1.017635503e-04</a4><a5>2.250902158e-08</a5><a6>-2.584074852e-12</a6><a7>1.198884876e-16</a7><b1>6.608009380e+04</b1><b2>-1.146216579e+01</b2></T_range></specie><specie inp_file_name="Si2F6"><identification><InChIKey>SDNBGJALFMSQER-UHFFFAOYSA-N</InChIKey><canonical_smiles>F[Si](F)(F)[Si](F)(F)F</canonical_smiles><cas_number>13830-68-7</cas_number><IUPAC_name>trifluoro(trifluorosilyl)silane</IUPAC_name></identification><comment>Lyman,2001.</comment><reference>g 6/01</reference><elements><element Si="2" /><element F="6" /></elements><condensed>False</condensed><molecular_weight>0.17016141920000002</molecular_weight><hf298.15>-2383290.080</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.580767450e+04</a1><a2>-2.975292881e+02</a2><a3>7.512591500e+00</a3><a4>4.552796230e-02</a4><a5>-6.421876840e-05</a5><a6>4.357408730e-08</a6><a7>-1.166762282e-11</a7><b1>-2.886707444e+05</b1><b2>-7.721784770e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-9.186303140e+05</a1><a2>1.573948683e+02</a2><a3>2.141256129e+01</a3><a4>-2.681898667e-04</a4><a5>7.212280110e-08</a5><a6>-9.184252660e-12</a6><a7>4.537238360e-16</a7><b1>-2.966176753e+05</b1><b2>-7.849022470e+01</b2></T_range></specie><specie inp_file_name="Si2N"><identification><InChIKey>ZEOKOZHVWNEEKS-UHFFFAOYSA-N</InChIKey><canonical_smiles>[N]([Si])[Si]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>($l^{1}-silanyl-$l^{2}-azanyl)silicon</IUPAC_name></identification><comment>Chase,1998 p1611.</comment><reference>j 3/67</reference><elements><element Si="2" /><element N="1" /></elements><condensed>False</condensed><molecular_weight>0.0701777</molecular_weight><hf298.15>397480.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>2.318271938e+04</a1><a2>-3.674843790e+02</a2><a3>5.409658600e+00</a3><a4>8.176389400e-03</a4><a5>-1.220312934e-05</a5><a6>8.580609100e-09</a6><a7>-2.354927059e-12</a7><b1>4.809278030e+04</b1><b2>-3.042205654e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.805026986e+05</a1><a2>2.502366876e+02</a2><a3>7.092456100e+00</a3><a4>2.853120795e-04</a4><a5>-9.792101810e-08</a5><a6>1.552154244e-11</a6><a7>-8.036260450e-16</a7><b1>4.342014790e+04</b1><b2>-1.009570910e+01</b2></T_range></specie><specie inp_file_name="Si3"><identification><InChIKey>YBILFZWSTSXODU-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Si]=[Si]=[Si]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>$l^{2}-silanylidenesilylidenesilicon</IUPAC_name></identification><comment>Gurvich,1991 pt1 p246 pt2 p226.</comment><reference>g 7/95</reference><elements><element Si="3" /></elements><condensed>False</condensed><molecular_weight>0.0842565</molecular_weight><hf298.15>627867.381</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.114208177e+04</a1><a2>1.575785843e+02</a2><a3>2.486135003e+00</a3><a4>1.631637255e-02</a4><a5>-2.208240021e-05</a5><a6>1.372008287e-08</a6><a7>-3.262330700e-12</a7><b1>7.328253850e+04</b1><b2>1.588081347e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.699395561e+06</a1><a2>4.697815380e+03</a2><a3>2.618198124e+00</a3><a4>1.959082075e-03</a4><a5>-2.581160603e-07</a5><a6>6.103444860e-12</a6><a7>6.086309240e-16</a7><b1>4.277916810e+04</b1><b2>2.586540384e+01</b2></T_range></specie><specie inp_file_name="Sn"><identification><InChIKey>ATJFFYVFTNAWJD-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Sn]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>tin</IUPAC_name></identification><comment>Hf:Cox,1989. Moore,1971. Gordon,1999.</comment><reference>g 7/97</reference><elements><element Sn="1" /></elements><condensed>False</condensed><molecular_weight>0.11871</molecular_weight><hf298.15>301200.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.248692263e+05</a1><a2>1.618841190e+03</a2><a3>-4.602397350e+00</a3><a4>1.045433308e-02</a4><a5>2.998265550e-06</a5><a6>-1.068699386e-08</a6><a7>4.323421310e-12</a7><b1>2.748364008e+04</b1><b2>4.805067230e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-5.145695640e+06</a1><a2>1.140575108e+04</a2><a3>-4.179632060e+00</a3><a4>2.236390679e-03</a4><a5>-3.603219770e-07</a5><a6>2.440237836e-11</a6><a7>-2.937628285e-16</a7><b1>-4.215013570e+04</b1><b2>5.981450930e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>-1.119787114e+09</a1><a2>6.427046040e+05</a2><a3>-1.378615913e+02</a3><a4>1.453867222e-02</a4><a5>-7.109586030e-07</a5><a6>1.501409263e-11</a6><a7>-8.940758657e-17</a7><b1>-5.111296870e+06</b1><b2>1.245625545e+03</b2></T_range></specie><specie inp_file_name="Sn+"><identification><InChIKey>ATJFFYVFTNAWJD-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Sn]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>tin</IUPAC_name></identification><comment>Moore,1971. Gordon,1999.</comment><reference>g 7/97</reference><elements><element Sn="1" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.11870945140000001</molecular_weight><hf298.15>1015949.928</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>-5.571297780e+03</a1><a2>1.222323189e+02</a2><a3>1.566361415e+00</a3><a4>3.397061410e-03</a4><a5>-6.312922290e-06</a5><a6>5.585452080e-09</a6><a7>-1.689021340e-12</a7><b1>1.209024120e+05</b1><b2>1.162634765e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>4.622916850e+06</a1><a2>-1.185958712e+04</a2><a3>1.237026473e+01</a3><a4>-2.773624217e-03</a4><a5>3.098513490e-07</a5><a6>-5.362951440e-12</a6><a7>-8.663474691e-16</a7><b1>1.994322977e+05</b1><b2>-6.837108280e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>1.913728057e+08</a1><a2>-1.145730242e+05</a2><a3>3.070294184e+01</a3><a4>-3.387878800e-03</a4><a5>1.966377351e-07</a5><a6>-4.388396290e-12</a6><a7>2.057062343e-17</a7><b1>1.031631149e+06</b1><b2>-2.370157923e+02</b2></T_range></specie><specie inp_file_name="Sn-"><identification><InChIKey>ATJFFYVFTNAWJD-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Sn]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>tin</IUPAC_name></identification><comment>Hotop,1985. Gordon,1999.</comment><reference>g 9/97</reference><elements><element Sn="1" /><element E="1" /></elements><condensed>False</condensed><molecular_weight>0.1187105486</molecular_weight><hf298.15>179495.949</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>2.722796000e+05</a1><a2>-3.369935800e+03</a2><a3>1.743906405e+01</a3><a4>-2.810527618e-02</a4><a5>2.790684767e-05</a5><a6>-1.442400675e-08</a6><a7>3.070159757e-12</a7><b1>3.753227750e+04</b1><b2>-8.007856970e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-6.447713220e+04</a1><a2>7.430555100e+02</a2><a3>1.921380256e+00</a3><a4>2.361623997e-04</a4><a5>-5.280668360e-08</a5><a6>6.102339380e-12</a6><a7>-2.843422486e-16</a7><b1>1.645739414e+04</b1><b2>1.265436865e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>-1.314284778e+06</a1><a2>8.972354270e+02</a2><a3>2.302354538e+00</a3><a4>2.246840970e-05</a4><a5>-1.392571963e-09</a5><a6>4.468904450e-14</a6><a7>-5.811846560e-19</a7><b1>1.428800599e+04</b1><b2>1.004933765e+01</b2></T_range></specie><specie inp_file_name="SnBr"><identification><InChIKey>JUKPDEXHVDDKNE-UHFFFAOYSA-M</InChIKey><canonical_smiles>[Br-].[Sn+4]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>tin(4+);bromide</IUPAC_name></identification><comment>Gurvich,1991 pt1 p378 pt2 p321.</comment><reference>tpis91</reference><elements><element Sn="1" /><element Br="1" /></elements><condensed>False</condensed><molecular_weight>0.198614</molecular_weight><hf298.15>75644.020</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>2.564193542e+04</a1><a2>-5.259122330e+02</a2><a3>7.687410690e+00</a3><a4>-9.654205420e-03</a4><a5>1.482863248e-05</a5><a6>-9.942236980e-09</a6><a7>2.475051091e-12</a7><b1>1.020483889e+04</b1><b2>-1.126550396e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.815578541e+06</a1><a2>-6.728264580e+03</a2><a3>1.332464516e+01</a3><a4>-4.608102300e-03</a4><a5>1.236439537e-06</a5><a6>-1.528863587e-10</a6><a7>6.971513500e-15</a7><b1>4.925583090e+04</b1><b2>-5.640962780e+01</b2></T_range></specie><specie inp_file_name="SnBr2"><identification><InChIKey>ZSUXOVNWDZTCFN-UHFFFAOYSA-L</InChIKey><canonical_smiles>Br[Sn]Br</canonical_smiles><cas_number>10031-24-0</cas_number><IUPAC_name>dibromotin</IUPAC_name></identification><comment>Gurvich,1991 pt1 p380 pt2 p323.</comment><reference>tpis91</reference><elements><element Sn="1" /><element Br="2" /></elements><condensed>False</condensed><molecular_weight>0.278518</molecular_weight><hf298.15>-118974.592</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-4.995753060e+03</a1><a2>-1.366498896e+02</a2><a3>7.543563850e+00</a3><a4>-1.181772507e-03</a4><a5>1.442445852e-06</a5><a6>-9.254217260e-10</a6><a7>2.423731634e-13</a7><b1>-1.575506969e+04</b1><b2>-3.595584020e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.940894091e+04</a1><a2>-2.335607932e+00</a2><a3>7.001969260e+00</a3><a4>-8.622241870e-07</a4><a5>2.039869794e-10</a5><a6>-2.464780359e-14</a6><a7>1.189850894e-18</a7><b1>-1.644828122e+04</b1><b2>-4.349354750e-01</b2></T_range></specie><specie inp_file_name="SnBr3"><identification><InChIKey>GCNRYAJPUSPAAT-UHFFFAOYSA-K</InChIKey><canonical_smiles>Br[Sn-](Br)Br</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>tribromostannanide</IUPAC_name></identification><comment>Gurvich,1991 pt1 p381 pt2 p324.</comment><reference>tpis91</reference><elements><element Sn="1" /><element Br="3" /></elements><condensed>False</condensed><molecular_weight>0.358422</molecular_weight><hf298.15>-158716.446</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-8.050416470e+03</a1><a2>-2.897962523e+02</a2><a3>1.114443355e+01</a3><a4>-2.475383807e-03</a4><a5>3.010051350e-06</a5><a6>-1.925695320e-09</a6><a7>5.032605090e-13</a7><b1>-2.070066649e+04</b1><b2>-1.895965383e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-3.893004530e+04</a1><a2>-4.990844170e+00</a2><a3>1.000418437e+01</a3><a4>-1.824996910e-06</a4><a5>4.305646660e-10</a5><a6>-5.191887930e-14</a6><a7>2.502455595e-18</a7><b1>-2.217299473e+04</b1><b2>-1.229854098e+01</b2></T_range></specie><specie inp_file_name="SnBr4"><identification><InChIKey>LTSUHJWLSNQKIP-UHFFFAOYSA-J</InChIKey><canonical_smiles>Br[Sn](Br)(Br)Br</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>tetrabromostannane</IUPAC_name></identification><comment>Gurvich,1991 pt1 p384 pt2 p326.</comment><reference>tpis91</reference><elements><element Sn="1" /><element Br="4" /></elements><condensed>False</condensed><molecular_weight>0.43832600000000005</molecular_weight><hf298.15>-324216.982</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-5.832840920e+03</a1><a2>-4.270198470e+02</a2><a3>1.467466525e+01</a3><a4>-3.604263230e-03</a4><a5>4.366686290e-06</a5><a6>-2.785875130e-09</a6><a7>7.265087870e-13</a7><b1>-4.082916450e+04</b1><b2>-3.447104360e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-5.176812920e+04</a1><a2>-7.426126950e+00</a2><a3>1.300619502e+01</a3><a4>-2.692587978e-06</a4><a5>6.336759800e-10</a5><a6>-7.627087190e-14</a6><a7>3.671112000e-18</a7><b1>-4.300166340e+04</b1><b2>-2.471455118e+01</b2></T_range></specie><specie inp_file_name="SnCl"><identification><InChIKey>WCTXJBYIXVVFCF-UHFFFAOYSA-M</InChIKey><canonical_smiles>Cl[Sn]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>chlorotin</IUPAC_name></identification><comment>Gurvich,1991 pt1 p370 pt2 p315.</comment><reference>tpis91</reference><elements><element Sn="1" /><element Cl="1" /></elements><condensed>False</condensed><molecular_weight>0.15416300000000002</molecular_weight><hf298.15>34658.816</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>3.351549730e+04</a1><a2>-6.832208620e+02</a2><a3>8.393917730e+00</a3><a4>-1.164434373e-02</a4><a5>1.812159499e-05</a5><a6>-1.261999170e-08</a6><a7>3.295213470e-12</a7><b1>6.051790890e+03</b1><b2>-1.667834578e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>7.741605680e+05</a1><a2>-3.602048480e+03</a2><a3>9.749059820e+00</a3><a4>-2.596198909e-03</a4><a5>6.367712160e-07</a5><a6>-6.754295570e-11</a6><a7>2.484167602e-15</a7><b1>2.442447662e+04</b1><b2>-3.225454098e+01</b2></T_range></specie><specie inp_file_name="SnCl2"><identification><InChIKey>AXZWODMDQAVCJE-UHFFFAOYSA-L</InChIKey><canonical_smiles>Cl[Sn]Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dichlorotin</IUPAC_name></identification><comment>Gurvich,1991 pt1 p373 pt2 p317.</comment><reference>tpis91</reference><elements><element Sn="1" /><element Cl="2" /></elements><condensed>False</condensed><molecular_weight>0.189616</molecular_weight><hf298.15>-202648.283</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>9.524665900e+03</a1><a2>-4.329845640e+02</a2><a3>8.644720280e+00</a3><a4>-3.458409610e-03</a4><a5>4.117852030e-06</a5><a6>-2.592639269e-09</a6><a7>6.692363600e-13</a7><b1>-2.432921127e+04</b1><b2>-1.299143851e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-3.903588490e+04</a1><a2>-7.947962680e+00</a2><a3>7.006487620e+00</a3><a4>-2.776594714e-06</a4><a5>6.461341420e-10</a5><a6>-7.119067400e-15</a6><a7>3.688131180e-18</a7><b1>-2.654529653e+04</b1><b2>-3.368081174e+00</b2></T_range></specie><specie inp_file_name="SnCl3"><identification><InChIKey>YSCVYRUCAPMZFG-UHFFFAOYSA-K</InChIKey><canonical_smiles>Cl[Sn](Cl)Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>trichlorotin</IUPAC_name></identification><comment>Gurvich,1991 pt1 p374 pt2 p318.</comment><reference>tpis91</reference><elements><element Sn="1" /><element Cl="3" /></elements><condensed>False</condensed><molecular_weight>0.225069</molecular_weight><hf298.15>-292372.455</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.760076813e+04</a1><a2>-8.142805480e+02</a2><a3>1.306326984e+01</a3><a4>-6.395596190e-03</a4><a5>7.574624570e-06</a5><a6>-4.749711460e-09</a6><a7>1.222182656e-12</a7><b1>-3.413430960e+04</b1><b2>-3.457679670e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-7.482966400e+04</a1><a2>-1.528523914e+01</a2><a3>1.001240305e+01</a3><a4>-5.285581240e-06</a4><a5>1.226095111e-09</a5><a6>-1.459895108e-13</a6><a7>6.968879780e-18</a7><b1>-3.830878270e+04</b1><b2>-1.663063137e+01</b2></T_range></specie><specie inp_file_name="SnCl4"><identification><InChIKey>HPGGPRDJHPYFRM-UHFFFAOYSA-J</InChIKey><canonical_smiles>Cl[Sn](Cl)(Cl)Cl</canonical_smiles><cas_number>7646-78-8</cas_number><IUPAC_name>tetrachlorostannane</IUPAC_name></identification><comment>Gurvich,1991 pt1 p376 pt2 p320.</comment><reference>tpis91</reference><elements><element Sn="1" /><element Cl="4" /></elements><condensed>False</condensed><molecular_weight>0.260522</molecular_weight><hf298.15>-478465.969</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>4.245967870e+04</a1><a2>-1.280574318e+03</a2><a3>1.768445328e+01</a3><a4>-9.574779520e-03</a4><a5>1.115620323e-05</a5><a6>-6.907229270e-09</a6><a7>1.759652856e-12</a7><b1>-5.504009040e+04</b1><b2>-5.827352999e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.078336862e+05</a1><a2>-2.554305872e+01</a2><a3>1.302040391e+01</a3><a4>-8.595125900e-06</a4><a5>1.976570888e-09</a5><a6>-2.337929994e-13</a6><a7>1.110287624e-17</a7><b1>-6.163562030e+04</b1><b2>-3.072702622e+01</b2></T_range></specie><specie inp_file_name="SnF"><identification><InChIKey>ZULTVNRFZRQYKL-UHFFFAOYSA-M</InChIKey><canonical_smiles>F[Sn]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>fluorotin</IUPAC_name></identification><comment>Gurvich,1991 pt1 p365 pt2 p310.</comment><reference>tpis91</reference><elements><element Sn="1" /><element F="1" /></elements><condensed>False</condensed><molecular_weight>0.1377084032</molecular_weight><hf298.15>-95017.090</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>6.098503520e+04</a1><a2>-9.860306290e+02</a2><a3>8.994731210e+00</a3><a4>-1.223012156e-02</a4><a5>1.840583578e-05</a5><a6>-1.267926607e-08</a6><a7>3.291331020e-12</a7><b1>-7.882614480e+03</b1><b2>-2.221921734e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>2.589715476e+04</a1><a2>-1.484478214e+03</a2><a3>7.378518930e+00</a3><a4>-1.324244440e-03</a4><a5>2.847634043e-07</a5><a6>-2.360371345e-11</a6><a7>6.116783710e-16</a7><b1>-4.776688970e+03</b1><b2>-1.681202516e+01</b2></T_range></specie><specie inp_file_name="SnF2"><identification><InChIKey>ANOBYBYXJXCGBS-UHFFFAOYSA-L</InChIKey><canonical_smiles>F[Sn]F</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>difluorotin</IUPAC_name></identification><comment>Gurvich,1991 pt1 p368 pt2 p312.</comment><reference>tpis91</reference><elements><element Sn="1" /><element F="2" /></elements><condensed>False</condensed><molecular_weight>0.1567068064</molecular_weight><hf298.15>-510956.951</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>7.042391850e+04</a1><a2>-1.137505955e+03</a2><a3>1.008659352e+01</a3><a4>-4.722855930e-03</a4><a5>4.135702920e-06</a5><a6>-1.921143972e-09</a6><a7>3.640760280e-13</a7><b1>-5.756670820e+04</b1><b2>-2.571566624e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.027758772e+05</a1><a2>-4.451751620e+01</a2><a3>7.033268760e+00</a3><a4>-1.329882797e-05</a4><a5>2.934271938e-09</a5><a6>-3.358415920e-13</a6><a7>1.553358669e-17</a7><b1>-6.362125880e+04</b1><b2>-6.810084520e+00</b2></T_range></specie><specie inp_file_name="SnF3"><identification><InChIKey>XBCHABSFGCRJPU-UHFFFAOYSA-K</InChIKey><canonical_smiles>F[Sn](F)F</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>trifluorotin</IUPAC_name></identification><comment>Gurvich,1991 pt1 p369 pt2 p313.</comment><reference>tpis91</reference><elements><element Sn="1" /><element F="3" /></elements><condensed>False</condensed><molecular_weight>0.1757052096</molecular_weight><hf298.15>-646630.479</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.095555529e+05</a1><a2>-1.950557979e+03</a2><a3>1.541407832e+01</a3><a4>-8.546518770e-03</a4><a5>7.800551820e-06</a5><a6>-3.825942220e-09</a6><a7>7.787747760e-13</a7><b1>-7.056794920e+04</b1><b2>-5.494639480e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.829319689e+05</a1><a2>-7.557358680e+01</a2><a3>1.005671455e+01</a3><a4>-2.275132668e-05</a4><a5>5.034695820e-09</a5><a6>-5.776530960e-13</a6><a7>2.677214170e-17</a7><b1>-8.091897590e+04</b1><b2>-2.191673972e+01</b2></T_range></specie><specie inp_file_name="SnF4"><identification><InChIKey>YUOWTJMRMWQJDA-UHFFFAOYSA-J</InChIKey><canonical_smiles>[F-].[F-].[F-].[F-].[Sn+4]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>tin(4+);tetrafluoride</IUPAC_name></identification><comment>Gurvich,1991 pt1 p369 pt2 p314.</comment><reference>tpis91</reference><elements><element Sn="1" /><element F="4" /></elements><condensed>False</condensed><molecular_weight>0.1947036128</molecular_weight><hf298.15>-1024766.717</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.390441119e+05</a1><a2>-2.168784371e+03</a2><a3>1.691802917e+01</a3><a4>-2.318608529e-03</a4><a5>-2.045847976e-06</a5><a6>3.430087900e-09</a6><a7>-1.289228860e-12</a7><b1>-1.153563396e+05</b1><b2>-6.370604750e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.635692764e+05</a1><a2>-1.445469969e+02</a2><a3>1.310690681e+01</a3><a4>-4.237755790e-05</a4><a5>9.286871950e-09</a5><a6>-1.057062694e-12</a6><a7>4.867108680e-17</a7><b1>-1.271539967e+05</b1><b2>-3.803921900e+01</b2></T_range></specie><specie inp_file_name="SnI"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1991 pt1 p384 pt2 p327.</comment><reference>tpis91</reference><elements><element Sn="1" /><element I="1" /></elements><condensed>False</condensed><molecular_weight>0.24561447</molecular_weight><hf298.15>172725.022</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>2.670212235e+04</a1><a2>-5.006026350e+02</a2><a3>7.490673150e+00</a3><a4>-8.746346550e-03</a4><a5>1.289688397e-05</a5><a6>-8.211344930e-09</a6><a7>1.936120475e-12</a7><b1>2.177249172e+04</b1><b2>-9.354806850e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-5.554991850e+04</a1><a2>-1.530457453e+03</a2><a3>7.932601390e+00</a3><a4>-2.108885464e-03</a4><a5>7.809803600e-07</a5><a6>-1.348104887e-10</a6><a7>8.207184700e-15</a7><b1>2.744864953e+04</b1><b2>-1.626822892e+01</b2></T_range></specie><specie inp_file_name="SnI2"><identification><InChIKey>JTDNNCYXCFHBGG-UHFFFAOYSA-L</InChIKey><canonical_smiles>[Sn](I)I</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>diiodotin</IUPAC_name></identification><comment>Gurvich,1991 pt1 p387 pt2 p329.</comment><reference>tpis91</reference><elements><element Sn="1" /><element I="2" /></elements><condensed>False</condensed><molecular_weight>0.37251893999999997</molecular_weight><hf298.15>-8066.737</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-5.739254890e+03</a1><a2>-9.435024450e+01</a2><a3>7.377956660e+00</a3><a4>-8.258348940e-04</a4><a5>1.011687040e-06</a5><a6>-6.508451600e-10</a6><a7>1.708186600e-13</a7><b1>-2.622644500e+03</b1><b2>-9.605814960e-01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.559453390e+04</a1><a2>-1.594789414e+00</a2><a3>7.001351160e+00</a3><a4>-5.935324240e-07</a4><a5>1.407432564e-10</a5><a6>-1.703457321e-14</a6><a7>8.233611710e-19</a7><b1>-3.100608319e+03</b1><b2>1.235038509e+00</b2></T_range></specie><specie inp_file_name="SnI3"><identification><InChIKey>RXIPDYWYBPPFSI-UHFFFAOYSA-K</InChIKey><canonical_smiles>[Sn](I)(I)I</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>triiodotin</IUPAC_name></identification><comment>Gurvich,1991 pt1 p388 pt2 p330.</comment><reference>tpis91</reference><elements><element Sn="1" /><element I="3" /></elements><condensed>False</condensed><molecular_weight>0.49942341</molecular_weight><hf298.15>-8017.540</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.069978099e+04</a1><a2>-1.387693540e+02</a2><a3>1.055637633e+01</a3><a4>-1.216435658e-03</a4><a5>1.490873499e-06</a5><a6>-9.594499630e-10</a6><a7>2.518810438e-13</a7><b1>-3.314229880e+03</b1><b2>-1.249558209e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.517534870e+04</a1><a2>-2.348282890e+00</a2><a3>1.000199130e+01</a3><a4>-8.752764840e-07</a4><a5>2.076464980e-10</a5><a6>-2.514060336e-14</a6><a7>1.215482266e-18</a7><b1>-4.017055610e+03</b1><b2>-9.263908460e+00</b2></T_range></specie><specie inp_file_name="SnI4"><identification><InChIKey>QPBYLOWPSRZOFX-UHFFFAOYSA-J</InChIKey><canonical_smiles>[Sn](I)(I)(I)I</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>tetraiodostannane</IUPAC_name></identification><comment>Gurvich,1991 pt1 p391 pt2 p332.</comment><reference>tpis91</reference><elements><element Sn="1" /><element I="4" /></elements><condensed>False</condensed><molecular_weight>0.6263278800000001</molecular_weight><hf298.15>-118854.043</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.283146793e+04</a1><a2>-1.459885093e+02</a2><a3>1.358634885e+01</a3><a4>-1.283554646e-03</a4><a5>1.574557147e-06</a5><a6>-1.013990168e-09</a6><a7>2.663370430e-13</a7><b1>-1.751178045e+04</b1><b2>-2.367973168e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.801840706e+04</a1><a2>-2.474699366e+00</a2><a3>1.300210215e+01</a3><a4>-9.250962340e-07</a4><a5>2.196515817e-10</a5><a6>-2.661071614e-14</a6><a7>1.287167546e-18</a7><b1>-1.825083832e+04</b1><b2>-2.027484281e+01</b2></T_range></specie><specie inp_file_name="SnO"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1991 pt1 p359 pt2 p307.</comment><reference>tpis91</reference><elements><element Sn="1" /><element O="1" /></elements><condensed>False</condensed><molecular_weight>0.13470939999999998</molecular_weight><hf298.15>21911.054</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>2.547788022e+04</a1><a2>-2.293583066e+02</a2><a3>3.421593530e+00</a3><a4>4.713300040e-03</a4><a5>-7.365971320e-06</a5><a6>5.379738870e-09</a6><a7>-1.519277855e-12</a7><b1>2.853047679e+03</b1><b2>6.673965270e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.555955548e+06</a1><a2>7.870053500e+03</a2><a3>-5.439768730e+00</a3><a4>6.307819180e-03</a4><a5>-2.068871370e-06</a5><a6>3.307074880e-10</a6><a7>-1.848169716e-14</a7><b1>-4.841663910e+04</b1><b2>7.175952460e+01</b2></T_range></specie><specie inp_file_name="SnO2"><identification><InChIKey>XOLBLPGZBRYERU-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[Sn]=O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dioxotin</IUPAC_name></identification><comment>Gurvich,1991 pt1 p364 pt2 p309.</comment><reference>tpis91</reference><elements><element Sn="1" /><element O="2" /></elements><condensed>False</condensed><molecular_weight>0.1507088</molecular_weight><hf298.15>11680.180</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>4.707674080e+04</a1><a2>-6.114568670e+02</a2><a3>6.117433910e+00</a3><a4>7.514014660e-03</a4><a5>-1.238371787e-05</a5><a6>9.220915990e-09</a6><a7>-2.632417597e-12</a7><b1>2.981068066e+03</b1><b2>-8.144926410e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.573558926e+05</a1><a2>-1.427316788e+02</a2><a3>7.605700760e+00</a3><a4>-4.198008530e-05</a4><a5>9.218742430e-09</a5><a6>-1.051372983e-12</a6><a7>4.849579270e-17</a7><b1>-5.234531870e+02</b1><b2>-1.428360169e+01</b2></T_range></specie><specie inp_file_name="SnS"><identification><InChIKey>AFNRRBXCCXDRPS-UHFFFAOYSA-N</InChIKey><canonical_smiles>S=[Sn]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>sulfanylidenetin</IUPAC_name></identification><comment>Gurvich,1991 pt1 p394 pt2 p334.</comment><reference>tpis91</reference><elements><element Sn="1" /><element S="1" /></elements><condensed>False</condensed><molecular_weight>0.150775</molecular_weight><hf298.15>111099.012</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>2.724877813e+04</a1><a2>-4.924126380e+02</a2><a3>6.221654730e+00</a3><a4>-3.409406960e-03</a4><a5>3.984913680e-06</a5><a6>-2.470702874e-09</a6><a7>6.339341460e-13</a7><b1>1.452495307e+04</b1><b2>-6.791285229e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.797985129e+06</a1><a2>6.141736320e+03</a2><a3>-4.019504880e+00</a3><a4>5.993829180e-03</a4><a5>-2.188735204e-06</a5><a6>3.899542000e-10</a6><a7>-2.406563630e-14</a7><b1>-2.611349815e+04</b1><b2>6.256820705e+01</b2></T_range></specie><specie inp_file_name="SnS2"><identification><InChIKey>TUTLDIXHQPSHHQ-UHFFFAOYSA-N</InChIKey><canonical_smiles>[S-2].[S-2].[Sn+4]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>tin(4+);disulfide</IUPAC_name></identification><comment>Gurvich,1991 pt1 p397 pt2 p336.</comment><reference>tpis91</reference><elements><element Sn="1" /><element S="2" /></elements><condensed>False</condensed><molecular_weight>0.18284</molecular_weight><hf298.15>149645.595</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>3.877145410e+04</a1><a2>-8.486953940e+02</a2><a3>1.042083990e+01</a3><a4>-5.686902670e-03</a4><a5>6.373829770e-06</a5><a6>-3.825158100e-09</a6><a7>9.502480960e-13</a7><b1>2.006027952e+04</b1><b2>-2.723724769e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-6.764084050e+04</a1><a2>-1.970189679e+01</a2><a3>7.515333870e+00</a3><a4>-6.332559180e-06</a4><a5>1.434207625e-09</a5><a6>-1.676383081e-13</a6><a7>7.886911900e-18</a7><b1>1.565053629e+04</b1><b2>-9.922744838e+00</b2></T_range></specie><specie inp_file_name="Sn2"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1991 pt1 p354 pt2 p305.</comment><reference>tpis91</reference><elements><element Sn="2" /></elements><condensed>False</condensed><molecular_weight>0.23742</molecular_weight><hf298.15>421343.737</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.329666654e+05</a1><a2>1.639179787e+03</a2><a3>-1.902868972e+00</a3><a4>1.290431677e-02</a4><a5>-1.120542242e-05</a5><a6>4.502993860e-09</a6><a7>-6.056237770e-13</a7><b1>4.097452710e+04</b1><b2>4.435408030e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-4.275783040e+06</a1><a2>1.236421656e+04</a2><a3>-8.438336170e+00</a3><a4>7.088056290e-03</a4><a5>-1.712012737e-06</a5><a6>1.805262952e-10</a6><a7>-7.058656810e-15</a7><b1>-3.001418720e+04</b1><b2>1.005138538e+02</b2></T_range></specie><specie inp_file_name="Sr"><identification><InChIKey>CIOAGBVUUVVLOB-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Sr]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>strontium</IUPAC_name></identification><comment>Hf:Gurvich,1996a. Moore,1971. Moore,1970a. Gordon,1999.</comment><reference>g 1/98</reference><elements><element Sr="1" /></elements><condensed>False</condensed><molecular_weight>0.08762</molecular_weight><hf298.15>160500.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>4.190649840e+00</a1><a2>-6.304437580e-02</a2><a3>2.500373027e+00</a3><a4>-1.115455943e-06</a4><a5>1.785248643e-09</a5><a6>-1.456209589e-12</a6><a7>4.750132981e-16</a7><b1>1.855852648e+04</b1><b2>5.555772840e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.489414410e+07</a1><a2>-4.375335050e+04</a2><a3>5.137266280e+01</a3><a4>-2.592566025e-02</a4><a5>6.582990000e-06</a5><a6>-6.949611800e-10</a6><a7>2.417779662e-14</a7><b1>2.977545522e+05</b1><b2>-3.454890770e+02</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>5.562233720e+08</a1><a2>-6.093193220e+05</a2><a3>2.109096848e+02</a3><a4>-3.010063957e-02</a4><a5>2.178021676e-06</a5><a6>-7.824003460e-11</a6><a7>1.109909620e-15</a7><b1>4.579268340e+06</b1><b2>-1.752716908e+03</b2></T_range></specie><specie inp_file_name="Sr+"><identification><InChIKey>CIOAGBVUUVVLOB-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Sr]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>strontium</IUPAC_name></identification><comment>Moore,1971. Gordon,1999.</comment><reference>g 1/98</reference><elements><element Sr="1" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.0876194514</molecular_weight><hf298.15>716166.328</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>1.127287678e+01</a1><a2>-1.346951870e-01</a2><a3>2.500651495e+00</a3><a4>-1.635163061e-06</a4><a5>2.249493149e-09</a5><a6>-1.610827539e-12</a6><a7>4.698612333e-16</a7><b1>8.538981180e+04</b1><b2>6.247259240e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>3.145095058e+06</a1><a2>-9.514756890e+03</a2><a3>1.350086948e+01</a3><a4>-6.059717120e-03</a4><a5>1.594068746e-06</a5><a6>-1.718800946e-10</a6><a7>6.322256169e-15</a7><b1>1.457991907e+05</b1><b2>-7.236416930e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>9.016769220e+08</a1><a2>-6.244641660e+05</a2><a3>1.695763594e+02</a3><a4>-2.154835606e-02</a4><a5>1.462482744e-06</a5><a6>-4.930465390e-11</a6><a7>6.505705019e-16</a7><b1>4.966238870e+06</b1><b2>-1.431844579e+03</b2></T_range></specie><specie inp_file_name="SrBr"><identification><InChIKey>BGXUKYSZMDWNEB-UHFFFAOYSA-M</InChIKey><canonical_smiles>[Br-].[Sr+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>strontium;bromide</IUPAC_name></identification><comment>Gurvich,1996a pt1 p522 pt2 p402.</comment><reference>tpis96</reference><elements><element Sr="1" /><element Br="1" /></elements><condensed>False</condensed><molecular_weight>0.167524</molecular_weight><hf298.15>-63917.678</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-7.549812420e+02</a1><a2>-7.359532010e+01</a2><a3>4.828035810e+00</a3><a4>-7.160584650e-04</a4><a5>1.028527433e-06</a5><a6>-6.888370720e-10</a6><a7>1.880257878e-13</a7><b1>-8.686168450e+03</b1><b2>4.151153090e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>3.009976114e+06</a1><a2>-9.193192240e+03</a2><a3>1.526033745e+01</a3><a4>-6.009253950e-03</a4><a5>1.692611858e-06</a5><a6>-2.039438429e-10</a6><a7>8.807775840e-15</a7><b1>4.922806130e+04</b1><b2>-7.068253830e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>2.274974243e+08</a1><a2>-1.566004653e+05</a2><a3>4.234598410e+01</a3><a4>-3.477076740e-03</a4><a5>1.358747452e-07</a5><a6>-2.623018618e-12</a6><a7>1.969298231e-17</a7><b1>1.221445664e+06</b1><b2>-3.265840740e+02</b2></T_range></specie><specie inp_file_name="SrBr2"><identification><InChIKey>YJPVTCSBVRMESK-UHFFFAOYSA-L</InChIKey><canonical_smiles>[Br-].[Br-].[Sr+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>strontium;dibromide</IUPAC_name></identification><comment>Gurvich,1996a pt1 p524 pt2 p404.</comment><reference>tpis96</reference><elements><element Sr="1" /><element Br="2" /></elements><condensed>False</condensed><molecular_weight>0.247428</molecular_weight><hf298.15>-406725.851</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-4.632458660e+03</a1><a2>-7.244938640e+01</a2><a3>7.800217160e+00</a3><a4>-6.772125310e-04</a4><a5>8.537780240e-07</a5><a6>-5.632351740e-10</a6><a7>1.510568795e-13</a7><b1>-5.082238330e+04</b1><b2>-5.285074760e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.186173059e+04</a1><a2>-1.404383013e+00</a2><a3>7.501215570e+00</a3><a4>-5.415983190e-07</a4><a5>1.296969275e-10</a5><a6>-1.580911652e-14</a6><a7>7.681582270e-19</a7><b1>-5.118575210e+04</b1><b2>-3.552037110e+00</b2></T_range></specie><specie inp_file_name="SrCl"><identification><InChIKey>YKSPGWZSOMQSJO-UHFFFAOYSA-M</InChIKey><canonical_smiles>[Cl-].[Sr+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>strontium;chloride</IUPAC_name></identification><comment>Gurvich,1996a pt1 p515 pt2 p398.</comment><reference>tpis96</reference><elements><element Sr="1" /><element Cl="1" /></elements><condensed>False</condensed><molecular_weight>0.12307299999999999</molecular_weight><hf298.15>-127867.882</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>3.555346320e+03</a1><a2>-1.729385697e+02</a2><a3>5.213451020e+00</a3><a4>-1.542910668e-03</a4><a5>2.025835568e-06</a5><a6>-1.327076633e-09</a6><a7>3.547175960e-13</a7><b1>-1.588288066e+04</b1><b2>4.818144784e-01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>2.070217324e+06</a1><a2>-6.199891730e+03</a2><a3>1.150315072e+01</a3><a4>-3.675685460e-03</a4><a5>9.461732350e-07</a5><a6>-9.203765750e-11</a6><a7>2.707242192e-15</a7><b1>2.271471632e+04</b1><b2>-4.561058514e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>1.382269500e+08</a1><a2>-9.659524410e+04</a2><a3>2.600419230e+01</a3><a4>-1.405193291e-03</a4><a5>2.007238545e-08</a5><a6>7.119698480e-13</a6><a7>-2.001316762e-17</a7><b1>7.447979070e+05</b1><b2>-1.876849167e+02</b2></T_range></specie><specie inp_file_name="SrCl+"><identification><InChIKey>YKSPGWZSOMQSJO-UHFFFAOYSA-M</InChIKey><canonical_smiles>[Cl-].[Sr+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>strontium;chloride</IUPAC_name></identification><comment>Gurvich,1996a pt1 p516 pt2 p399.</comment><reference>g 8/98</reference><elements><element Sr="1" /><element Cl="1" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.1230724514</molecular_weight><hf298.15>408112.162</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>1.689043529e+03</a1><a2>-1.749284676e+02</a2><a3>5.065328640e+00</a3><a4>-9.857327840e-04</a4><a5>1.071655138e-06</a5><a6>-5.988127130e-10</a6><a7>1.395650932e-13</a7><b1>4.861190260e+04</b1><b2>2.492001711e-01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.132475783e+04</a1><a2>-4.057948270e+00</a2><a3>4.503149390e+00</a3><a4>3.826202380e-05</a4><a5>2.676951510e-09</a5><a6>5.667610500e-14</a6><a7>1.613288103e-18</a7><b1>4.769326030e+04</b1><b2>3.637722496e+00</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>-1.041313813e+04</a1><a2>-7.208302400e+00</a2><a3>4.501589780e+00</a3><a4>3.937923600e-05</a4><a5>2.394465390e-09</a5><a6>9.062292570e-14</a6><a7>4.723672450e-21</a7><b1>4.772357520e+04</b1><b2>3.647375336e+00</b2></T_range></specie><specie inp_file_name="SrCl2"><identification><InChIKey>AHBGXTDRMVNFER-UHFFFAOYSA-L</InChIKey><canonical_smiles>[Cl-].[Cl-].[Sr+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>strontium;dichloride</IUPAC_name></identification><comment>Gurvich,1996a pt1 p520 pt2 p401.</comment><reference>tpis96</reference><elements><element Sr="1" /><element Cl="2" /></elements><condensed>False</condensed><molecular_weight>0.158526</molecular_weight><hf298.15>-484813.902</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.913170011e+03</a1><a2>-2.681156951e+02</a2><a3>8.081334300e+00</a3><a4>-2.393329295e-03</a4><a5>2.976397494e-06</a5><a6>-1.943902862e-09</a6><a7>5.174307710e-13</a7><b1>-5.910111850e+04</b1><b2>-8.457827543e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.592716099e+04</a1><a2>-5.263785850e+00</a2><a3>7.004475240e+00</a3><a4>-1.970397814e-06</a4><a5>4.679671200e-10</a5><a6>-5.670215880e-14</a6><a7>2.742892387e-18</a7><b1>-6.045399530e+04</b1><b2>-2.192202775e+00</b2></T_range></specie><specie inp_file_name="SrF"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1996a pt1 p507 pt2 p394.</comment><reference>tpis96</reference><elements><element Sr="1" /><element F="1" /></elements><condensed>False</condensed><molecular_weight>0.1066184032</molecular_weight><hf298.15>-303552.788</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>2.725008615e+04</a1><a2>-4.850019720e+02</a2><a3>6.112697200e+00</a3><a4>-3.008469209e-03</a4><a5>3.368465800e-06</a5><a6>-1.987813072e-09</a6><a7>4.884161090e-13</a7><b1>-3.536890390e+04</b1><b2>-6.683739180e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>8.702340490e+05</a1><a2>-2.589818770e+03</a2><a3>7.200264220e+00</a3><a4>-1.173446296e-03</a4><a5>1.996165066e-07</a5><a6>1.103842667e-11</a6><a7>-2.343183859e-15</a7><b1>-2.133671699e+04</b1><b2>-1.667390309e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>-3.448093370e+07</a1><a2>2.208058158e+04</a2><a3>-5.125719860e+00</a3><a4>2.209099383e-03</a4><a5>-1.551627196e-07</a5><a6>5.125524390e-12</a6><a7>-6.680071600e-17</a7><b1>-2.048593542e+05</b1><b2>7.995585500e+01</b2></T_range></specie><specie inp_file_name="SrF+"><identification><InChIKey>ZLDKNZSXHHFUGU-UHFFFAOYSA-M</InChIKey><canonical_smiles>[F-].[Sr+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>strontium;fluoride</IUPAC_name></identification><comment>Gurvich,1996a pt1 p511 pt2 p395.</comment><reference>g 8/98</reference><elements><element Sr="1" /><element F="1" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.1066178546</molecular_weight><hf298.15>209468.312</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>4.009624200e+04</a1><a2>-5.944946080e+02</a2><a3>6.182330330e+00</a3><a4>-2.716159750e-03</a4><a5>2.641369127e-06</a5><a6>-1.383123292e-09</a6><a7>3.052935853e-13</a7><b1>2.697149351e+04</b1><b2>-8.313659450e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-4.752082060e+04</a1><a2>-2.526802345e+01</a2><a3>4.519295280e+00</a3><a4>2.556426750e-05</a4><a5>3.382541830e-09</a5><a6>-1.511394636e-13</a6><a7>9.537491180e-18</a7><b1>2.383861417e+04</b1><b2>1.892197325e+00</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>-2.403608095e+03</a1><a2>-3.242568700e+01</a2><a3>4.507124800e+00</a3><a4>3.261116540e-05</a4><a5>1.672393446e-09</a5><a6>5.130259820e-14</a6><a7>2.102366585e-20</a7><b1>2.392692006e+04</b1><b2>1.974517090e+00</b2></T_range></specie><specie inp_file_name="SrF2"><identification><InChIKey>FVRNDBHWWSPNOM-UHFFFAOYSA-L</InChIKey><canonical_smiles>[F-].[F-].[Sr+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>strontium;difluoride</IUPAC_name></identification><comment>Gurvich,1996a pt1 p514 pt2 p397.</comment><reference>tpis96</reference><elements><element Sr="1" /><element F="2" /></elements><condensed>False</condensed><molecular_weight>0.1256168064</molecular_weight><hf298.15>-784793.795</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>4.170759650e+04</a1><a2>-8.500132410e+02</a2><a3>1.002806064e+01</a3><a4>-6.098485190e-03</a4><a5>7.056261330e-06</a5><a6>-4.359374310e-09</a6><a7>1.111308310e-12</a7><b1>-9.217859850e+04</b1><b2>-2.325100053e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-6.126265430e+04</a1><a2>-1.964060822e+01</a2><a3>7.015557750e+00</a3><a4>-6.512526780e-06</a4><a5>1.490473613e-09</a5><a6>-1.756437040e-13</a6><a7>8.317093850e-18</a7><b1>-9.656701250e+04</b1><b2>-5.402308760e+00</b2></T_range></specie><specie inp_file_name="SrH"><identification><InChIKey>PWYYWQHXAPXYMF-UHFFFAOYSA-O</InChIKey><canonical_smiles>[H+].[Sr+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>strontium;hydron</IUPAC_name></identification><comment>Gurvich,1996a pt1 p499 pt2 p388.</comment><reference>tpis96</reference><elements><element Sr="1" /><element H="1" /></elements><condensed>False</condensed><molecular_weight>0.08862793999999999</molecular_weight><hf298.15>219227.105</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-4.317796890e+04</a1><a2>7.676429700e+02</a2><a3>-1.594398638e+00</a3><a4>1.500711077e-02</a4><a5>-1.826296898e-05</a5><a6>1.136757659e-08</a6><a7>-2.855588359e-12</a7><b1>2.179685693e+04</b1><b2>3.324674230e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.269825428e+05</a1><a2>1.345209458e+03</a2><a3>1.152194421e+00</a3><a4>3.109555289e-03</a4><a5>-1.188080968e-06</a5><a6>2.073091147e-10</a6><a7>-1.300839287e-14</a7><b1>1.735547062e+04</b1><b2>2.112916944e+01</b2></T_range></specie><specie inp_file_name="SrI"><identification><InChIKey>DDIQUBSPMHUQDY-UHFFFAOYSA-M</InChIKey><canonical_smiles>[Sr+2].[I-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>strontium;iodide</IUPAC_name></identification><comment>Gurvich,1996a pt1 p526 pt2 p405.</comment><reference>tpis96</reference><elements><element Sr="1" /><element I="1" /></elements><condensed>False</condensed><molecular_weight>0.21452447</molecular_weight><hf298.15>-7851.676</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-2.467498501e+03</a1><a2>-2.535495809e+01</a2><a3>4.603298480e+00</a3><a4>-1.613676212e-04</a4><a5>2.694294049e-07</a5><a6>-1.564795762e-10</a6><a7>3.826482280e-14</a7><b1>-2.175538291e+03</b1><b2>6.411481880e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>2.201136857e+06</a1><a2>-7.082230700e+03</a2><a3>1.332597928e+01</a3><a4>-5.305864420e-03</a4><a5>1.636071150e-06</a5><a6>-2.205540591e-10</a6><a7>1.078496824e-14</a7><b1>4.219077170e+04</b1><b2>-5.530833200e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>1.557303348e+08</a1><a2>-1.150787674e+05</a2><a3>3.550520760e+01</a3><a4>-3.375329300e-03</a4><a5>1.695651221e-07</a5><a6>-4.438653930e-12</a6><a7>4.852777450e-17</a7><b1>8.917357880e+05</b1><b2>-2.613917335e+02</b2></T_range></specie><specie inp_file_name="SrI2"><identification><InChIKey>KRIJWFBRWPCESA-UHFFFAOYSA-L</InChIKey><canonical_smiles>[Sr+2].[I-].[I-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>strontium;diiodide</IUPAC_name></identification><comment>Gurvich,1996a pt1 p528 pt2 p407.</comment><reference>tpis96</reference><elements><element Sr="1" /><element I="2" /></elements><condensed>False</condensed><molecular_weight>0.34142894</molecular_weight><hf298.15>-278218.842</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-4.391849690e+03</a1><a2>-3.757267350e+01</a2><a3>7.656993500e+00</a3><a4>-3.561721300e-04</a4><a5>4.508689010e-07</a5><a6>-2.983230473e-10</a6><a7>8.018658660e-14</a7><b1>-3.553303460e+04</b1><b2>-2.598281578e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-8.090381920e+03</a1><a2>-7.348263230e-01</a2><a3>7.500640060e+00</a3><a4>-2.863515042e-07</a4><a5>6.876556970e-11</a5><a6>-8.398807360e-15</a6><a7>4.086968160e-19</a7><b1>-3.572106420e+04</b1><b2>-1.693119087e+00</b2></T_range></specie><specie inp_file_name="SrO"><identification><InChIKey>UFQXGXDIJMBKTC-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[Sr]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>oxostrontium</IUPAC_name></identification><comment>Gurvich,1996a pt1 p495 pt2 p384.</comment><reference>tpis96</reference><elements><element Sr="1" /><element O="1" /></elements><condensed>False</condensed><molecular_weight>0.1036194</molecular_weight><hf298.15>-14207.691</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>4.224891670e+04</a1><a2>-5.913517870e+02</a2><a3>5.964363000e+00</a3><a4>-2.105712736e-03</a4><a5>2.028373972e-06</a5><a6>-1.197885492e-09</a6><a7>3.466289920e-13</a7><b1>1.018053721e+02</b1><b2>-7.511427470e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-5.172933050e+07</a1><a2>1.510821000e+05</a2><a3>-1.614513515e+02</a3><a4>8.516051790e-02</a4><a5>-2.091669402e-05</a5><a6>2.452307103e-09</a6><a7>-1.108841292e-13</a7><b1>-9.687829520e+05</b1><b2>1.197846971e+03</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>1.988729112e+08</a1><a2>-9.438733680e+04</a2><a3>2.862378041e+01</a3><a4>-2.923338947e-03</a4><a5>1.808436182e-07</a5><a6>-5.719087480e-12</a6><a7>7.320935570e-17</a7><b1>7.583246290e+05</b1><b2>-2.033702568e+02</b2></T_range></specie><specie inp_file_name="SrO+"><identification><InChIKey>UFQXGXDIJMBKTC-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[Sr]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>oxostrontium</IUPAC_name></identification><comment>Gurvich,1996a pt1 p497 pt2 p386. Partridge,1986.</comment><reference>g 8/98</reference><elements><element Sr="1" /><element O="1" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.1036188514</molecular_weight><hf298.15>630053.722</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>4.618674160e+04</a1><a2>-4.604560920e+02</a2><a3>5.605360720e+00</a3><a4>-1.511707524e-03</a4><a5>1.328692506e-06</a5><a6>-6.244610540e-10</a6><a7>1.274632229e-13</a7><b1>7.694140460e+04</b1><b2>-3.377441410e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.035147885e+06</a1><a2>-3.339081120e+03</a2><a3>8.520055290e+00</a3><a4>-2.340803237e-03</a4><a5>7.338594440e-07</a5><a6>-1.031868417e-10</a6><a7>5.087079240e-15</a7><b1>9.540749060e+04</b1><b2>-2.491223445e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>-6.910421610e+07</a1><a2>1.253686165e+04</a2><a3>9.522159370e+00</a3><a4>-1.279343636e-03</a4><a5>8.998760920e-08</a5><a6>-2.931863956e-12</a6><a7>3.752244570e-17</a7><b1>-5.778506890e+04</b1><b2>-3.231958760e+01</b2></T_range></specie><specie inp_file_name="SrOH"><identification><InChIKey>JEYJOIBINRMPSU-UHFFFAOYSA-M</InChIKey><canonical_smiles>[OH-].[Sr+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>strontium;hydroxide</IUPAC_name></identification><comment>Gurvich,1996a pt1 p502 pt2 p390.</comment><reference>tpis96</reference><elements><element Sr="1" /><element O="1" /><element H="1" /></elements><condensed>False</condensed><molecular_weight>0.10462734</molecular_weight><hf298.15>-194085.726</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>4.640006560e+04</a1><a2>-9.938685540e+02</a2><a3>9.784948960e+00</a3><a4>-5.774377620e-03</a4><a5>5.126164110e-06</a5><a6>-1.833418356e-09</a6><a7>1.926013410e-13</a7><b1>-2.022721196e+04</b1><b2>-2.740670981e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>2.545648379e+06</a1><a2>-7.416195980e+03</a2><a3>1.381956204e+01</a3><a4>-3.096481934e-03</a4><a5>7.723894210e-07</a5><a6>-7.921280320e-11</a6><a7>2.740829111e-15</a7><b1>2.231302058e+04</b1><b2>-6.148781130e+01</b2></T_range></specie><specie inp_file_name="SrOH+"><identification><InChIKey>JEYJOIBINRMPSU-UHFFFAOYSA-M</InChIKey><canonical_smiles>[OH-].[Sr+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>strontium;hydroxide</IUPAC_name></identification><comment>Gurvich,1996a pt1 p503 pt2 p391.</comment><reference>tpis96</reference><elements><element Sr="1" /><element O="1" /><element H="1" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.1046267914</molecular_weight><hf298.15>310169.605</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>3.857366940e+04</a1><a2>-9.030242330e+02</a2><a3>9.451103250e+00</a3><a4>-5.042516280e-03</a4><a5>4.190101890e-06</a5><a6>-1.196920603e-09</a6><a7>1.606318743e-14</a7><b1>3.995067720e+04</b1><b2>-2.601486110e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>8.679695660e+05</a1><a2>-2.340609538e+03</a2><a3>7.976829750e+00</a3><a4>1.023752569e-04</a4><a5>-6.286032330e-08</a5><a6>1.024851502e-11</a6><a7>-5.723683920e-16</a7><b1>5.073157720e+04</b1><b2>-2.027046917e+01</b2></T_range></specie><specie inp_file_name="Sr(OH)2"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1996a pt1 p506 pt2 p393.</comment><reference>tpis96</reference><elements><element Sr="1" /><element O="2" /><element H="2" /></elements><condensed>False</condensed><molecular_weight>0.12163468000000001</molecular_weight><hf298.15>-596694.573</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>7.205090300e+04</a1><a2>-1.789465226e+03</a2><a3>1.729429139e+01</a3><a4>-1.169280781e-02</a4><a5>1.106702894e-05</a5><a6>-4.490146090e-09</a6><a7>6.603997460e-13</a7><b1>-6.605394040e+04</b1><b2>-6.388681220e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.750013518e+06</a1><a2>-4.681601500e+03</a2><a3>1.395548402e+01</a3><a4>2.035019560e-04</a4><a5>-1.253496115e-07</a5><a6>2.044549432e-11</a6><a7>-1.142004855e-15</a7><b1>-4.427170240e+04</b1><b2>-5.051456850e+01</b2></T_range></specie><specie inp_file_name="SrS"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1996a pt1 p529 pt2 p409.</comment><reference>tpis96</reference><elements><element Sr="1" /><element S="1" /></elements><condensed>False</condensed><molecular_weight>0.119685</molecular_weight><hf298.15>104351.315</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.256440807e+04</a1><a2>-3.150436559e+02</a2><a3>5.721722510e+00</a3><a4>-2.630479718e-03</a4><a5>3.384699750e-06</a5><a6>-2.296256846e-09</a6><a7>6.512086680e-13</a7><b1>1.277295160e+04</b1><b2>-3.693874943e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.379432947e+07</a1><a2>3.921331580e+04</a2><a3>-3.602866380e+01</a3><a4>1.818513386e-02</a4><a5>-3.275858160e-06</a5><a6>2.324312746e-10</a6><a7>-3.614555700e-15</a7><b1>-2.410246179e+05</b1><b2>2.991679642e+02</b2></T_range></specie><specie inp_file_name="Sr2"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1996a pt1 p491 pt2 p382.</comment><reference>tpis96</reference><elements><element Sr="2" /></elements><condensed>False</condensed><molecular_weight>0.17524</molecular_weight><hf298.15>307570.337</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.108859753e+05</a1><a2>5.927604010e+02</a2><a3>8.439688550e+00</a3><a4>-2.652801112e-02</a4><a5>4.435825970e-05</a5><a6>-3.399915490e-08</a6><a7>9.965546680e-12</a7><b1>3.157615033e+04</b1><b2>-7.033966650e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>2.098445682e+05</a1><a2>1.038650130e+02</a2><a3>2.309332330e+00</a3><a4>1.330517507e-04</a4><a5>-4.426433390e-08</a5><a6>6.711419150e-12</a6><a7>-3.374128000e-16</a7><b1>3.636642690e+04</b1><b2>2.168088517e+01</b2></T_range></specie><specie inp_file_name="Ta"><identification><InChIKey>GUVRBAGPIYLISA-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Ta]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>tantalum</IUPAC_name></identification><comment>Hf:Gurvich,1982 p85. Moore,1971. Gordon,1999.</comment><reference>g 7/97</reference><elements><element Ta="1" /></elements><condensed>False</condensed><molecular_weight>0.1809479</molecular_weight><hf298.15>782518.638</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.150907339e+04</a1><a2>4.780730430e+01</a2><a3>3.185588390e+00</a3><a4>-5.366528160e-03</a4><a5>1.288379705e-05</a5><a6>-1.045798666e-08</a6><a7>3.050617695e-12</a7><b1>9.299797630e+04</b1><b2>5.336056610e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.689726898e+06</a1><a2>-5.986854660e+03</a2><a3>9.565039670e+00</a3><a4>-2.511649459e-03</a4><a5>6.443031170e-07</a5><a6>-7.189237250e-11</a6><a7>3.113352070e-15</a7><b1>1.306710983e+05</b1><b2>-4.335096270e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>-8.413419560e+08</a1><a2>6.381509040e+05</a2><a3>-1.856031850e+02</a3><a4>2.797353600e-02</a4><a5>-2.073321805e-06</a5><a6>7.397299170e-11</a6><a7>-1.017863944e-15</a7><b1>-4.836410620e+06</b1><b2>1.607007750e+03</b2></T_range></specie><specie inp_file_name="Ta+"><identification><InChIKey>GUVRBAGPIYLISA-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Ta]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>tantalum</IUPAC_name></identification><comment>Moore,1971. Gordon,1999.</comment><reference>g 7/97</reference><elements><element Ta="1" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.1809473514</molecular_weight><hf298.15>1549679.335</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>2.869712865e+05</a1><a2>-3.084920994e+03</a2><a3>1.430679704e+01</a3><a4>-1.984772164e-02</a4><a5>1.951445133e-05</a5><a6>-8.970946030e-09</a6><a7>1.501974665e-12</a7><b1>2.013828712e+05</b1><b2>-6.306427830e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>3.656142130e+06</a1><a2>-1.254073524e+04</a2><a3>1.865022579e+01</a3><a4>-7.943274660e-03</a4><a5>2.151786937e-06</a5><a6>-2.816764844e-10</a6><a7>1.413722944e-14</a7><b1>2.636876455e+05</b1><b2>-1.065864286e+02</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>3.724273560e+07</a1><a2>-3.405709310e+04</a2><a3>1.630056321e+01</a3><a4>-2.064987830e-03</a4><a5>1.616826024e-07</a5><a6>-5.752060330e-12</a6><a7>7.636581870e-17</a7><b1>4.405115500e+05</b1><b2>-1.040237652e+02</b2></T_range></specie><specie inp_file_name="Ta-"><identification><InChIKey>GUVRBAGPIYLISA-IGMARMGPSA-N</InChIKey><canonical_smiles>[Ta]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>tantalum-181</IUPAC_name></identification><comment>Hotop,1985. Gordon,1999.</comment><reference>g 9/97</reference><elements><element Ta="1" /><element E="1" /></elements><condensed>False</condensed><molecular_weight>0.1809484486</molecular_weight><hf298.15>745469.429</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>1.873982301e+05</a1><a2>-1.681268679e+03</a2><a3>6.480040150e+00</a3><a4>-2.254355782e-04</a4><a5>2.028434876e-06</a5><a6>-4.679801430e-09</a6><a7>1.997027996e-12</a7><b1>9.793496020e+04</b1><b2>-2.049618155e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-4.235467480e+06</a1><a2>1.101056361e+04</a2><a3>-4.736911070e+00</a3><a4>2.503562129e-03</a4><a5>-4.821851690e-07</a5><a6>4.886408030e-11</a6><a7>-2.030547835e-15</a7><b1>1.574699408e+04</b1><b2>6.491802700e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>4.149884030e+05</a1><a2>1.227972146e+03</a2><a3>2.209211582e+00</a3><a4>3.401090760e-05</a4><a5>-2.136872502e-09</a5><a6>6.906775410e-14</a6><a7>-9.017779200e-19</a7><b1>8.249065600e+04</b1><b2>1.195636187e+01</b2></T_range></specie><specie inp_file_name="TaCl5"><identification><InChIKey>OEIMLTQPLAGXMX-UHFFFAOYSA-I</InChIKey><canonical_smiles>Cl[Ta](Cl)(Cl)(Cl)Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>pentachlorotantalum</IUPAC_name></identification><comment>Chase,1998 p923.</comment><reference>j12/74</reference><elements><element Ta="1" /><element Cl="5" /></elements><condensed>False</condensed><molecular_weight>0.3582129</molecular_weight><hf298.15>-764835.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>6.306483290e+04</a1><a2>-1.771221442e+03</a2><a3>2.255083356e+01</a3><a4>-1.360238041e-02</a4><a5>1.613009806e-05</a5><a6>-1.016307761e-08</a6><a7>2.631917453e-12</a7><b1>-8.792737110e+04</b1><b2>-8.097864282e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.426444545e+05</a1><a2>-3.894340320e+01</a2><a3>1.603142370e+01</a3><a4>-1.333676355e-05</a4><a5>3.084307611e-09</a5><a6>-3.663930060e-13</a6><a7>1.745841795e-17</a7><b1>-9.701297170e+04</b1><b2>-4.256986372e+01</b2></T_range></specie><specie inp_file_name="TaO"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1982 pt1 p86 pt2 p89.</comment><reference>tpis89</reference><elements><element Ta="1" /><element O="1" /></elements><condensed>False</condensed><molecular_weight>0.19694730000000002</molecular_weight><hf298.15>242534.705</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.395738049e+04</a1><a2>3.945236990e+02</a2><a3>-6.301696410e-02</a3><a4>1.308595441e-02</a4><a5>-1.862339730e-05</a5><a6>1.366155583e-08</a6><a7>-3.924551230e-12</a7><b1>2.645195419e+04</b1><b2>2.741671469e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>6.106591120e+06</a1><a2>-1.984135246e+04</a2><a3>2.815797433e+01</a3><a4>-1.330045882e-02</a4><a5>3.876807490e-06</a5><a6>-5.068872770e-10</a6><a7>2.443666035e-14</a7><b1>1.525814433e+05</b1><b2>-1.658307106e+02</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>-1.076924766e+08</a1><a2>1.287348862e+04</a2><a3>1.361132509e+01</a3><a4>-1.443306356e-03</a4><a5>9.697469230e-08</a5><a6>-3.170023830e-12</a6><a7>4.113579900e-17</a7><b1>-1.302536682e+05</b1><b2>-6.687940680e+01</b2></T_range></specie><specie inp_file_name="TaO2"><identification><InChIKey>NQKXFODBPINZFK-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[Ta]=O</canonical_smiles><cas_number>12036-14-5</cas_number><IUPAC_name>dioxotantalum</IUPAC_name></identification><comment>Gurvich,1982 pt1 p89 pt2 p91.</comment><reference>tpis82</reference><elements><element Ta="1" /><element O="2" /></elements><condensed>False</condensed><molecular_weight>0.2129467</molecular_weight><hf298.15>-173662.006</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.516356303e+04</a1><a2>7.058414760e+01</a2><a3>6.918516990e-01</a3><a4>2.020605733e-02</a4><a5>-2.928317413e-05</a5><a6>2.081417374e-08</a6><a7>-5.751106690e-12</a7><b1>-2.212199468e+04</b1><b2>2.484662500e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.297565964e+06</a1><a2>-4.149217430e+03</a2><a3>1.041680373e+01</a3><a4>-1.045478838e-03</a4><a5>2.754904271e-07</a5><a6>-3.297043130e-11</a6><a7>1.356249074e-15</a7><b1>3.418985670e+03</b1><b2>-3.392642790e+01</b2></T_range></specie><specie inp_file_name="Ti"><identification><InChIKey>RTAQQCXQSZGOHL-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Ti]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>titanium</IUPAC_name></identification><comment>Hf:Cox,1989. Sugar,1985. Gordon,1999.</comment><reference>g 7/97</reference><elements><element Ti="1" /></elements><condensed>False</condensed><molecular_weight>0.047867</molecular_weight><hf298.15>473000.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-4.570179400e+04</a1><a2>6.608092020e+02</a2><a3>4.295257490e-01</a3><a4>3.615029910e-03</a4><a5>-3.549792810e-06</a5><a6>1.759952494e-09</a6><a7>-3.052720871e-13</a7><b1>5.270947930e+04</b1><b2>2.026149738e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.704786714e+05</a1><a2>1.073852803e+03</a2><a3>1.181955014e+00</a3><a4>2.245246352e-04</a4><a5>3.091697848e-07</a5><a6>-5.740027280e-11</a6><a7>2.927371014e-15</a7><b1>4.978069910e+04</b1><b2>1.740431368e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>1.152797766e+09</a1><a2>-7.222408380e+05</a2><a3>1.777167465e+02</a3><a4>-2.008059096e-02</a4><a5>1.221052354e-06</a5><a6>-3.811452080e-11</a6><a7>4.798092423e-16</a7><b1>5.772614540e+06</b1><b2>-1.518080466e+03</b2></T_range></specie><specie inp_file_name="Ti+"><identification><InChIKey>RTAQQCXQSZGOHL-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Ti]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>titanium</IUPAC_name></identification><comment>Sugar,1985. Gordon,1999.</comment><reference>g 7/97</reference><elements><element Ti="1" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.0478664514</molecular_weight><hf298.15>1137624.029</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>1.707457044e+05</a1><a2>-1.727524602e+03</a2><a3>9.615885330e+00</a3><a4>-1.089655060e-02</a4><a5>8.201809650e-06</a5><a6>-2.871464413e-09</a6><a7>3.420382976e-13</a7><b1>1.447897558e+05</b1><b2>-3.463143660e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-7.685463080e+05</a1><a2>2.545868100e+03</a2><a3>3.423862780e-01</a3><a4>7.099901360e-04</a4><a5>2.706231875e-08</a5><a6>-2.371660100e-11</a6><a7>1.895443077e-15</a7><b1>1.198821489e+05</b1><b2>2.484799150e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>3.918035620e+07</a1><a2>-2.534581605e+04</a2><a3>9.586759720e+00</a3><a4>-7.584155410e-04</a4><a5>4.432999350e-08</a5><a6>-8.442571760e-13</a6><a7>-4.517128089e-19</a7><b1>3.344440620e+05</b1><b2>-5.220026270e+01</b2></T_range></specie><specie inp_file_name="Ti-"><identification><InChIKey>RTAQQCXQSZGOHL-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Ti]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>titanium</IUPAC_name></identification><comment>Hotop,1985. Gordon,1999.</comment><reference>g 9/97</reference><elements><element Ti="1" /><element E="1" /></elements><condensed>False</condensed><molecular_weight>0.0478675486</molecular_weight><hf298.15>459203.814</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>-3.006484990e+03</a1><a2>2.040911689e+02</a2><a3>1.822638976e+00</a3><a4>1.245254812e-03</a4><a5>-1.309239865e-06</a5><a6>7.372143220e-10</a6><a7>-1.724319779e-13</a7><b1>5.346772050e+04</b1><b2>1.205926588e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>2.341117640e+04</a1><a2>2.580413872e+00</a2><a3>2.497754577e+00</a3><a4>9.769072040e-07</a4><a5>-2.280024955e-10</a5><a6>2.717202291e-14</a6><a7>-1.295670294e-18</a7><b1>5.454662180e+04</b1><b2>7.999823950e+00</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>1.417514172e+04</a1><a2>5.638799640e+00</a2><a3>2.498751709e+00</a3><a4>1.426579908e-07</a4><a5>-8.889194940e-12</a5><a6>2.867172222e-16</a6><a7>-3.746329300e-21</a7><b1>5.451843520e+04</b1><b2>7.994109450e+00</b2></T_range></specie><specie inp_file_name="TiCl"><identification><InChIKey>ZNFNVLRXFXNGOK-UHFFFAOYSA-M</InChIKey><canonical_smiles>Cl[Ti+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>chlorotitanium(1+)</IUPAC_name></identification><comment>Chase,1998 p808.</comment><reference>j12/68</reference><elements><element Ti="1" /><element Cl="1" /></elements><condensed>False</condensed><molecular_weight>0.08331999999999999</molecular_weight><hf298.15>150850.926</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.714177839e+04</a1><a2>3.103259047e+02</a2><a3>8.920935980e-01</a3><a4>1.383436793e-02</a4><a5>-1.885370354e-05</a5><a6>1.212085912e-08</a6><a7>-3.032162427e-12</a7><b1>1.558066453e+04</b1><b2>2.244778384e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-9.633225420e+05</a1><a2>2.868829781e+03</a2><a3>1.973820676e+00</a3><a4>1.752668011e-03</a4><a5>-4.255434360e-07</a5><a6>5.049103400e-11</a6><a7>-2.304720715e-15</a7><b1>-1.811011561e+03</b1><b2>2.319450287e+01</b2></T_range></specie><specie inp_file_name="TiCl2"><identification><InChIKey>ZWYDDDAMNQQZHD-UHFFFAOYSA-L</InChIKey><canonical_smiles>Cl[Ti]Cl</canonical_smiles><cas_number>10049-06-6</cas_number><IUPAC_name>dichlorotitanium</IUPAC_name></identification><comment>Chase,1998 p866.</comment><reference>j12/68</reference><elements><element Ti="1" /><element Cl="2" /></elements><condensed>False</condensed><molecular_weight>0.11877299999999999</molecular_weight><hf298.15>-237230.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.324354656e+04</a1><a2>-5.762829320e+02</a2><a3>9.640047290e+00</a3><a4>-4.475120950e-03</a4><a5>5.398794870e-06</a5><a6>-3.525800490e-09</a6><a7>9.746004550e-13</a7><b1>-2.792066683e+04</b1><b2>-2.218347625e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-3.190012950e+06</a1><a2>1.015763826e+04</a2><a3>-4.840794770e+00</a3><a4>6.822006340e-03</a4><a5>-1.700753270e-06</a5><a6>2.118106588e-10</a6><a7>-1.041245457e-14</a7><b1>-9.480982980e+04</b1><b2>7.823195948e+01</b2></T_range></specie><specie inp_file_name="TiCl3"><identification><InChIKey>YONPGGFAJWQGJC-UHFFFAOYSA-K</InChIKey><canonical_smiles>Cl[Ti](Cl)Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>trichlorotitanium</IUPAC_name></identification><comment>Chase,1998 p887.</comment><reference>j12/68</reference><elements><element Ti="1" /><element Cl="3" /></elements><condensed>False</condensed><molecular_weight>0.154226</molecular_weight><hf298.15>-539320.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.243282268e+05</a1><a2>-2.320728253e+03</a2><a3>1.779895274e+01</a3><a4>-1.160889348e-02</a4><a5>1.006643154e-05</a5><a6>-4.811940690e-09</a6><a7>1.006186828e-12</a7><b1>-5.609602510e+04</b1><b2>-6.732754065e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-9.408792310e+04</a1><a2>-1.255351109e+02</a2><a3>1.066923972e+01</a3><a4>-2.637456897e-04</a4><a5>7.959169350e-08</a5><a6>-1.176740054e-11</a6><a7>6.416223480e-16</a7><b1>-6.769114680e+04</b1><b2>-2.369164216e+01</b2></T_range></specie><specie inp_file_name="TiCl4"><identification><InChIKey>XJDNKRIXUMDJCW-UHFFFAOYSA-J</InChIKey><canonical_smiles>Cl[Ti](Cl)(Cl)Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>tetrachlorotitanium</IUPAC_name></identification><comment>Chase,1998 p906.</comment><reference>j12/67</reference><elements><element Ti="1" /><element Cl="4" /></elements><condensed>False</condensed><molecular_weight>0.18967900000000001</molecular_weight><hf298.15>-763160.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>8.187196800e+04</a1><a2>-1.758323850e+03</a2><a3>1.892512121e+01</a3><a4>-1.133495876e-02</a4><a5>1.251952037e-05</a5><a6>-7.422681330e-09</a6><a7>1.825440187e-12</a7><b1>-8.672923110e+04</b1><b2>-6.769594291e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.432562278e+05</a1><a2>-4.316774850e+01</a2><a3>1.303337752e+01</a3><a4>-1.371365738e-05</a4><a5>3.093403483e-09</a5><a6>-3.604245160e-13</a6><a7>1.691384523e-17</a7><b1>-9.588947000e+04</b1><b2>-3.247541011e+01</b2></T_range></specie><specie inp_file_name="TiO"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1982 pt1 p99 pt2 p101.</comment><reference>tpis89</reference><elements><element Ti="1" /><element O="1" /></elements><condensed>False</condensed><molecular_weight>0.0638664</molecular_weight><hf298.15>49503.615</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.168152460e+04</a1><a2>4.542565650e+02</a2><a3>-1.139144613e-01</a3><a4>1.275432333e-02</a4><a5>-1.727656935e-05</a5><a6>1.187369403e-08</a6><a7>-3.236579370e-12</a7><b1>2.924306353e+03</b1><b2>2.702903947e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>2.330644030e+06</a1><a2>-7.415793860e+03</a2><a3>1.281799311e+01</a3><a4>-4.344555950e-03</a4><a5>1.186303111e-06</a5><a6>-1.367644275e-10</a6><a7>5.703212250e-15</a7><b1>5.144841360e+04</b1><b2>-5.793994240e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>1.660288147e+08</a1><a2>-1.051853502e+05</a2><a3>2.749141313e+01</a3><a4>-1.681501753e-03</a4><a5>4.884078370e-08</a5><a6>-4.721389750e-13</a6><a7>-2.405919722e-18</a7><b1>8.399156070e+05</b1><b2>-2.030813444e+02</b2></T_range></specie><specie inp_file_name="TiO+"><identification><InChIKey>OGIDPMRJRNCKJF-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[Ti]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>oxotitanium</IUPAC_name></identification><comment>Gurvich,1982 pt1 p104 pt2 p103.</comment><reference>tpis82</reference><elements><element Ti="1" /><element O="1" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.06386585139999999</molecular_weight><hf298.15>685321.011</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>3.691256250e+04</a1><a2>-1.492825538e+02</a2><a3>2.624977257e+00</a3><a4>5.818627130e-03</a4><a5>-7.529662110e-06</a5><a6>4.744154350e-09</a6><a7>-1.186916989e-12</a7><b1>8.241551170e+04</b1><b2>1.095428726e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>3.421329530e+05</a1><a2>-2.161851060e+03</a2><a3>8.025175660e+00</a3><a4>-2.708700692e-03</a4><a5>1.004583805e-06</a5><a6>-1.505766850e-10</a6><a7>8.045658110e-15</a7><b1>9.362646990e+04</b1><b2>-2.261587887e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>6.877707550e+07</a1><a2>-4.060032000e+04</a2><a3>1.371193858e+01</a3><a4>-6.905832140e-04</a4><a5>2.394468882e-08</a5><a6>-4.056406410e-13</a6><a7>2.475735466e-18</a7><b1>4.034409840e+05</b1><b2>-8.020740780e+01</b2></T_range></specie><specie inp_file_name="TiOCl"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Chase,1998 p796.</comment><reference>j 9/63</reference><elements><element Ti="1" /><element O="1" /><element Cl="1" /></elements><condensed>False</condensed><molecular_weight>0.0993194</molecular_weight><hf298.15>-244262.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>3.545856510e+04</a1><a2>-6.295287140e+02</a2><a3>7.370176300e+00</a3><a4>3.302019140e-03</a4><a5>-6.121458750e-06</a5><a6>4.735880250e-09</a6><a7>-1.374690357e-12</a7><b1>-2.797087903e+04</b1><b2>-1.294470159e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.273059873e+05</a1><a2>-1.111118850e+02</a2><a3>7.582888080e+00</a3><a4>-3.312871800e-05</a4><a5>7.314014090e-09</a5><a6>-8.378822260e-13</a6><a7>3.879275060e-17</a7><b1>-3.139356857e+04</b1><b2>-1.247104274e+01</b2></T_range></specie><specie inp_file_name="TiOCl2"><identification><InChIKey>XFVGXQSSXWIWIO-UHFFFAOYSA-N</InChIKey><canonical_smiles>O(Cl)Cl.[Ti]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>chloro hypochlorite;titanium</IUPAC_name></identification><comment>Chase,1998 p843.</comment><reference>j 9/63</reference><elements><element Ti="1" /><element O="1" /><element Cl="2" /></elements><condensed>False</condensed><molecular_weight>0.13477240000000001</molecular_weight><hf298.15>-545552.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>3.289052460e+04</a1><a2>-7.389188590e+02</a2><a3>1.055976857e+01</a3><a4>1.577742341e-03</a4><a5>-3.907182100e-06</a5><a6>3.290576530e-09</a6><a7>-9.949471750e-13</a7><b1>-6.448410700e+04</b1><b2>-2.417469934e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.322951633e+05</a1><a2>-9.691212050e+01</a2><a3>1.007240769e+01</a3><a4>-2.897248531e-05</a4><a5>6.401775040e-09</a5><a6>-7.338452600e-13</a6><a7>3.399282670e-17</a7><b1>-6.847409640e+04</b1><b2>-1.975043469e+01</b2></T_range></specie><specie inp_file_name="TiO2"><identification><InChIKey>SOQBVABWOPYFQZ-UHFFFAOYSA-N</InChIKey><canonical_smiles>[O-2].[O-2].[Ti+4]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>oxygen(2-);titanium(4+)</IUPAC_name></identification><comment>Chase,1998 p1762 12/73. Jacox,1998.</comment><reference>g10/99</reference><elements><element Ti="1" /><element O="2" /></elements><condensed>False</condensed><molecular_weight>0.07986579999999999</molecular_weight><hf298.15>-305430.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.710545601e+03</a1><a2>2.721435528e+02</a2><a3>5.961378960e-01</a3><a4>1.925463599e-02</a4><a5>-2.665500165e-05</a5><a6>1.811109197e-08</a6><a7>-4.876710470e-12</a7><b1>-3.912241770e+04</b1><b2>2.408605889e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.546299764e+05</a1><a2>-1.046256880e+03</a2><a3>7.788985830e+00</a3><a4>-1.546805714e-04</a4><a5>-7.059935950e-08</a5><a6>3.100244802e-11</a6><a7>-2.494725430e-15</a7><b1>-3.266336750e+04</b1><b2>-1.591534660e+01</b2></T_range></specie><specie inp_file_name="U"><identification><InChIKey>JFALSRSLKYAFGM-UHFFFAOYSA-N</InChIKey><canonical_smiles>[U]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>uranium</IUPAC_name></identification><comment>Gurvich,1982 pt1 p184 pt2 p201. Blaise,1976.</comment><reference>g 7/00</reference><elements><element U="1" /></elements><condensed>False</condensed><molecular_weight>0.23802890999999998</molecular_weight><hf298.15>535000.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>6.965737750e+04</a1><a2>-1.070351517e+03</a2><a3>8.075842310e+00</a3><a4>-1.060034069e-02</a4><a5>9.256548010e-06</a5><a6>-3.219899760e-09</a6><a7>4.058048809e-13</a7><b1>6.866513700e+04</b1><b2>-2.240521678e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-4.092498960e+06</a1><a2>1.274888349e+04</a2><a3>-1.218707506e+01</a3><a4>7.258105680e-03</a4><a5>-7.787775070e-07</a5><a6>-3.844353850e-11</a6><a7>7.066508567e-15</a7><b1>-1.699372664e+04</b1><b2>1.155026301e+02</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>-2.424676814e+08</a1><a2>1.022495503e+05</a2><a3>-2.321762289e+00</a3><a4>-7.433177460e-04</a4><a5>9.674993970e-08</a5><a6>-4.159452280e-12</a6><a7>6.313829223e-17</a7><b1>-8.137559280e+05</b1><b2>7.333489176e+01</b2></T_range></specie><specie inp_file_name="UF"><identification><InChIKey>FGBWGPYNPCUMFK-UHFFFAOYSA-M</InChIKey><canonical_smiles>[F-].[U]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>uranium;fluoride</IUPAC_name></identification><comment>Gurvich,1982 pt1 p202 pt2 p224.</comment><reference>tpis82</reference><elements><element U="1" /><element F="1" /></elements><condensed>False</condensed><molecular_weight>0.2570273132</molecular_weight><hf298.15>-49250.737</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.725533463e+05</a1><a2>-1.698985561e+03</a2><a3>5.902926430e+00</a3><a4>1.841977309e-02</a4><a5>-4.633174310e-05</a5><a6>4.376657200e-08</a6><a7>-1.451876566e-11</a7><b1>2.086455917e+03</b1><b2>-1.186592944e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-5.325439370e+06</a1><a2>1.533967086e+04</a2><a3>-1.175044398e+01</a3><a4>9.647210930e-03</a4><a5>-2.498778190e-06</a5><a6>3.155572896e-10</a6><a7>-1.544694839e-14</a7><b1>-1.057196525e+05</b1><b2>1.220828149e+02</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>2.021978468e+08</a1><a2>-1.196840152e+05</a2><a3>3.263355240e+01</a3><a4>-2.553105588e-03</a4><a5>1.191730174e-07</a5><a6>-2.677714445e-12</a6><a7>2.360089903e-17</a7><b1>9.473656850e+05</b1><b2>-2.396788565e+02</b2></T_range></specie><specie inp_file_name="UF+"><identification><InChIKey>FGBWGPYNPCUMFK-UHFFFAOYSA-M</InChIKey><canonical_smiles>[F-].[U]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>uranium;fluoride</IUPAC_name></identification><comment>Gurvich,1982 pt1 p203 pt2 p226.</comment><reference>tpis82</reference><elements><element U="1" /><element F="1" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.25702676459999996</molecular_weight><hf298.15>557058.967</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>1.622640597e+06</a1><a2>-1.917326611e+04</a2><a3>8.759461220e+01</a3><a4>-1.699915707e-01</a4><a5>1.861251683e-04</a5><a6>-1.036176702e-07</a6><a7>2.324287412e-11</a7><b1>1.616709643e+05</b1><b2>-4.806891249e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>5.395091840e+05</a1><a2>-2.923962095e+03</a2><a3>1.008511948e+01</a3><a4>-2.425945123e-03</a4><a5>5.928725480e-07</a5><a6>-6.795845540e-11</a6><a7>3.152666445e-15</a7><b1>8.267291220e+04</b1><b2>-3.307089704e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>5.357726300e+07</a1><a2>-1.105107069e+04</a2><a3>1.891324705e+00</a3><a4>1.246403421e-03</a4><a5>-1.128508026e-07</a5><a6>4.314527550e-12</a6><a7>-6.027569830e-17</a7><b1>1.776673362e+05</b1><b2>2.409952635e+01</b2></T_range></specie><specie inp_file_name="UF-"><identification><InChIKey>FGBWGPYNPCUMFK-UHFFFAOYSA-M</InChIKey><canonical_smiles>[F-].[U]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>uranium;fluoride</IUPAC_name></identification><comment>Gurvich,1982 pt1 p204 pt2 p228.</comment><reference>g12/99</reference><elements><element U="1" /><element F="1" /><element E="1" /></elements><condensed>False</condensed><molecular_weight>0.2570278618</molecular_weight><hf298.15>-155679.193</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>3.692327860e+03</a1><a2>-1.491979606e+02</a2><a3>4.033988520e+00</a3><a4>2.857429445e-03</a4><a5>-5.171702560e-06</a5><a6>3.985379110e-09</a6><a7>-9.470355440e-13</a7><b1>-1.915281695e+04</b1><b2>6.059243838e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-4.311143560e+06</a1><a2>1.974817938e+04</a2><a3>-2.760304763e+01</a3><a4>2.276806261e-02</a4><a5>-6.888741720e-06</a5><a6>9.483511060e-10</a6><a7>-4.910688100e-14</a7><b1>-1.380801290e+05</b1><b2>2.240758537e+02</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>-3.090384299e+08</a1><a2>1.824173856e+05</a2><a3>-3.570033800e+01</a3><a4>4.596835280e-03</a4><a5>-2.809511961e-07</a5><a6>9.028550240e-12</a6><a7>-1.169274383e-16</a7><b1>-1.475954920e+06</b1><b2>3.592431751e+02</b2></T_range></specie><specie inp_file_name="UF2"><identification><InChIKey>HZPJPJYEIBZXAU-UHFFFAOYSA-L</InChIKey><canonical_smiles>F[U]F</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>difluorouranium</IUPAC_name></identification><comment>Gurvich,1982 pt1 p205 pt2 p230.</comment><reference>tpis82</reference><elements><element U="1" /><element F="2" /></elements><condensed>False</condensed><molecular_weight>0.2760257164</molecular_weight><hf298.15>-535036.715</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-3.882492020e+04</a1><a2>4.454930860e+02</a2><a3>4.718009190e+00</a3><a4>1.648911480e-03</a4><a5>8.696243010e-06</a5><a6>-1.207439921e-08</a6><a7>4.536793910e-12</a7><b1>-6.855329330e+04</b1><b2>1.159725423e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-4.716776820e+05</a1><a2>3.224236860e+02</a2><a3>8.214090630e+00</a3><a4>-1.407413780e-04</a4><a5>6.541178050e-09</a5><a6>1.818915497e-12</a6><a7>-2.287963719e-16</a7><b1>-6.995235050e+04</b1><b2>-9.648963156e+00</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>3.833722170e+06</a1><a2>-5.166288400e+03</a2><a3>1.000042588e+01</a3><a4>-3.502166850e-04</a4><a5>1.973413760e-08</a5><a6>-5.613962470e-13</a6><a7>6.472362570e-18</a7><b1>-2.897767010e+04</b1><b2>-2.492966720e+01</b2></T_range></specie><specie inp_file_name="UF2+"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1982 pt1 p207 pt2 p232.</comment><reference>tpis82</reference><elements><element U="1" /><element F="2" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.2760251678</molecular_weight><hf298.15>70445.527</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>5.439010160e+03</a1><a2>-1.507096256e+02</a2><a3>6.873485190e+00</a3><a4>1.530973969e-03</a4><a5>-3.316694310e-06</a5><a6>2.949453335e-09</a6><a7>-8.281706540e-13</a7><b1>7.256014910e+03</b1><b2>-2.205491833e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-3.779149610e+06</a1><a2>1.298737504e+04</a2><a3>-1.027930641e+01</a3><a4>1.048838051e-02</a4><a5>-2.651047812e-06</a5><a6>3.116973593e-10</a6><a7>-1.417216291e-14</a7><b1>-7.433440200e+04</b1><b2>1.189131079e+02</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>-9.003702250e+07</a1><a2>4.886273610e+04</a2><a3>-2.192209667e-01</a3><a4>6.378651730e-04</a4><a5>-3.372669300e-08</a5><a6>9.777729090e-13</a6><a7>-1.189890068e-17</a7><b1>-3.936562000e+05</b1><b2>6.595164355e+01</b2></T_range></specie><specie inp_file_name="UF2-"><identification><InChIKey>HZPJPJYEIBZXAU-UHFFFAOYSA-L</InChIKey><canonical_smiles>F[U]F</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>difluorouranium</IUPAC_name></identification><comment>Gurvich,1982 pt1 p208 pt2 p234.</comment><reference>tpis82</reference><elements><element U="1" /><element F="2" /><element E="1" /></elements><condensed>False</condensed><molecular_weight>0.27602626500000005</molecular_weight><hf298.15>-678233.195</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>8.060491730e+05</a1><a2>-9.404254660e+03</a2><a3>4.448392770e+01</a3><a4>-6.868558770e-02</a4><a5>6.777809920e-05</a5><a6>-3.338827680e-08</a6><a7>6.604851620e-12</a7><b1>-3.603306130e+04</b1><b2>-2.261594249e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.038231855e+07</a1><a2>-2.840113518e+04</a2><a3>3.498533370e+01</a3><a4>-1.053216396e-02</a4><a5>1.924620470e-06</a5><a6>-1.698749570e-10</a6><a7>5.709858890e-15</a7><b1>1.001572794e+05</b1><b2>-2.094039075e+02</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>-5.046229980e+07</a1><a2>3.524957180e+04</a2><a3>-8.601752150e-01</a3><a4>8.947422820e-04</a4><a5>-5.540675440e-08</a5><a6>1.776021844e-12</a6><a7>-2.307535574e-17</a7><b1>-3.584621110e+05</b1><b2>6.877566575e+01</b2></T_range></specie><specie inp_file_name="UF3"><identification><InChIKey>QKQVZMHSFHTREC-UHFFFAOYSA-K</InChIKey><canonical_smiles>F[U](F)F</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>trifluorouranium</IUPAC_name></identification><comment>Gurvich,1982 pt1 p210 pt2 p237.</comment><reference>tpis82</reference><elements><element U="1" /><element F="3" /></elements><condensed>False</condensed><molecular_weight>0.2950241196</molecular_weight><hf298.15>-1060958.597</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>3.071027207e+04</a1><a2>-6.340789470e+02</a2><a3>1.114030799e+01</a3><a4>-2.937554125e-04</a4><a5>-1.865390371e-06</a5><a6>2.371819470e-09</a6><a7>-7.446754070e-13</a7><b1>-1.271838141e+05</b1><b2>-2.348962529e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-3.828876420e+06</a1><a2>1.296891783e+04</a2><a3>-7.265554290e+00</a3><a4>1.048289752e-02</a4><a5>-2.649840687e-06</a5><a6>3.115594509e-10</a6><a7>-1.416579400e-14</a7><b1>-2.113615913e+05</b1><b2>1.054464687e+02</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>-9.007768940e+07</a1><a2>4.885212250e+04</a2><a3>2.783068500e+00</a3><a4>6.376088800e-04</a4><a5>-3.371098360e-08</a5><a6>9.772726250e-13</a6><a7>-1.189242739e-17</a7><b1>-5.307242640e+05</b1><b2>5.256841035e+01</b2></T_range></specie><specie inp_file_name="UF3+"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1982 pt1 p211 pt2 p239.</comment><reference>tpis82</reference><elements><element U="1" /><element F="3" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.295023571</molecular_weight><hf298.15>-284745.430</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>-3.984155890e+05</a1><a2>3.480892440e+03</a2><a3>-2.519603507e+00</a3><a4>2.283749282e-02</a4><a5>-2.168844780e-05</a5><a6>1.111265790e-08</a6><a7>-2.350882012e-12</a7><b1>-5.550889200e+04</b1><b2>5.853815975e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.196316388e+06</a1><a2>3.972785070e+03</a2><a3>4.535907110e+00</a3><a4>4.133416150e-03</a4><a5>-1.097960689e-06</a5><a6>1.319641252e-10</a6><a7>-6.101129180e-15</a7><b1>-6.199541740e+04</b1><b2>2.137623045e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>-4.490516590e+07</a1><a2>2.285903928e+04</a2><a3>7.869516510e+00</a3><a4>1.274792626e-04</a4><a5>-5.228047920e-09</a5><a6>1.360286305e-13</a6><a7>-1.645113815e-18</a7><b1>-2.269266296e+05</b1><b2>6.797911871e+00</b2></T_range></specie><specie inp_file_name="UF3-"><identification><InChIKey>QKQVZMHSFHTREC-UHFFFAOYSA-K</InChIKey><canonical_smiles>F[U](F)F</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>trifluorouranium</IUPAC_name></identification><comment>Gurvich,1982 pt1 p212 pt2 p241.</comment><reference>tpis82</reference><elements><element U="1" /><element F="3" /><element E="1" /></elements><condensed>False</condensed><molecular_weight>0.2950246682</molecular_weight><hf298.15>-1186440.771</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>-2.315187300e+05</a1><a2>2.534197822e+03</a2><a3>-3.180714590e+00</a3><a4>2.932741422e-02</a4><a5>-2.856912260e-05</a5><a6>1.345804152e-08</a6><a7>-2.465442912e-12</a7><b1>-1.580387746e+05</b1><b2>5.973605435e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.910053149e+05</a1><a2>-5.069181310e+02</a2><a3>1.181482258e+01</a3><a4>-1.711879404e-04</a4><a5>-9.384839180e-08</a5><a6>2.242009537e-11</a6><a7>-1.428195280e-15</a7><b1>-1.438628681e+05</b1><b2>-2.774680411e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>-1.944714123e+07</a1><a2>1.429185303e+04</a2><a3>7.239366640e+00</a3><a4>2.897026663e-04</a4><a5>-1.704156160e-08</a5><a6>5.276150470e-13</a6><a7>-6.688352280e-18</a7><b1>-2.573053031e+05</b1><b2>1.122428161e+01</b2></T_range></specie><specie inp_file_name="UF4"><identification><InChIKey>MZFRHHGRNOIMLW-UHFFFAOYSA-J</InChIKey><canonical_smiles>F[U](F)(F)F</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>tetrafluorouranium</IUPAC_name></identification><comment>Gurvich,1982 pt1 p215 pt2 p244.</comment><reference>tpis82</reference><elements><element U="1" /><element F="4" /></elements><condensed>False</condensed><molecular_weight>0.3140225228</molecular_weight><hf298.15>-1606157.418</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-5.007852380e+04</a1><a2>-9.693493550e+02</a2><a3>2.069596355e+01</a3><a4>-2.564852637e-02</a4><a5>4.195860120e-05</a5><a6>-3.201013390e-08</a6><a7>9.422076860e-12</a7><b1>-1.931626334e+05</b1><b2>-7.172362935e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.230291173e+06</a1><a2>3.876463790e+03</a2><a3>7.621625910e+00</a3><a4>4.094525220e-03</a4><a5>-1.088530094e-06</a5><a6>1.308042117e-10</a6><a7>-6.044390870e-15</a7><b1>-2.214142920e+05</b1><b2>6.270300658e+00</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>-4.422199930e+07</a1><a2>2.244095755e+04</a2><a3>1.096208609e+01</a3><a4>1.168958941e-04</a4><a5>-4.568843620e-09</a5><a6>1.147904592e-13</a6><a7>-1.368068374e-18</a7><b1>-3.836270440e+05</b1><b2>-8.486934342e+00</b2></T_range></specie><specie inp_file_name="UF4+"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1982 pt1 p216 pt2 p246.</comment><reference>tpis82</reference><elements><element U="1" /><element F="4" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.3140219742</molecular_weight><hf298.15>-641539.484</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>3.848956330e+04</a1><a2>-1.343282151e+03</a2><a3>1.646334809e+01</a3><a4>-7.196079860e-03</a4><a5>1.147165041e-05</a5><a6>-8.705877980e-09</a6><a7>2.501076195e-12</a7><b1>-7.405048200e+04</b1><b2>-5.295285535e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.617630159e+06</a1><a2>3.765934770e+03</a2><a3>9.166138530e+00</a3><a4>2.426641067e-03</a4><a5>-5.695320300e-07</a5><a6>6.021096600e-11</a6><a7>-2.438874329e-15</a7><b1>-1.061910645e+05</b1><b2>-4.162641042e+00</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>-2.790280948e+07</a1><a2>1.464555692e+04</a2><a3>1.168522991e+01</a3><a4>5.249951330e-05</a4><a5>-1.762380856e-10</a5><a6>-5.000071600e-14</a6><a7>1.088450028e-18</a7><b1>-2.028630553e+05</b1><b2>-1.708462849e+01</b2></T_range></specie><specie inp_file_name="UF4-"><identification><InChIKey>MZFRHHGRNOIMLW-UHFFFAOYSA-J</InChIKey><canonical_smiles>F[U](F)(F)F</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>tetrafluorouranium</IUPAC_name></identification><comment>Gurvich,1982 pt1 p217 pt2 p248.</comment><reference>tpis82</reference><elements><element U="1" /><element F="4" /><element E="1" /></elements><condensed>False</condensed><molecular_weight>0.31402307139999996</molecular_weight><hf298.15>-1728334.866</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>7.203179690e+04</a1><a2>-1.374343862e+03</a2><a3>1.640877729e+01</a3><a4>-4.363066270e-03</a4><a5>2.460407959e-06</a5><a6>-1.498144731e-10</a6><a7>-1.239417075e-13</a7><b1>-2.045174023e+05</b1><b2>-5.172250795e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-4.639200110e+06</a1><a2>1.626824426e+04</a2><a3>-9.595291050e+00</a3><a4>1.441556535e-02</a4><a5>-4.008173850e-06</a5><a6>5.140230790e-10</a6><a7>-2.511687821e-14</a7><b1>-3.125140933e+05</b1><b2>1.274038784e+02</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>-1.308421305e+08</a1><a2>8.061319300e+04</a2><a3>-3.939161520e+00</a3><a4>1.853747295e-03</a4><a5>-1.116700599e-07</a5><a6>3.508474880e-12</a6><a7>-4.490622440e-17</a7><b1>-8.552752700e+05</b1><b2>1.210372085e+02</b2></T_range></specie><specie inp_file_name="UF5"><identification><InChIKey>JNVYCANIFQDNST-UHFFFAOYSA-I</InChIKey><canonical_smiles>F[U](F)(F)(F)F</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>pentafluorouranium</IUPAC_name></identification><comment>Gurvich,1982 pt1 p219 pt2 p251.</comment><reference>tpis82</reference><elements><element U="1" /><element F="5" /></elements><condensed>False</condensed><molecular_weight>0.333020926</molecular_weight><hf298.15>-1949823.884</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.615769193e+05</a1><a2>-2.976611537e+03</a2><a3>2.537542420e+01</a3><a4>-1.930105670e-02</a4><a5>2.561852107e-05</a5><a6>-1.747402896e-08</a6><a7>4.732059380e-12</a7><b1>-2.239089616e+05</b1><b2>-1.024264836e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.695373880e+06</a1><a2>3.735425350e+03</a2><a3>1.218748040e+01</a3><a4>2.418608203e-03</a4><a5>-5.678526160e-07</a5><a6>6.002765610e-11</a6><a7>-2.430740809e-15</a7><b1>-2.645107342e+05</b1><b2>-1.883137475e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>-2.820007103e+07</a1><a2>1.475725044e+04</a2><a3>1.466020135e+01</a3><a4>5.538728810e-05</a4><a5>-3.572588510e-10</a5><a6>-4.414506670e-14</a6><a7>1.011890437e-18</a7><b1>-3.622893270e+05</b1><b2>-3.137230618e+01</b2></T_range></specie><specie inp_file_name="UF5+"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1982 pt1 p220 pt2 p253.</comment><reference>tpis82</reference><elements><element U="1" /><element F="5" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.33302037739999996</molecular_weight><hf298.15>-853617.242</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>1.626519713e+05</a1><a2>-2.915370389e+03</a2><a3>2.436168077e+01</a3><a4>-1.382199656e-02</a4><a5>1.339849041e-05</a5><a6>-7.078572690e-09</a6><a7>1.573404040e-12</a7><b1>-9.226404850e+04</b1><b2>-9.830243935e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.628478263e+05</a1><a2>-1.174047323e+02</a2><a3>1.608988291e+01</a3><a4>-3.665516710e-05</a4><a5>8.221494970e-09</a5><a6>-9.537160520e-13</a6><a7>4.460145080e-17</a7><b1>-1.076293931e+05</b1><b2>-4.763374165e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>-4.772763820e+04</a1><a2>-1.534892435e+02</a2><a3>1.603372733e+01</a3><a4>-3.833472040e-06</a4><a5>2.377658266e-10</a5><a6>-7.638474870e-15</a6><a7>9.946126940e-20</a7><b1>-1.071959701e+05</b1><b2>-4.725516365e+01</b2></T_range></specie><specie inp_file_name="UF5-"><identification><InChIKey>JNVYCANIFQDNST-UHFFFAOYSA-I</InChIKey><canonical_smiles>F[U](F)(F)(F)F</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>pentafluorouranium</IUPAC_name></identification><comment>Gurvich,1982 pt1 p221 pt2 p255.</comment><reference>tpis82</reference><elements><element U="1" /><element F="5" /><element E="1" /></elements><condensed>False</condensed><molecular_weight>0.3330214746</molecular_weight><hf298.15>-2289431.237</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>-3.142130934e+05</a1><a2>2.020611008e+03</a2><a3>7.508491820e+00</a3><a4>1.640034396e-02</a4><a5>-1.562795472e-05</a5><a6>7.990246010e-09</a6><a7>-1.671674534e-12</a7><b1>-2.907647496e+05</b1><b2>4.690020575e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.331518187e+06</a1><a2>3.905516860e+03</a2><a3>1.058727667e+01</a3><a4>4.112507270e-03</a4><a5>-1.093277930e-06</a5><a6>1.314215436e-10</a6><a7>-6.075778270e-15</a7><b1>-3.049506955e+05</b1><b2>-7.977511665e+00</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>-4.492648300e+07</a1><a2>2.277621599e+04</a2><a3>1.388769935e+01</a3><a4>1.254140874e-04</a4><a5>-5.100027930e-09</a5><a6>1.319174409e-13</a6><a7>-1.591595740e-18</a7><b1>-4.696748520e+05</b1><b2>-2.232978306e+01</b2></T_range></specie><specie inp_file_name="UF6"><identification><InChIKey>SANRKQGLYCLAFE-UHFFFAOYSA-H</InChIKey><canonical_smiles>F[U](F)(F)(F)(F)F</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>hexafluorouranium</IUPAC_name></identification><comment>Gurvich,1982 pt1 p223 pt2 p257.</comment><reference>tpis82</reference><elements><element U="1" /><element F="6" /></elements><condensed>False</condensed><molecular_weight>0.3520193292</molecular_weight><hf298.15>-2148641.648</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.915674060e+05</a1><a2>-3.426391610e+03</a2><a3>2.800395890e+01</a3><a4>-1.326392086e-02</a4><a5>1.107123764e-05</a5><a6>-4.821754110e-09</a6><a7>8.325132450e-13</a7><b1>-2.461045194e+05</b1><b2>-1.211612947e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-3.409027920e+05</a1><a2>-1.458950046e+02</a2><a3>1.910902533e+01</a3><a4>-4.358451130e-05</a4><a5>9.617604660e-09</a5><a6>-1.100915551e-12</a6><a7>5.092645080e-17</a7><b1>-2.643645561e+05</b1><b2>-6.579130396e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>-2.639780713e+05</a1><a2>-8.680089820e+01</a2><a3>1.901877513e+01</a3><a4>-2.107561344e-06</a4><a5>1.295346553e-10</a5><a6>-4.136090060e-15</a6><a7>5.365237680e-20</a7><b1>-2.646640074e+05</b1><b2>-6.513581536e+01</b2></T_range></specie><specie inp_file_name="UF6-"><identification><InChIKey>SANRKQGLYCLAFE-UHFFFAOYSA-H</InChIKey><canonical_smiles>F[U](F)(F)(F)(F)F</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>hexafluorouranium</IUPAC_name></identification><comment>Gurvich,1982 pt1 p224 pt2 p258.</comment><reference>tpis82</reference><elements><element U="1" /><element F="6" /><element E="1" /></elements><condensed>False</condensed><molecular_weight>0.3520198778</molecular_weight><hf298.15>-2691306.150</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>1.569230858e+05</a1><a2>-3.027279940e+03</a2><a3>2.701442427e+01</a3><a4>-1.136860992e-02</a4><a5>8.298576160e-06</a5><a6>-2.582889593e-09</a6><a7>2.790817248e-13</a7><b1>-3.135307376e+05</b1><b2>-1.128934794e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>2.699676848e+06</a1><a2>-6.574459670e+03</a2><a3>2.241731997e+01</a3><a4>6.057799710e-04</a4><a5>-4.517491710e-07</a5><a6>7.821820470e-11</a6><a7>-4.560334720e-15</a7><b1>-2.855667984e+05</b1><b2>-9.182896336e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>-7.865804610e+07</a1><a2>4.174825500e+04</a2><a3>1.201141201e+01</a3><a4>6.958372750e-04</a4><a5>-4.049760430e-08</a5><a6>1.262006447e-12</a6><a7>-1.620083625e-17</a7><b1>-6.704395130e+05</b1><b2>1.746878673e+00</b2></T_range></specie><specie inp_file_name="UO"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1982 pt1 p186 pt2 p205.</comment><reference>tpis82</reference><elements><element U="1" /><element O="1" /></elements><condensed>False</condensed><molecular_weight>0.25402831</molecular_weight><hf298.15>30488.589</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.007249615e+06</a1><a2>-1.287190666e+04</a2><a3>5.993123920e+01</a3><a4>-1.003445164e-01</a4><a5>8.529345550e-05</a5><a6>-2.634105066e-08</a6><a7>-5.350649790e-13</a7><b1>6.627442520e+04</b1><b2>-3.226786779e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.458660003e+06</a1><a2>3.942652160e+03</a2><a3>5.016030720e+00</a3><a4>-5.450639470e-04</a4><a5>2.096321351e-07</a5><a6>-2.654652526e-11</a6><a7>1.361108472e-15</a7><b1>-2.665149645e+04</b1><b2>5.580598689e+00</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>1.643829702e+08</a1><a2>-6.893889290e+04</a2><a3>1.274655043e+01</a3><a4>3.898071910e-04</a4><a5>-8.455141670e-08</a5><a6>4.053706450e-12</a6><a7>-6.354764880e-17</a7><b1>5.854610850e+05</b1><b2>-7.355640184e+01</b2></T_range></specie><specie inp_file_name="UO+"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1982 pt1 p189 pt2 p207.</comment><reference>tpis82</reference><elements><element U="1" /><element O="1" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.2540277614</molecular_weight><hf298.15>580971.927</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>1.562834007e+04</a1><a2>-1.224921454e+02</a2><a3>3.324146160e+00</a3><a4>2.467496097e-03</a4><a5>-6.851856740e-07</a5><a6>5.552073190e-11</a6><a7>-5.893012030e-14</a7><b1>6.952999740e+04</b1><b2>9.583869879e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.063714748e+05</a1><a2>-1.793716133e+03</a2><a3>8.024449050e+00</a3><a4>-1.565116442e-03</a4><a5>5.066033910e-07</a5><a6>-7.373977470e-11</a6><a7>4.074766430e-15</a7><b1>7.789085840e+04</b1><b2>-2.115284250e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>-4.623486280e+07</a1><a2>4.390299020e+04</a2><a3>-9.206507600e+00</a3><a4>2.335209239e-03</a4><a5>-1.678226513e-07</a5><a6>5.653921370e-12</a6><a7>-7.297202790e-17</a7><b1>-2.648708363e+05</b1><b2>1.200887991e+02</b2></T_range></specie><specie inp_file_name="UOF"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1982 pt1 p225 pt2 p259.</comment><reference>tpis82</reference><elements><element U="1" /><element O="1" /><element F="1" /></elements><condensed>False</condensed><molecular_weight>0.2730267132</molecular_weight><hf298.15>-542182.744</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>3.861248470e+02</a1><a2>5.162286900e+01</a2><a3>4.888962520e+00</a3><a4>7.265633560e-03</a4><a5>-1.134176875e-05</a5><a6>8.509041750e-09</a6><a7>-2.354655485e-12</a7><b1>-6.719813380e+04</b1><b2>8.269521875e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-3.805936010e+06</a1><a2>1.295207909e+04</a2><a3>-1.025373631e+01</a3><a4>1.047841671e-02</a4><a5>-2.648894949e-06</a5><a6>3.114551623e-10</a6><a7>-1.416111895e-14</a7><b1>-1.478976701e+05</b1><b2>1.184570601e+02</b2></T_range></specie><specie inp_file_name="UOF2"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1982 pt1 p226 pt2 p261.</comment><reference>tpis82</reference><elements><element U="1" /><element O="1" /><element F="2" /></elements><condensed>False</condensed><molecular_weight>0.2920251164</molecular_weight><hf298.15>-1115510.264</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-9.106618310e+04</a1><a2>-1.014150169e+02</a2><a3>1.371057013e+01</a3><a4>-1.659931694e-02</a4><a5>3.082352584e-05</a5><a6>-2.490530206e-08</a6><a7>7.580617640e-12</a7><b1>-1.374686016e+05</b1><b2>-3.470029665e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.198944060e+06</a1><a2>3.852173410e+03</a2><a3>4.639109750e+00</a3><a4>4.087738440e-03</a4><a5>-1.087067018e-06</a5><a6>1.306398384e-10</a6><a7>-6.036901520e-15</a7><b1>-1.612637583e+05</b1><b2>2.018237189e+01</b2></T_range></specie><specie inp_file_name="UOF3"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1982 pt1 p229 pt2 p264.</comment><reference>tpis82</reference><elements><element U="1" /><element O="1" /><element F="3" /></elements><condensed>False</condensed><molecular_weight>0.31102351959999996</molecular_weight><hf298.15>-1510638.039</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.249256374e+05</a1><a2>-2.111719498e+03</a2><a3>1.844931536e+01</a3><a4>-1.041493583e-02</a4><a5>1.469002962e-05</a5><a6>-1.049770051e-08</a6><a7>2.922353602e-12</a7><b1>-1.743844024e+05</b1><b2>-6.649285435e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.658296049e+06</a1><a2>3.714434680e+03</a2><a3>9.202425540e+00</a3><a4>2.412862293e-03</a4><a5>-5.666241720e-07</a5><a6>5.989062110e-11</a6><a7>-2.424534810e-15</a7><b1>-2.105491714e+05</b1><b2>-5.670532802e+00</b2></T_range></specie><specie inp_file_name="UOF4"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1982 pt1 p230 pt2 p265.</comment><reference>tpis82</reference><elements><element U="1" /><element O="1" /><element F="4" /></elements><condensed>False</condensed><molecular_weight>0.33002192280000003</molecular_weight><hf298.15>-1785611.531</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.437164405e+05</a1><a2>-2.496730363e+03</a2><a3>2.104827038e+01</a3><a4>-4.692561330e-03</a4><a5>8.741718650e-07</a5><a6>1.517555623e-09</a6><a7>-7.768799740e-13</a7><b1>-2.061284178e+05</b1><b2>-8.246219615e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.996190288e+05</a1><a2>-1.677276501e+02</a2><a3>1.612494871e+01</a3><a4>-4.984414460e-05</a4><a5>1.098253497e-08</a5><a6>-1.255803231e-12</a6><a7>5.804480980e-17</a7><b1>-2.195459260e+05</b1><b2>-5.024484645e+01</b2></T_range></specie><specie inp_file_name="UO2"><identification><InChIKey>FCTBKIHDJGHPPO-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[U]=O</canonical_smiles><cas_number>1344-57-6</cas_number><IUPAC_name>dioxouranium</IUPAC_name></identification><comment>Gurvich,1982 pt1 p193 pt2 p211.</comment><reference>tpis82</reference><elements><element U="1" /><element O="2" /></elements><condensed>False</condensed><molecular_weight>0.27002771000000003</molecular_weight><hf298.15>-477819.903</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.129650727e+05</a1><a2>4.270730270e+02</a2><a3>8.413694010e+00</a3><a4>-9.764280000e-03</a4><a5>2.199903691e-05</a5><a6>-1.907665954e-08</a6><a7>6.029889910e-12</a7><b1>-6.251443300e+04</b1><b2>-1.300704863e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.190542635e+06</a1><a2>3.832186350e+03</a2><a3>2.153236312e+00</a3><a4>4.082351910e-03</a4><a5>-1.085924847e-06</a5><a6>1.305134065e-10</a6><a7>-6.031215750e-15</a7><b1>-8.367618010e+04</b1><b2>2.590742388e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>-4.415894110e+07</a1><a2>2.241359238e+04</a2><a3>5.468051300e+00</a3><a4>1.162219348e-04</a4><a5>-4.527223330e-09</a5><a6>1.134573678e-13</a6><a7>-1.350744532e-18</a7><b1>-2.459740375e+05</b1><b2>1.133700240e+01</b2></T_range></specie><specie 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Tlow="1000.0"><a1>-1.589957420e+06</a1><a2>3.657746070e+03</a2><a3>3.746785420e+00</a3><a4>2.394401448e-03</a4><a5>-5.624101440e-07</a5><a6>5.939451640e-11</a6><a7>-2.401047056e-15</a7><b1>-2.048558817e+04</b1><b2>1.464015614e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>-2.778324150e+07</a1><a2>1.456161876e+04</a2><a3>6.203516610e+00</a3><a4>5.043474040e-05</a4><a5>-4.877674180e-11</a5><a6>-5.408292310e-14</a6><a7>1.141506994e-18</a7><b1>-1.172230791e+05</b1><b2>2.164589095e+00</b2></T_range></specie><specie inp_file_name="UO2-"><identification><InChIKey>FCTBKIHDJGHPPO-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[U]=O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dioxouranium</IUPAC_name></identification><comment>Gurvich,1982 pt1 p195 pt2 p215.</comment><reference>tpis82</reference><elements><element U="1" /><element O="2" /><element E="1" /></elements><condensed>False</condensed><molecular_weight>0.2700282586</molecular_weight><hf298.15>-573700.021</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>6.341971310e+04</a1><a2>-7.196118500e+02</a2><a3>8.308241620e+00</a3><a4>9.626455450e-04</a4><a5>-3.583733980e-06</a5><a6>3.473554580e-09</a6><a7>-1.022793120e-12</a7><b1>-6.718169870e+04</b1><b2>-1.606030120e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.738251640e+05</a1><a2>3.228534420e+03</a2><a3>-2.805114576e-01</a3><a4>6.607310710e-03</a4><a5>-2.070291015e-06</a5><a6>2.851708013e-10</a6><a7>-1.466578192e-14</a7><b1>-8.893436180e+04</b1><b2>4.145760316e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>-1.053612192e+08</a1><a2>6.331803380e+04</a2><a3>-5.853591580e+00</a3><a4>1.472289928e-03</a4><a5>-8.933245500e-08</a5><a6>2.824078529e-12</a6><a7>-3.633249210e-17</a7><b1>-5.772299570e+05</b1><b2>1.092379584e+02</b2></T_range></specie><specie inp_file_name="UO2F"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1982 pt1 p226 pt2 p260.</comment><reference>tpis82</reference><elements><element U="1" /><element O="2" /><element F="1" /></elements><condensed>False</condensed><molecular_weight>0.2890261132</molecular_weight><hf298.15>-997934.842</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>8.321792390e+04</a1><a2>-1.327082127e+03</a2><a3>1.240125390e+01</a3><a4>-4.084151010e-03</a4><a5>7.331593480e-06</a5><a6>-5.987404880e-09</a6><a7>1.787869209e-12</a7><b1>-1.157526888e+05</b1><b2>-3.415298625e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.614277202e+06</a1><a2>3.712771860e+03</a2><a3>6.203308820e+00</a3><a4>2.412618055e-03</a4><a5>-5.665888020e-07</a5><a6>5.988823520e-11</a6><a7>-2.424485602e-15</a7><b1>-1.478357384e+05</b1><b2>8.736139132e+00</b2></T_range></specie><specie inp_file_name="UO2F2"><identification><InChIKey>KCKICANVXIVOLK-UHFFFAOYSA-L</InChIKey><canonical_smiles>O=[U+2]=O.[F-].[F-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dioxouranium(2+);difluoride</IUPAC_name></identification><comment>Gurvich,1982 pt1 p228 pt2 p263.</comment><reference>tpis82</reference><elements><element U="1" /><element O="2" /><element F="2" /></elements><condensed>False</condensed><molecular_weight>0.3080245164</molecular_weight><hf298.15>-1354232.027</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>9.959874300e+04</a1><a2>-1.530010701e+03</a2><a3>1.358992177e+01</a3><a4>5.370655800e-03</a4><a5>-1.141444341e-05</a5><a6>9.301197040e-09</a6><a7>-2.781220538e-12</a7><b1>-1.580310734e+05</b1><b2>-4.196260275e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.636552036e+05</a1><a2>-2.032835065e+02</a2><a3>1.315092994e+01</a3><a4>-6.006486830e-05</a4><a5>1.321137913e-08</a5><a6>-1.508668985e-12</a6><a7>6.966182750e-17</a7><b1>-1.664444818e+05</b1><b2>-3.566258175e+01</b2></T_range></specie><specie inp_file_name="UO3"><identification><InChIKey>JCMLRUNDSXARRW-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[U](=O)=O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>trioxouranium</IUPAC_name></identification><comment>Gurvich,1982 pt1 p197 pt2 p218.</comment><reference>tpis82</reference><elements><element U="1" /><element O="3" /></elements><condensed>False</condensed><molecular_weight>0.28602711</molecular_weight><hf298.15>-799239.411</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>6.637677040e+04</a1><a2>-7.582646580e+02</a2><a3>7.112844710e+00</a3><a4>1.322149697e-02</a4><a5>-2.106191042e-05</a5><a6>1.545856318e-08</a6><a7>-4.378566290e-12</a7><b1>-9.413369350e+04</b1><b2>-8.588030428e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.097362721e+06</a1><a2>2.808784061e+03</a2><a3>5.966121470e+00</a3><a4>2.861871152e-03</a4><a5>-1.052843810e-06</a5><a6>1.849985929e-10</a6><a7>-1.102849619e-14</a7><b1>-1.173360017e+05</b1><b2>6.672828312e+00</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>1.632929098e+09</a1><a2>-9.419553920e+05</a2><a3>2.142384145e+02</a3><a4>-2.094922993e-02</a4><a5>1.131511326e-06</a5><a6>-3.129107183e-11</a6><a7>3.504914590e-16</a7><b1>7.448065370e+06</b1><b2>-1.824526663e+03</b2></T_range></specie><specie inp_file_name="UO3-"><identification><InChIKey>JCMLRUNDSXARRW-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[U](=O)=O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>trioxouranium</IUPAC_name></identification><comment>Gurvich,1982 pt1 p198 pt2 p220.</comment><reference>tpis82</reference><elements><element U="1" /><element O="3" /><element E="1" /></elements><condensed>False</condensed><molecular_weight>0.2860276586</molecular_weight><hf298.15>-1305154.518</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>1.000143902e+05</a1><a2>-1.448443754e+03</a2><a3>1.217532415e+01</a3><a4>-2.944956748e-03</a4><a5>5.675228000e-06</a5><a6>-4.916710420e-09</a6><a7>1.525185713e-12</a7><b1>-1.519253376e+05</b1><b2>-3.471731375e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.632938634e+06</a1><a2>3.667495410e+03</a2><a3>6.240030650e+00</a3><a4>2.396952522e-03</a4><a5>-5.629490230e-07</a5><a6>5.945413130e-11</a6><a7>-2.403730982e-15</a7><b1>-1.845927385e+05</b1><b2>7.032059012e+00</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>-2.781940595e+07</a1><a2>1.456116475e+04</a2><a3>8.703650860e+00</a3><a4>5.041649230e-05</a4><a5>-4.751131470e-11</a5><a6>-5.412647410e-14</a6><a7>1.142098108e-18</a7><b1>-2.812591514e+05</b1><b2>-5.495926098e+00</b2></T_range></specie><specie inp_file_name="V"><identification><InChIKey>LEONUFNNVUYDNQ-UHFFFAOYSA-N</InChIKey><canonical_smiles>[V]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>vanadium</IUPAC_name></identification><comment>Hf:Gurvich,1982 p59. Sugar,1985. Gordon,1999.</comment><reference>g 7/97</reference><elements><element V="1" /></elements><condensed>False</condensed><molecular_weight>0.0509415</molecular_weight><hf298.15>517267.064</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-5.535376020e+04</a1><a2>5.593338510e+02</a2><a3>2.675543482e+00</a3><a4>-6.243049630e-03</a4><a5>1.565902337e-05</a5><a6>-1.372845314e-08</a6><a7>4.168388810e-12</a7><b1>5.820664360e+04</b1><b2>9.524567490e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.200390300e+06</a1><a2>-5.027005300e+03</a2><a3>1.058830594e+01</a3><a4>-5.044326100e-03</a4><a5>1.488547375e-06</a5><a6>-1.785922508e-10</a6><a7>8.113013866e-15</a7><b1>9.170740910e+04</b1><b2>-4.768336320e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>2.456040166e+09</a1><a2>-1.339992028e+06</a2><a3>2.781039851e+02</a3><a4>-2.638937359e-02</a4><a5>1.303527149e-06</a5><a6>-3.214680330e-11</a6><a7>3.099999094e-16</a7><b1>1.087152043e+07</b1><b2>-2.439954380e+03</b2></T_range></specie><specie inp_file_name="V+"><identification><InChIKey>LEONUFNNVUYDNQ-UHFFFAOYSA-N</InChIKey><canonical_smiles>[V]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>vanadium</IUPAC_name></identification><comment>Sugar,1985. Gordon,1999.</comment><reference>g 7/97</reference><elements><element V="1" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.050940951400000004</molecular_weight><hf298.15>1173745.411</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>7.568834460e+04</a1><a2>-8.415273820e+02</a2><a3>7.559232710e+00</a3><a4>-1.441722656e-02</a4><a5>2.038356397e-05</a5><a6>-1.289073883e-08</a6><a7>3.065656561e-12</a7><b1>1.444478191e+05</b1><b2>-1.991067645e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>2.347072054e+06</a1><a2>-9.021197190e+03</a2><a3>1.477349798e+01</a3><a4>-6.891896880e-03</a4><a5>1.968884877e-06</a5><a6>-2.539798544e-10</a6><a7>1.226783122e-14</a7><b1>1.958351444e+05</b1><b2>-7.855592930e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>2.516527258e+08</a1><a2>-1.866476656e+05</a2><a3>5.633587110e+01</a3><a4>-7.198536950e-03</a4><a5>5.074401490e-07</a5><a6>-1.699749225e-11</a6><a7>2.157800037e-16</a7><b1>1.585980536e+06</b1><b2>-4.512822600e+02</b2></T_range></specie><specie inp_file_name="V-"><identification><InChIKey>LEONUFNNVUYDNQ-UHFFFAOYSA-N</InChIKey><canonical_smiles>[V]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>vanadium</IUPAC_name></identification><comment>Hotop,1985. Gordon,1999.</comment><reference>g 9/97</reference><elements><element V="1" /><element E="1" /></elements><condensed>False</condensed><molecular_weight>0.0509420486</molecular_weight><hf298.15>460386.063</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>-3.799273560e+03</a1><a2>2.313840448e+02</a2><a3>1.725608190e+00</a3><a4>1.429275357e-03</a4><a5>-1.506038188e-06</a5><a6>8.491815170e-10</a6><a7>-1.987980413e-13</a7><b1>5.347402920e+04</b1><b2>1.261900982e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>2.600100430e+04</a1><a2>2.096334097e+00</a2><a3>2.498006548e+00</a3><a4>8.991278840e-07</a4><a5>-2.139749508e-10</a5><a6>2.581021334e-14</a6><a7>-1.240812796e-18</a7><b1>5.470007080e+04</b1><b2>7.977900240e+00</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>1.601102910e+04</a1><a2>5.820974900e+00</a2><a3>2.498705489e+00</a3><a4>1.484212570e-07</a4><a5>-9.272956840e-12</a5><a6>2.997799727e-16</a6><a7>-3.924862230e-21</a7><b1>5.466692550e+04</b1><b2>7.974557420e+00</b2></T_range></specie><specie inp_file_name="VCl4"><identification><InChIKey>JTJFQBNJBPPZRI-UHFFFAOYSA-J</InChIKey><canonical_smiles>Cl[V](Cl)(Cl)Cl</canonical_smiles><cas_number>53744-25-5</cas_number><IUPAC_name>tetrachlorovanadium</IUPAC_name></identification><comment>Nagarajan,1963. Creighton,1966. Blankenship,1962.</comment><reference>g10/00</reference><elements><element V="1" /><element Cl="4" /></elements><condensed>False</condensed><molecular_weight>0.1927535</molecular_weight><hf298.15>-527058.480</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>7.719834710e+04</a1><a2>-1.702854040e+03</a2><a3>1.882697965e+01</a3><a4>-1.130896832e-02</a4><a5>1.266950765e-05</a5><a6>-7.625019340e-09</a6><a7>1.907582465e-12</a7><b1>-5.863748540e+04</b1><b2>-6.559171106e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.717776251e+06</a1><a2>4.550441050e+03</a2><a3>8.164464800e+00</a3><a4>2.224875998e-03</a4><a5>-4.094111780e-07</a5><a6>3.271787500e-11</a6><a7>-8.858690800e-16</a7><b1>-9.690620060e+04</b1><b2>4.348293098e+00</b2></T_range></specie><specie inp_file_name="VN"><identification><InChIKey>SKKMWRVAJNPLFY-UHFFFAOYSA-N</InChIKey><canonical_smiles>N#[V]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>azanylidynevanadium</IUPAC_name></identification><comment>Chase,1998 p1616.</comment><reference>j12/73</reference><elements><element V="1" /><element N="1" /></elements><condensed>False</condensed><molecular_weight>0.0649482</molecular_weight><hf298.15>523000.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.581737285e+04</a1><a2>4.868165420e+02</a2><a3>-1.045200388e+00</a3><a4>1.685261043e-02</a4><a5>-2.334616543e-05</a5><a6>1.588710050e-08</a6><a7>-4.279080880e-12</a7><b1>5.981481400e+04</b1><b2>3.144995263e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.018619667e+06</a1><a2>-3.932305570e+03</a2><a3>9.856823610e+00</a3><a4>-3.289221710e-03</a4><a5>1.005181767e-06</a5><a6>-1.243211436e-10</a6><a7>5.486776560e-15</a7><b1>8.557318340e+04</b1><b2>-3.552830762e+01</b2></T_range></specie><specie inp_file_name="VO"><identification><InChIKey>IBYSTTGVDIFUAY-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[V]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>oxovanadium</IUPAC_name></identification><comment>Gurvich,1982 pt1 p62 pt2 p64.</comment><reference>tpis89</reference><elements><element V="1" /><element O="1" /></elements><condensed>False</condensed><molecular_weight>0.0669409</molecular_weight><hf298.15>148582.706</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.311619784e+04</a1><a2>3.747816970e+02</a2><a3>9.300834860e-02</a3><a4>1.244977714e-02</a4><a5>-1.688540028e-05</a5><a6>1.142443381e-08</a6><a7>-3.040589320e-12</a7><b1>1.523789920e+04</b1><b2>2.536811755e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>2.986190283e+06</a1><a2>-1.011344974e+04</a2><a3>1.718161749e+01</a3><a4>-7.876705030e-03</a4><a5>2.562279547e-06</a5><a6>-3.547400350e-10</a6><a7>1.770268056e-14</a7><b1>7.961254880e+04</b1><b2>-8.789993010e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>1.004530292e+08</a1><a2>-9.008780230e+04</a2><a3>3.186107720e+01</a3><a4>-2.862639937e-03</a4><a5>1.440482244e-07</a5><a6>-3.802861470e-12</a6><a7>4.195092660e-17</a7><b1>7.011401290e+05</b1><b2>-2.336810859e+02</b2></T_range></specie><specie inp_file_name="VO2"><identification><InChIKey>GRUMUEUJTSXQOI-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[V]=O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dioxovanadium</IUPAC_name></identification><comment>Gurvich,1982 pt1 p64 pt2 p66.</comment><reference>tpis82</reference><elements><element V="1" /><element O="2" /></elements><condensed>False</condensed><molecular_weight>0.0829403</molecular_weight><hf298.15>-232697.655</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-6.678585860e+03</a1><a2>3.911597580e+02</a2><a3>-1.028549847e+00</a3><a4>2.401523419e-02</a4><a5>-3.337378810e-05</a5><a6>2.283623543e-08</a6><a7>-6.199143100e-12</a7><b1>-3.074609276e+04</b1><b2>3.277912380e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.210632401e+05</a1><a2>-1.627832993e+03</a2><a3>9.252713100e+00</a3><a4>-1.572703139e-03</a4><a5>5.231430160e-07</a5><a6>-6.476071140e-11</a6><a7>2.847226026e-15</a7><b1>-2.097306345e+04</b1><b2>-2.547380687e+01</b2></T_range></specie><specie inp_file_name="V4O10"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1982 pt1 p69 pt2 p70.</comment><reference>g10/99</reference><elements><element V="4" /><element O="10" /></elements><condensed>False</condensed><molecular_weight>0.36376</molecular_weight><hf298.15>-2825164.486</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>3.385739160e+05</a1><a2>-5.353929260e+03</a2><a3>2.993220131e+01</a3><a4>5.818836520e-02</a4><a5>-9.696340160e-05</a5><a6>7.274756990e-08</a6><a7>-2.091628357e-11</a7><b1>-3.189349370e+05</b1><b2>-1.466398396e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.360273270e+06</a1><a2>-1.341692860e+03</a2><a3>4.099138590e+01</a3><a4>-3.932265530e-04</a4><a5>8.628494120e-08</a5><a6>-9.835944090e-12</a6><a7>4.535637290e-16</a7><b1>-3.484616120e+05</b1><b2>-1.907911348e+02</b2></T_range></specie><specie inp_file_name="W"><identification><InChIKey>WFKWXMTUELFFGS-UHFFFAOYSA-N</InChIKey><canonical_smiles>[W]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>tungsten</IUPAC_name></identification><comment>Hf:Gurvich,1982 p42. Moore,1971. Moore,1970a. Gordon,1999.</comment><reference>g 4/98</reference><elements><element W="1" /></elements><condensed>False</condensed><molecular_weight>0.18384</molecular_weight><hf298.15>851243.526</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.595223922e+05</a1><a2>-2.673843928e+03</a2><a3>2.060469727e+01</a3><a4>-6.252315230e-02</a4><a5>1.105654838e-04</a5><a6>-8.453511610e-08</a6><a7>2.336187771e-11</a7><b1>1.139648616e+05</b1><b2>-9.011836900e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-8.048745960e+06</a1><a2>1.465700424e+04</a2><a3>-2.508531501e-01</a3><a4>-2.596486992e-03</a4><a5>1.409225475e-06</a5><a6>-2.233011706e-10</a6><a7>1.262640862e-14</a7><b1>-3.091130919e+03</b1><b2>3.955822190e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>1.421636486e+09</a1><a2>-4.325365550e+05</a2><a3>-8.841615070e+00</a3><a4>1.645538940e-02</a4><a5>-1.908373835e-06</a5><a6>8.530482890e-11</a6><a7>-1.360501851e-15</a7><b1>3.994798750e+06</b1><b2>-1.266418236e+01</b2></T_range></specie><specie inp_file_name="W+"><identification><InChIKey>WFKWXMTUELFFGS-UHFFFAOYSA-N</InChIKey><canonical_smiles>[W]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>tungsten</IUPAC_name></identification><comment>Moore,1971. Gordon,1999.</comment><reference>g 7/97</reference><elements><element W="1" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.1838394514</molecular_weight><hf298.15>1627840.965</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>-1.969284929e+05</a1><a2>2.670137332e+03</a2><a3>-1.131686913e+01</a3><a4>3.308183730e-02</a4><a5>-3.629035500e-05</a5><a6>2.066142971e-08</a6><a7>-4.808285562e-12</a7><b1>1.820950862e+05</b1><b2>8.552104480e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>6.387743400e+06</a1><a2>-2.061811463e+04</a2><a3>2.759291576e+01</a3><a4>-1.244535845e-02</a4><a5>3.271200490e-06</a5><a6>-4.065463720e-10</a6><a7>1.912595872e-14</a7><b1>3.245174430e+05</b1><b2>-1.716919194e+02</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>6.839559150e+07</a1><a2>-8.981711810e+04</a2><a3>3.845720800e+01</a3><a4>-5.465752290e-03</a4><a5>4.024981150e-07</a5><a6>-1.342970538e-11</a6><a7>1.667637540e-16</a7><b1>8.546932820e+05</b1><b2>-2.892805521e+02</b2></T_range></specie><specie inp_file_name="W-"><identification><InChIKey>WFKWXMTUELFFGS-UHFFFAOYSA-N</InChIKey><canonical_smiles>[W]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>tungsten</IUPAC_name></identification><comment>Hotop,1985. Gordon,1999.</comment><reference>g 1/99</reference><elements><element W="1" /><element E="1" /></elements><condensed>False</condensed><molecular_weight>0.18384054860000001</molecular_weight><hf298.15>766391.528</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.500000000e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>9.142981370e+04</b1><b2>8.461169670e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.500000000e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>9.142981370e+04</b1><b2>8.461169670e+00</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.500000000e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>9.142981370e+04</b1><b2>8.461169670e+00</b2></T_range></specie><specie inp_file_name="WCl6"><identification><InChIKey>KPGXUAIFQMJJFB-UHFFFAOYSA-H</InChIKey><canonical_smiles>Cl[W](Cl)(Cl)(Cl)(Cl)Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>hexachlorotungsten</IUPAC_name></identification><comment>Chase,1998 p935.</comment><reference>j12/66</reference><elements><element W="1" /><element Cl="6" /></elements><condensed>False</condensed><molecular_weight>0.39655799999999997</molecular_weight><hf298.15>-493712.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>3.339391670e+04</a1><a2>-1.697366080e+03</a2><a3>2.560612352e+01</a3><a4>-1.425247881e-02</a4><a5>1.739682668e-05</a5><a6>-1.120537864e-08</a6><a7>2.951522890e-12</a7><b1>-5.673059240e+04</b1><b2>-9.741466299e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.516735473e+05</a1><a2>-3.451379250e+01</a2><a3>1.902867176e+01</a3><a4>-1.242486969e-05</a4><a5>2.917675103e-09</a5><a6>-3.505981440e-13</a6><a7>1.685355887e-17</a7><b1>-6.535779790e+04</b1><b2>-5.894914959e+01</b2></T_range></specie><specie inp_file_name="WO"><identification><InChIKey>VVRQVWSVLMGPRN-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[W]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>oxotungsten</IUPAC_name></identification><comment>Gurvich,1982 pt1 p43 pt2 p47.</comment><reference>tpis82</reference><elements><element W="1" /><element O="1" /></elements><condensed>False</condensed><molecular_weight>0.1998394</molecular_weight><hf298.15>401735.711</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-1.933758411e+04</a1><a2>4.936690840e+02</a2><a3>-4.116148220e-01</a3><a4>1.307976507e-02</a4><a5>-1.689145619e-05</a5><a6>1.092748066e-08</a6><a7>-2.820593541e-12</a7><b1>4.511017900e+04</b1><b2>3.002592661e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.262156956e+06</a1><a2>-4.177263120e+03</a2><a3>9.358286470e+00</a3><a4>-2.887612220e-03</a4><a5>8.893933960e-07</a5><a6>-8.955318700e-11</a6><a7>2.504359614e-15</a7><b1>7.313380640e+04</b1><b2>-3.144882290e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>1.942009403e+08</a1><a2>-1.501316158e+05</a2><a3>4.237023540e+01</a3><a4>-3.309676390e-03</a4><a5>1.396809578e-07</a5><a6>-3.039263166e-12</a6><a7>2.703787815e-17</a7><b1>1.214349290e+06</b1><b2>-3.296819210e+02</b2></T_range></specie><specie inp_file_name="WOCl4"><identification><InChIKey>HVKUASLEFSCIMW-UHFFFAOYSA-J</InChIKey><canonical_smiles>[O-2].[Cl-].[Cl-].[Cl-].[Cl-].[W]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>oxygen(2-);tungsten;tetrachloride</IUPAC_name></identification><comment>Chase,1998 p900.</comment><reference>j 3/67</reference><elements><element W="1" /><element O="1" /><element Cl="4" /></elements><condensed>False</condensed><molecular_weight>0.34165140000000005</molecular_weight><hf298.15>-573493.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>2.658812693e+04</a1><a2>-9.336913240e+02</a2><a3>1.321377385e+01</a3><a4>1.270930811e-02</a4><a5>-1.964716509e-05</a5><a6>1.405106974e-08</a6><a7>-3.899382140e-12</a7><b1>-6.792290790e+04</b1><b2>-3.594869683e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-3.049028285e+05</a1><a2>-3.539425860e+02</a2><a3>1.626432703e+01</a3><a4>-1.058245461e-04</a4><a5>2.340548846e-08</a5><a6>-2.685852021e-12</a6><a7>1.245412684e-16</a7><b1>-7.272546740e+04</b1><b2>-4.991761253e+01</b2></T_range></specie><specie inp_file_name="WO2"><identification><InChIKey>DZKDPOPGYFUOGI-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[W]=O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dioxotungsten</IUPAC_name></identification><comment>Gurvich,1982 pt1 p47 pt2 p50.</comment><reference>tpis82</reference><elements><element W="1" /><element O="2" /></elements><condensed>False</condensed><molecular_weight>0.2158388</molecular_weight><hf298.15>29061.744</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>3.120918919e+03</a1><a2>2.413883468e+02</a2><a3>-3.024119184e-01</a3><a4>2.324333417e-02</a4><a5>-3.378812680e-05</a5><a6>2.380934019e-08</a6><a7>-6.421592880e-12</a7><b1>1.442005265e+03</b1><b2>2.957655179e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-7.537406680e+05</a1><a2>3.204643050e+03</a2><a3>6.701965600e-01</a3><a4>4.488238870e-03</a4><a5>-8.858328460e-07</a5><a6>6.245171750e-11</a6><a7>-9.046613900e-16</a7><b1>-1.769420230e+04</b1><b2>3.405724010e+01</b2></T_range></specie><specie inp_file_name="WO2Cl2"><identification><InChIKey>DVBXMVWZPVBSJY-UHFFFAOYSA-L</InChIKey><canonical_smiles>[O-2].[O-2].[Cl-].[Cl-].[W]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>oxygen(2-);tungsten;dichloride</IUPAC_name></identification><comment>Chase,1998 p849.</comment><reference>j 3/67</reference><elements><element W="1" /><element O="2" /><element Cl="2" /></elements><condensed>False</condensed><molecular_weight>0.2867448</molecular_weight><hf298.15>-671532.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>4.300154480e+02</a1><a2>-2.438547856e+02</a2><a3>7.976306990e+00</a3><a4>1.715005722e-02</a4><a5>-2.487975176e-05</a5><a6>1.737644163e-08</a6><a7>-4.771928400e-12</a7><b1>-8.232812400e+04</b1><b2>-7.844771421e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-2.404791730e+05</a1><a2>-3.068379644e+02</a2><a3>1.322814502e+01</a3><a4>-9.100220710e-05</a4><a5>2.006581020e-08</a5><a6>-2.296837607e-12</a6><a7>1.062829386e-16</a7><b1>-8.367493060e+04</b1><b2>-3.491556626e+01</b2></T_range></specie><specie inp_file_name="WO3"><identification><InChIKey>ZNOKGRXACCSDPY-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[W](=O)=O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>trioxotungsten</IUPAC_name></identification><comment>Gurvich,1982 pt1 p50 pt2 p52.</comment><reference>tpis82</reference><elements><element W="1" /><element O="3" /></elements><condensed>False</condensed><molecular_weight>0.2318382</molecular_weight><hf298.15>-319725.213</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>7.262461460e+03</a1><a2>3.429391090e+01</a2><a3>1.573061955e+00</a3><a4>2.754971099e-02</a4><a5>-3.994827310e-05</a5><a6>2.809371537e-08</a6><a7>-7.777545730e-12</a7><b1>-4.001733270e+04</b1><b2>1.857409963e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>1.732203640e+06</a1><a2>-6.284719780e+03</a2><a3>1.681358864e+01</a3><a4>-3.472089360e-03</a4><a5>8.079935800e-07</a5><a6>-6.589378720e-11</a6><a7>1.142928957e-15</a7><b1>-2.473075565e+03</b1><b2>-7.407474090e+01</b2></T_range></specie><specie inp_file_name="WO3-"><identification><InChIKey>ZNOKGRXACCSDPY-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[W](=O)=O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>trioxotungsten</IUPAC_name></identification><comment>Gurvich,1982 pt1 p51 pt2 p53.</comment><reference>tpis82</reference><elements><element W="1" /><element O="3" /><element E="1" /></elements><condensed>False</condensed><molecular_weight>0.2318387486</molecular_weight><hf298.15>-650475.961</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>1.630999684e+05</a1><a2>-1.967609682e+03</a2><a3>1.201970914e+01</a3><a4>1.681260779e-03</a4><a5>-5.859360060e-06</a5><a6>5.028616330e-09</a6><a7>-1.434012198e-12</a7><b1>-7.009203990e+04</b1><b2>-3.936901040e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>4.637832510e+05</a1><a2>-1.347089334e+03</a2><a3>9.773637560e+00</a3><a4>1.071395459e-03</a4><a5>-3.842403660e-07</a5><a6>5.737531900e-11</a6><a7>-3.157605982e-15</a7><b1>-7.239515570e+04</b1><b2>-2.391116343e+01</b2></T_range></specie><specie inp_file_name="(WO3)2"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1982 pt1 p52 pt2 p54.</comment><reference>tpis82</reference><elements><element W="2" /><element O="6" /></elements><condensed>False</condensed><molecular_weight>0.4636764</molecular_weight><hf298.15>-1210443.298</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>8.088414510e+04</a1><a2>-9.060340790e+02</a2><a3>7.601575390e+00</a3><a4>5.241008510e-02</a4><a5>-7.922356390e-05</a5><a6>5.708640180e-08</a6><a7>-1.606775042e-11</a7><b1>-1.441496996e+05</b1><b2>-1.093524051e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-6.674072430e+05</a1><a2>-7.032518360e+02</a2><a3>2.251617461e+01</a3><a4>-2.035473339e-04</a4><a5>4.444320340e-08</a5><a6>-5.045188080e-12</a6><a7>2.318375739e-16</a7><b1>-1.502699479e+05</b1><b2>-8.613988980e+01</b2></T_range></specie><specie inp_file_name="(WO3)3"><identification><InChIKey>QGLKJKCYBOYXKC-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[W]1(=O)O[W](=O)(=O)O[W](=O)(=O)O1</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>1,3,5-trioxa-2$l^{6},4$l^{6},6$l^{6}-tritungstacyclohexane 2,2,4,4,6,6-hexaoxide</IUPAC_name></identification><comment>Gurvich,1982 pt1 p53 pt2 p55.</comment><reference>tpis82</reference><elements><element W="3" /><element O="9" /></elements><condensed>False</condensed><molecular_weight>0.6955146</molecular_weight><hf298.15>-2013291.101</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>3.485390010e+04</a1><a2>-1.933496319e+02</a2><a3>8.206544780e+00</a3><a4>8.599515510e-02</a4><a5>-1.257565252e-04</a5><a6>8.891567220e-08</a6><a7>-2.471213564e-11</a7><b1>-2.462453469e+05</b1><b2>-5.657325260e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-9.450263310e+05</a1><a2>-1.133837222e+03</a2><a3>3.483479230e+01</a3><a4>-3.301361100e-04</a4><a5>7.226602130e-08</a5><a6>-8.221581630e-12</a6><a7>3.785050840e-16</a7><b1>-2.488486308e+05</b1><b2>-1.441551053e+02</b2></T_range></specie><specie inp_file_name="(WO3)4"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1982 pt1 p54 pt2 p56.</comment><reference>tpis82</reference><elements><element W="4" /><element O="12" /></elements><condensed>False</condensed><molecular_weight>0.9273528</molecular_weight><hf298.15>-2817433.885</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.388606167e+04</a1><a2>2.287518563e+02</a2><a3>8.662370000e+00</a3><a4>1.219700696e-01</a4><a5>-1.770499494e-04</a5><a6>1.246790033e-07</a6><a7>-3.456182860e-11</a7><b1>-3.467839600e+05</b1><b2>-3.603937290e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.277530217e+06</a1><a2>-1.566538532e+03</a2><a3>4.715363520e+01</a3><a4>-4.563263220e-04</a4><a5>9.990758360e-08</a5><a6>-1.136816181e-11</a6><a7>5.234399340e-16</a7><b1>-3.477418470e+05</b1><b2>-2.051588395e+02</b2></T_range></specie><specie inp_file_name="(WO3)5"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1982 pt1 p56 pt2 p57.</comment><reference>tpis82</reference><elements><element W="5" /><element O="15" /></elements><condensed>False</condensed><molecular_weight>1.159191</molecular_weight><hf298.15>-3551492.326</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.497576743e+04</a1><a2>2.719999782e+02</a2><a3>1.138626896e+01</a3><a4>1.523302100e-01</a4><a5>-2.211447753e-04</a5><a6>1.557377753e-07</a6><a7>-4.317244680e-11</a7><b1>-4.371424320e+05</b1><b2>-1.441643481e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.600667953e+06</a1><a2>-1.958437864e+03</a2><a3>5.944227390e+01</a3><a4>-5.705105630e-04</a4><a5>1.249090916e-07</a5><a6>-1.421320416e-11</a6><a7>6.544458260e-16</a7><b1>-4.384095860e+05</b1><b2>-2.660238838e+02</b2></T_range></specie><specie inp_file_name="Xe"><identification><InChIKey>FHNFHKCVQCLJFQ-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Xe]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>xenon</IUPAC_name></identification><comment>Ref-Elm. Moore,1971. Moore,1970a. Gordon,1999.</comment><reference>g 1/99</reference><elements><element Xe="1" /></elements><condensed>False</condensed><molecular_weight>0.131293</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.500000000e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-7.453750000e+02</b1><b2>6.164454205e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>4.025226680e+03</a1><a2>-1.209507521e+01</a2><a3>2.514153347e+00</a3><a4>-8.248102080e-06</a4><a5>2.530232618e-09</a5><a6>-3.892333230e-13</a6><a7>2.360439138e-17</a7><b1>-6.685800730e+02</b1><b2>6.063710715e+00</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>2.540397456e+08</a1><a2>-1.105373774e+05</a2><a3>1.382644099e+01</a3><a4>1.500614606e-03</a4><a5>-3.935359030e-07</a5><a6>2.765790584e-11</a6><a7>-5.943990574e-16</a7><b1>9.285443830e+05</b1><b2>-1.109834556e+02</b2></T_range></specie><specie inp_file_name="Xe+"><identification><InChIKey>FHNFHKCVQCLJFQ-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Xe]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>xenon</IUPAC_name></identification><comment>Moore,1971. Moore,1970a. Gordon,1999.</comment><reference>g 3/97</reference><elements><element Xe="1" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.1312924514</molecular_weight><hf298.15>1176552.232</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>1.002923620e+02</a1><a2>-1.218753648e+00</a2><a3>2.506016493e+00</a3><a4>-1.547411334e-05</a4><a5>2.191372741e-08</a5><a6>-1.623684074e-11</a6><a7>4.929132670e-15</a7><b1>1.407665368e+05</b1><b2>7.516712465e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.241683887e+04</a1><a2>-1.500654643e+02</a2><a3>2.964678293e+00</a3><a4>-4.693396660e-04</a4><a5>1.959138719e-07</a5><a6>-3.037761925e-11</a6><a7>1.637361082e-15</a7><b1>1.414966808e+05</b1><b2>4.565685735e+00</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>-2.562275878e+08</a1><a2>1.570476914e+05</a2><a3>-3.635537230e+01</a3><a4>5.019392580e-03</a4><a5>-3.438107240e-07</a5><a6>1.140544651e-11</a6><a7>-1.295661530e-16</a7><b1>-1.103556546e+06</b1><b2>3.436188813e+02</b2></T_range></specie><specie inp_file_name="Zn"><identification><InChIKey>HCHKCACWOHOZIP-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Zn]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>zinc</IUPAC_name></identification><comment>Hf:Cox,1989. Sugar,1995. Gordon,1999.</comment><reference>g 6/97</reference><elements><element Zn="1" /></elements><condensed>False</condensed><molecular_weight>0.06539</molecular_weight><hf298.15>130400.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.500000000e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>1.493805072e+04</b1><b2>5.118861010e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-1.755591489e+05</a1><a2>4.984139240e+02</a2><a3>1.969386292e+00</a3><a4>2.608808787e-04</a4><a5>-5.627195080e-08</a5><a6>2.723336049e-12</a6><a7>4.266685808e-16</a7><b1>1.173773458e+04</b1><b2>8.961085650e+00</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>-2.087287962e+08</a1><a2>1.578178131e+05</a2><a3>-3.622033110e+01</a3><a4>3.345230020e-03</a4><a5>-8.567422720e-09</a5><a6>-7.122544740e-12</a6><a7>1.691187274e-16</a7><b1>-1.217847671e+06</b1><b2>3.459439960e+02</b2></T_range></specie><specie inp_file_name="Zn+"><identification><InChIKey>HCHKCACWOHOZIP-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Zn]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>zinc</IUPAC_name></identification><comment>Sugar,1995. Gordon,1999.</comment><reference>g 6/97</reference><elements><element Zn="1" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.06538945139999999</molecular_weight><hf298.15>1043000.128</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>4.098344940e-04</a1><a2>-4.343581620e-06</a2><a3>2.500000019e+00</a3><a4>-4.389036810e-11</a4><a5>5.563969200e-14</a5><a6>-3.638228260e-17</a6><a7>9.607881995e-21</a7><b1>1.246979918e+05</b1><b2>5.811995500e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-3.436179460e+05</a1><a2>9.567355240e+02</a2><a3>1.511478952e+00</a3><a4>4.613467960e-04</a4><a5>-8.786800980e-08</a5><a6>7.558567780e-13</a6><a7>1.168827311e-15</a7><b1>1.185321933e+05</b1><b2>1.300742670e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>-3.011747676e+09</a1><a2>2.074729347e+06</a2><a3>-5.589526960e+02</a3><a4>7.501396440e-02</a4><a5>-5.136763100e-06</a5><a6>1.741662147e-10</a6><a7>-2.323920111e-15</a7><b1>-1.609057856e+07</b1><b2>4.824788010e+03</b2></T_range></specie><specie inp_file_name="Zr"><identification><InChIKey>QCWXUUIWCKQGHC-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Zr]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>zirconium</IUPAC_name></identification><comment>Hf:Gurvich,1982. Moore,1971. Hackett,1986. Gordon,1999.</comment><reference>g 1/98</reference><elements><element Zr="1" /></elements><condensed>False</condensed><molecular_weight>0.091224</molecular_weight><hf298.15>599318.611</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>6.715899960e+04</a1><a2>-9.435981740e+02</a2><a3>6.359756180e+00</a3><a4>-9.790119730e-04</a4><a5>-7.608224150e-06</a5><a6>9.308717430e-09</a6><a7>-3.124675586e-12</a7><b1>7.588019470e+04</b1><b2>-1.665770522e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>6.006771840e+06</a1><a2>-1.566960605e+04</a2><a3>1.796982350e+01</a3><a4>-6.763409650e-03</a4><a5>1.733678968e-06</a5><a6>-2.064699786e-10</a6><a7>9.334092610e-15</a7><b1>1.734636249e+05</b1><b2>-1.051117377e+02</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>5.207701380e+08</a1><a2>-2.825652444e+05</a2><a3>6.077054350e+01</a3><a4>-5.081211410e-03</a4><a5>2.345845819e-07</a5><a6>-6.237212120e-12</a6><a7>8.010718759e-17</a7><b1>2.351487351e+06</b1><b2>-5.093183060e+02</b2></T_range></specie><specie inp_file_name="Zr+"><identification><InChIKey>QCWXUUIWCKQGHC-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Zr]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>zirconium</IUPAC_name></identification><comment>Moore,1971. Moore,1970a. Gordon,1999.</comment><reference>g 1/98</reference><elements><element Zr="1" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.0912234514</molecular_weight><hf298.15>1246246.292</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>1.739842193e+05</a1><a2>-2.224598466e+03</a2><a3>1.400787829e+01</a3><a4>-2.378785396e-02</a4><a5>2.641058912e-05</a5><a6>-1.442565487e-08</a6><a7>3.135982142e-12</a7><b1>1.598210714e+05</b1><b2>-5.816728810e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>7.298137160e+05</a1><a2>-2.017117556e+03</a2><a3>5.037498300e+00</a3><a4>-5.503371950e-04</a4><a5>1.023753499e-07</a5><a6>-1.261537793e-11</a6><a7>7.092401042e-16</a7><b1>1.620884945e+05</b1><b2>-9.820640860e+00</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>-2.294818875e+07</a1><a2>1.860972745e+04</a2><a3>-1.661509984e+00</a3><a4>6.020341290e-04</a4><a5>-3.930742580e-08</a5><a6>1.543806931e-12</a6><a7>-2.618341088e-17</a7><b1>4.907298890e+03</b1><b2>4.642130480e+01</b2></T_range></specie><specie inp_file_name="Zr-"><identification><InChIKey>QCWXUUIWCKQGHC-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Zr]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>zirconium</IUPAC_name></identification><comment>Hotop,1985. Gordon,1999.</comment><reference>g 2/98</reference><elements><element Zr="1" /><element E="1" /></elements><condensed>False</condensed><molecular_weight>0.09122454860000001</molecular_weight><hf298.15>552952.398</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>3.046662367e+04</a1><a2>-8.074277210e+02</a2><a3>9.213006110e+00</a3><a4>-1.614342054e-02</a4><a5>1.908653551e-05</a5><a6>-1.138888914e-08</a6><a7>2.745019116e-12</a7><b1>6.903034030e+04</b1><b2>-2.862644371e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>8.471861160e+04</a1><a2>3.175439340e+02</a2><a3>2.251491246e+00</a3><a4>1.018645389e-04</a4><a5>-2.285208242e-08</a5><a6>2.647293502e-12</a6><a7>-1.235813604e-16</a7><b1>6.422337600e+04</b1><b2>1.081261057e+01</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>-4.386641560e+05</a1><a2>3.768748730e+02</a2><a3>2.417088403e+00</a3><a4>9.411538660e-06</a4><a5>-5.824251210e-10</a5><a6>1.866281342e-14</a6><a7>-2.423724320e-19</a7><b1>6.334701050e+04</b1><b2>9.677778690e+00</b2></T_range></specie><specie inp_file_name="ZrN"><identification><InChIKey>ZVWKZXLXHLZXLS-UHFFFAOYSA-N</InChIKey><canonical_smiles>N#[Zr]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>azanylidynezirconium</IUPAC_name></identification><comment>Chase,1998 p1620.</comment><reference>j 6/63</reference><elements><element Zr="1" /><element N="1" /></elements><condensed>False</condensed><molecular_weight>0.1052307</molecular_weight><hf298.15>713372.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>2.259109156e+04</a1><a2>-1.802590198e+02</a2><a3>3.130058377e+00</a3><a4>5.427709280e-03</a4><a5>-8.264614840e-06</a5><a6>5.958438220e-09</a6><a7>-1.670274535e-12</a7><b1>8.578881490e+04</b1><b2>8.470724780e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-7.255790890e+04</a1><a2>-8.126796600e+01</a2><a3>4.559924400e+00</a3><a4>1.291161650e-05</a4><a5>5.203830770e-09</a5><a6>-5.927436670e-13</a6><a7>2.731548854e-17</a7><b1>8.468648390e+04</b1><b2>1.493633264e+00</b2></T_range></specie><specie inp_file_name="ZrO"><identification><InChIKey>GEIAQOFPUVMAGM-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[Zr]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>oxozirconium</IUPAC_name></identification><comment>Gurvich,1982 pt1 p118 pt2 p118.</comment><reference>tpis82</reference><elements><element Zr="1" /><element O="1" /></elements><condensed>False</condensed><molecular_weight>0.1072234</molecular_weight><hf298.15>83922.708</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-5.091761400e+05</a1><a2>8.652770090e+03</a2><a3>-5.294740150e+01</a3><a4>1.728961761e-01</a4><a5>-2.457230895e-04</a5><a6>1.672135156e-07</a6><a7>-4.423012380e-11</a7><b1>-3.095129818e+04</b1><b2>3.132576719e+02</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>4.648098310e+05</a1><a2>3.442314470e+02</a2><a3>4.815779180e+00</a3><a4>-4.660633140e-04</a4><a5>2.140489079e-07</a5><a6>-2.054364483e-11</a6><a7>4.084667760e-16</a7><b1>7.317340700e+03</b1><b2>1.502933548e+00</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>1.343456923e+08</a1><a2>-7.851088360e+04</a2><a3>1.981614195e+01</a3><a4>-8.027211020e-04</a4><a5>2.522081797e-09</a5><a6>7.959625600e-13</a6><a7>-1.684162816e-17</a7><b1>6.406670590e+05</b1><b2>-1.358472283e+02</b2></T_range></specie><specie inp_file_name="ZrO+"><identification><InChIKey>GEIAQOFPUVMAGM-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[Zr]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>oxozirconium</IUPAC_name></identification><comment>Gurvich,1982 pt1 p122 pt2 p120.</comment><reference>tpis82</reference><elements><element Zr="1" /><element O="1" /><element E="-1" /></elements><condensed>False</condensed><molecular_weight>0.1072228514</molecular_weight><hf298.15>720614.114</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>1.032911549e+04</a1><a2>7.304661220e+01</a2><a3>2.606345299e+00</a3><a4>5.099300290e-03</a4><a5>-6.250338760e-06</a5><a6>3.797460020e-09</a6><a7>-9.198416900e-13</a7><b1>8.533233780e+04</b1><b2>1.267311019e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>-4.937166560e+05</a1><a2>6.699900760e+02</a2><a3>4.575353470e+00</a3><a4>-6.923237900e-04</a4><a5>4.280600940e-07</a5><a6>-7.547660220e-11</a6><a7>4.414279860e-15</a7><b1>8.018880660e+04</b1><b2>2.928943704e+00</b2></T_range><T_range Thigh="20000.0" Tlow="6000.0"><a1>4.389941590e+07</a1><a2>-2.084044161e+04</a2><a3>8.167126240e+00</a3><a4>-5.668596640e-05</a4><a5>-8.861355220e-09</a5><a6>4.773106180e-13</a6><a7>-7.435660480e-18</a7><b1>2.554517908e+05</b1><b2>-3.127152387e+01</b2></T_range></specie><specie inp_file_name="ZrO2"><identification><InChIKey>MCMNRKCIXSYSNV-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[Zr]=O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dioxozirconium</IUPAC_name></identification><comment>Gurvich,1982 pt1 p125. Chase,1998 p1772 12/65.</comment><reference>g10/99</reference><elements><element Zr="1" /><element O="2" /></elements><condensed>False</condensed><molecular_weight>0.12322280000000001</molecular_weight><hf298.15>-317042.737</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>3.637649000e+04</a1><a2>-2.620658297e+02</a2><a3>3.692866870e+00</a3><a4>1.214524156e-02</a4><a5>-1.822445342e-05</a5><a6>1.299215204e-08</a6><a7>-3.615900110e-12</a7><b1>-3.801990880e+04</b1><b2>8.290857600e+00</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>2.854363887e+06</a1><a2>-8.738589890e+03</a2><a3>1.621315114e+01</a3><a4>-4.417922830e-03</a4><a5>8.959096920e-07</a5><a6>-4.054667110e-11</a6><a7>-2.147732083e-15</a7><b1>1.527510023e+04</b1><b2>-7.481995490e+01</b2></T_range></specie><specie inp_file_name="Ag(cr)"><identification><InChIKey>BQCADISMDOOEFD-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Ag]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>silver</IUPAC_name></identification><comment>Cubic. Ref-Elm. Cox,1989 p228.</comment><reference>coda89</reference><elements><element Ag="1" /></elements><condensed>True</condensed><molecular_weight>0.1078682</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="1235.08" Tlow="200.0"><a1>-7.099236470e+04</a1><a2>7.254788020e+02</a2><a3>1.066518380e-01</a3><a4>5.529541550e-03</a4><a5>-4.425590850e-06</a5><a6>2.091668120e-09</a6><a7>-3.888924460e-13</a7><b1>-4.614014260e+03</b1><b2>5.074216040e+00</b2></T_range></specie><specie inp_file_name="Ag(L)"><identification><InChIKey>BQCADISMDOOEFD-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Ag]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>silver</IUPAC_name></identification><comment>Liquid. Ref-Elm. Cox,1989 p228.</comment><reference>coda89</reference><elements><element Ag="1" /></elements><condensed>True</condensed><molecular_weight>0.1078682</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="6000.0" Tlow="1235.08"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>4.017073770e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-4.672269970e+02</b1><b2>-1.771527070e+01</b2></T_range></specie><specie inp_file_name="Al(cr)"><identification><InChIKey>XAGFODPZIPBFFR-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Al]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>aluminum</IUPAC_name></identification><comment>Cubic. Ref-Elm. Cox,1989 p217.</comment><reference>coda89</reference><elements><element Al="1" /></elements><condensed>True</condensed><molecular_weight>0.026981538</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="933.61" Tlow="200.0"><a1>-6.251811430e+04</a1><a2>6.343934350e+02</a2><a3>-7.131883820e-01</a3><a4>1.088725280e-02</a4><a5>-1.458741820e-05</a5><a6>9.961160880e-09</a6><a7>-1.774928010e-12</a7><b1>-3.985439320e+03</b1><b2>6.561100200e+00</b2></T_range></specie><specie inp_file_name="Al(L)"><identification><InChIKey>XAGFODPZIPBFFR-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Al]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>aluminum</IUPAC_name></identification><comment>Liquid. Ref-Elm. Cox,1989 p217.</comment><reference>coda89</reference><elements><element Al="1" /></elements><condensed>True</condensed><molecular_weight>0.026981538</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="6000.0" Tlow="933.61"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>3.818625510e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-9.576323160e+01</b1><b2>-1.752553420e+01</b2></T_range></specie><specie inp_file_name="AlBr3(cr)"><identification><InChIKey>PQLAYKMGZDUDLQ-UHFFFAOYSA-K</InChIKey><canonical_smiles>[Al](Br)(Br)Br</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>tribromoalumane</IUPAC_name></identification><comment>Monoclinic. Gurvich,1996a pt1 p187 pt2 p150.</comment><reference>tpis96</reference><elements><element Al="1" /><element Br="3" /></elements><condensed>True</condensed><molecular_weight>0.266693538</molecular_weight><hf298.15>-511500.000</hf298.15><T_range Thigh="371.16" Tlow="200.0"><a1>-1.907292099e+05</a1><a2>0.000000000e+00</a2><a3>2.665662652e+01</a3><a4>-8.326099820e-02</a4><a5>1.395828123e-04</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-6.763881140e+04</b1><b2>-1.126522667e+02</b2></T_range></specie><specie inp_file_name="AlBr3(L)"><identification><InChIKey>PQLAYKMGZDUDLQ-UHFFFAOYSA-K</InChIKey><canonical_smiles>[Al](Br)(Br)Br</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>tribromoalumane</IUPAC_name></identification><comment>Liquid. Gurvich,1996a pt1 p187 pt2 p150.</comment><reference>tpis96</reference><elements><element Al="1" /><element Br="3" /></elements><condensed>True</condensed><molecular_weight>0.266693538</molecular_weight><hf298.15>-511500.000</hf298.15><T_range Thigh="6000.0" Tlow="371.16"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.503395871e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-6.481402080e+04</b1><b2>-6.083617689e+01</b2></T_range></specie><specie inp_file_name="AlCl3(cr)"><identification><InChIKey>VSCWAEJMTAWNJL-UHFFFAOYSA-K</InChIKey><canonical_smiles>[Al](Cl)(Cl)Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>trichloroalumane</IUPAC_name></identification><comment>Monoclinic. Gurvich,1996a pt1 p172 pt2 p133.</comment><reference>tpis96</reference><elements><element Al="1" /><element Cl="3" /></elements><condensed>True</condensed><molecular_weight>0.133340538</molecular_weight><hf298.15>-705100.000</hf298.15><T_range Thigh="465.7" Tlow="200.0"><a1>-2.605551108e+05</a1><a2>2.535762396e+03</a2><a3>-1.248379067e+00</a3><a4>2.465425813e-02</a4><a5>-8.048550150e-06</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.007777032e+05</b1><b2>2.030375677e+01</b2></T_range></specie><specie inp_file_name="AlCl3(L)"><identification><InChIKey>VSCWAEJMTAWNJL-UHFFFAOYSA-K</InChIKey><canonical_smiles>[Al](Cl)(Cl)Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>trichloroalumane</IUPAC_name></identification><comment>Liquid. Gurvich,1996a pt1 p172 pt2 p133.</comment><reference>tpis96</reference><elements><element Al="1" /><element Cl="3" /></elements><condensed>True</condensed><molecular_weight>0.133340538</molecular_weight><hf298.15>-705100.000</hf298.15><T_range Thigh="6000.0" Tlow="465.7"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.509409454e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-8.559022460e+04</b1><b2>-6.519014639e+01</b2></T_range></specie><specie inp_file_name="AlF3(II)"><identification><InChIKey>KLZUFWVZNOTSEM-UHFFFAOYSA-K</InChIKey><canonical_smiles>F[Al](F)F</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>trifluoroalumane</IUPAC_name></identification><comment>Hexagonal. Gurvich,1996a pt1 p156 pt2 p119.</comment><reference>tpis96</reference><elements><element Al="1" /><element F="3" /></elements><condensed>True</condensed><molecular_weight>0.0839767476</molecular_weight><hf298.15>-1510400.000</hf298.15><T_range Thigh="298.15" Tlow="100.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>-2.444621150e+00</a3><a4>6.248607440e-02</a4><a5>-8.043962500e-05</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.829961207e+05</b1><b2>6.871585170e+00</b2></T_range><T_range Thigh="728.0" Tlow="298.15"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>-3.158574588e+00</a3><a4>7.101368571e-02</a4><a5>-1.246540085e-04</a5><a6>7.930377136e-08</a6><a7>0.000000000e+00</a7><b1>-1.829283321e+05</b1><b2>9.661469435e+00</b2></T_range></specie><specie inp_file_name="AlF3(I)"><identification><InChIKey>KLZUFWVZNOTSEM-UHFFFAOYSA-K</InChIKey><canonical_smiles>F[Al](F)F</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>trifluoroalumane</IUPAC_name></identification><comment>Cubic. Gurvich,1996a pt1 p156 pt2 p119.</comment><reference>tpis96</reference><elements><element Al="1" /><element F="3" /></elements><condensed>True</condensed><molecular_weight>0.0839767476</molecular_weight><hf298.15>-1510400.000</hf298.15><T_range Thigh="2100.0" Tlow="728.0"><a1>-1.060675855e+05</a1><a2>0.000000000e+00</a2><a3>1.114052422e+01</a3><a4>1.092668119e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.853502219e+05</b1><b2>-5.651122021e+01</b2></T_range></specie><specie inp_file_name="AlH3(a)"><identification><InChIKey>TZHVDRMMYKWKGZ-UHFFFAOYSA-N</InChIKey><canonical_smiles>[H-].[H-].[H-].[Al+3]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>aluminum;hydride</IUPAC_name></identification><comment>Alpha,hexagonal. Gurvich,1996a pt1 p144 pt2 p108.</comment><reference>tpis96</reference><elements><element Al="1" /><element H="3" /></elements><condensed>True</condensed><molecular_weight>0.030005358000000003</molecular_weight><hf298.15>-11400.000</hf298.15><T_range Thigh="500.0" Tlow="200.0"><a1>5.744612990e+05</a1><a2>-7.649579650e+03</a2><a3>3.481355430e+01</a3><a4>-4.495737990e-02</a4><a5>2.948551342e-05</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>3.549793150e+04</b1><b2>-2.050727589e+02</b2></T_range></specie><specie inp_file_name="AlI3(cr)"><identification><InChIKey>CECABOMBVQNBEC-UHFFFAOYSA-K</InChIKey><canonical_smiles>[Al](I)(I)I</canonical_smiles><cas_number>7784-23-8</cas_number><IUPAC_name>triiodoalumane</IUPAC_name></identification><comment>Hexagonal. Gurvich,1996a pt1 p193 pt2 p155.</comment><reference>tpis96</reference><elements><element Al="1" /><element I="3" /></elements><condensed>True</condensed><molecular_weight>0.407694948</molecular_weight><hf298.15>-302900.000</hf298.15><T_range Thigh="461.47" Tlow="298.15"><a1>-3.486280460e+03</a1><a2>0.000000000e+00</a2><a3>8.644374370e+00</a3><a4>1.088065032e-02</a4><a5>5.040262220e-07</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-3.950736400e+04</b1><b2>-2.968661932e+01</b2></T_range></specie><specie inp_file_name="AlI3(L)"><identification><InChIKey>CECABOMBVQNBEC-UHFFFAOYSA-K</InChIKey><canonical_smiles>[Al](I)(I)I</canonical_smiles><cas_number>7784-23-8</cas_number><IUPAC_name>triiodoalumane</IUPAC_name></identification><comment>Liquid. Gurvich,1996a pt1 p193 pt2 p155.</comment><reference>tpis96</reference><elements><element Al="1" /><element I="3" /></elements><condensed>True</condensed><molecular_weight>0.407694948</molecular_weight><hf298.15>-302900.000</hf298.15><T_range Thigh="6000.0" Tlow="461.47"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.455287203e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-3.913903150e+04</b1><b2>-5.670488781e+01</b2></T_range></specie><specie inp_file_name="AlN(cr)"><identification><InChIKey>PIGFYZPCRLYGLF-UHFFFAOYSA-N</InChIKey><canonical_smiles>N#[Al]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>azanylidynealumane</IUPAC_name></identification><comment>Hexagonal. Gurvich,1996a pt1 p202 pt2 p163.</comment><reference>tpis96</reference><elements><element Al="1" /><element N="1" /></elements><condensed>True</condensed><molecular_weight>0.040988238</molecular_weight><hf298.15>-319000.000</hf298.15><T_range Thigh="300.0" Tlow="100.0"><a1>3.654741530e+03</a1><a2>0.000000000e+00</a2><a3>-2.148600451e+00</a3><a4>2.744441314e-02</a4><a5>-2.763366825e-05</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-3.868948290e+04</b1><b2>7.733969220e+00</b2></T_range><T_range Thigh="1800.0" Tlow="300.0"><a1>-1.801549340e+05</a1><a2>0.000000000e+00</a2><a3>5.525280504e+00</a3><a4>4.025492783e-04</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-4.063616530e+04</b1><b2>-3.018829926e+01</b2></T_range></specie><specie inp_file_name="AlN(L)"><identification><InChIKey>PIGFYZPCRLYGLF-UHFFFAOYSA-N</InChIKey><canonical_smiles>N#[Al]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>azanylidynealumane</IUPAC_name></identification><comment>Liquid. Gurvich,1996a pt1 p202 pt2 p163.</comment><reference>tpis96</reference><elements><element Al="1" /><element N="1" /></elements><condensed>True</condensed><molecular_weight>0.040988238</molecular_weight><hf298.15>-319000.000</hf298.15><T_range Thigh="2700.0" Tlow="1800.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>4.491184688e+00</a3><a4>9.460569534e-04</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-3.955518910e+04</b1><b2>-2.338770283e+01</b2></T_range><T_range Thigh="6000.0" Tlow="2700.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>8.058201866e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-3.755928440e+04</b1><b2>-4.598731266e+01</b2></T_range></specie><specie inp_file_name="Al(OH)3(a)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gibbsite. Gurvich,1996a pt1 p150 pt2 p114.</comment><reference>tpis96</reference><elements><element Al="1" /><element O="3" /><element H="3" /></elements><condensed>True</condensed><molecular_weight>0.078003558</molecular_weight><hf298.15>-1293500.000</hf298.15><T_range Thigh="500.0" Tlow="100.0"><a1>-2.376748819e+04</a1><a2>9.289791210e+02</a2><a3>-1.532337335e+01</a3><a4>1.307578268e-01</a4><a5>-2.205157141e-04</a5><a6>1.567014467e-07</a6><a7>0.000000000e+00</a7><b1>-1.605485750e+05</b1><b2>6.795129010e+01</b2></T_range></specie><specie inp_file_name="Al2O3(a)"><identification><InChIKey>TWNQGVIAIRXVLR-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[Al]O[Al]=O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>oxo(oxoalumanyloxy)alumane</IUPAC_name></identification><comment>Alpha,corundum. Gurvich,1996a pt1 p134 pt2 p103.</comment><reference>tpis96</reference><elements><element Al="2" /><element O="3" /></elements><condensed>True</condensed><molecular_weight>0.101961276</molecular_weight><hf298.15>-1675700.000</hf298.15><T_range Thigh="500.0" Tlow="200.0"><a1>-5.391549970e+06</a1><a2>1.036676983e+05</a2><a3>-8.173229150e+02</a3><a4>3.388258720e+00</a4><a5>-7.512400360e-03</a5><a6>8.659248820e-06</a6><a7>-4.066085670e-09</a7><b1>-6.660134650e+05</b1><b2>4.235502230e+03</b2></T_range><T_range Thigh="1200.0" Tlow="500.0"><a1>-6.042087868e+05</a1><a2>0.000000000e+00</a2><a3>1.475480816e+01</a3><a4>8.272285438e-04</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-2.079235447e+05</b1><b2>-8.136029480e+01</b2></T_range><T_range Thigh="2327.0" Tlow="1200.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.293774378e+01</a3><a4>1.992781294e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-2.060787581e+05</b1><b2>-6.966603728e+01</b2></T_range></specie><specie inp_file_name="Al2O3(L)"><identification><InChIKey>TWNQGVIAIRXVLR-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[Al]O[Al]=O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>oxo(oxoalumanyloxy)alumane</IUPAC_name></identification><comment>Liquid. Gurvich,1996a pt1 p134 pt2 p103.</comment><reference>tpis96</reference><elements><element Al="2" /><element O="3" /></elements><condensed>True</condensed><molecular_weight>0.101961276</molecular_weight><hf298.15>-1675700.000</hf298.15><T_range Thigh="6000.0" Tlow="2327.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.959225499e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-2.027701571e+05</b1><b2>-1.108590952e+02</b2></T_range></specie><specie inp_file_name="Al2S3(a)"><identification><InChIKey>COOGPNLGKIHLSK-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Al+3].[Al+3].[S-2].[S-2].[S-2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dialuminum;trisulfide</IUPAC_name></identification><comment>Hexagonal alpha. Gurvich,1996a pt1 p201 pt2 p162.</comment><reference>tpis96</reference><elements><element Al="2" /><element S="3" /></elements><condensed>True</condensed><molecular_weight>0.150158076</molecular_weight><hf298.15>-648500.000</hf298.15><T_range Thigh="298.15" Tlow="100.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>-1.347810098e+00</a3><a4>8.478152110e-02</a4><a5>-1.270516814e-04</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-8.024014680e+04</b1><b2>2.103644584e+00</b2></T_range><T_range Thigh="1273.0" Tlow="298.15"><a1>-1.943109095e+05</a1><a2>0.000000000e+00</a2><a3>1.417618116e+01</a3><a4>2.164890054e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-8.297075040e+04</b1><b2>-6.845362098e+01</b2></T_range></specie><specie inp_file_name="Al2S3(b)"><identification><InChIKey>COOGPNLGKIHLSK-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Al+3].[Al+3].[S-2].[S-2].[S-2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dialuminum;trisulfide</IUPAC_name></identification><comment>Rhombohedral gamma. Gurvich,1996a pt1 p201 pt2 p162.</comment><reference>tpis96</reference><elements><element Al="2" /><element S="3" /></elements><condensed>True</condensed><molecular_weight>0.150158076</molecular_weight><hf298.15>-648500.000</hf298.15><T_range Thigh="1373.0" Tlow="1273.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.683803375e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-8.445251510e+04</b1><b2>-8.466769750e+01</b2></T_range></specie><specie inp_file_name="Al2S3(L)"><identification><InChIKey>COOGPNLGKIHLSK-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Al+3].[Al+3].[S-2].[S-2].[S-2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dialuminum;trisulfide</IUPAC_name></identification><comment>Liquid. Gurvich,1996a pt1 p201 pt2 p162.</comment><reference>tpis96</reference><elements><element Al="2" /><element S="3" /></elements><condensed>True</condensed><molecular_weight>0.150158076</molecular_weight><hf298.15>-648500.000</hf298.15><T_range Thigh="6000.0" Tlow="1373.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.924346714e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-8.114023330e+04</b1><b2>-9.722848599e+01</b2></T_range></specie><specie inp_file_name="Al2SiO5(an)"><identification><InChIKey>HNPSIPDUKPIQMN-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[Al]O[Al]=O.O=[Si]=O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dioxosilane;oxo(oxoalumanyloxy)alumane</IUPAC_name></identification><comment>Andalusite. Chase,1998 p160.</comment><reference>j 9/67</reference><elements><element Al="2" /><element Si="1" /><element O="5" /></elements><condensed>True</condensed><molecular_weight>0.16204557600000002</molecular_weight><hf298.15>-2592072.000</hf298.15><T_range Thigh="600.0" Tlow="200.0"><a1>-5.435020350e+05</a1><a2>8.364904470e+03</a2><a3>-5.479541870e+01</a3><a4>2.421451459e-01</a4><a5>-3.247828060e-04</a5><a6>1.619746222e-07</a6><a7>0.000000000e+00</a7><b1>-3.531115760e+05</b1><b2>2.892220103e+02</b2></T_range><T_range Thigh="1500.0" Tlow="600.0"><a1>9.635670330e+06</a1><a2>-6.505315100e+04</a2><a3>1.886717981e+02</a3><a4>-2.227599181e-01</a4><a5>1.677460173e-04</a5><a6>-6.532301110e-08</a6><a7>1.041420443e-11</a7><b1>4.284683500e+04</b1><b2>-1.170130476e+03</b2></T_range><T_range Thigh="3000.0" Tlow="1500.0"><a1>5.600590290e+07</a1><a2>-1.591905491e+05</a2><a3>2.058003747e+02</a3><a4>-1.103017260e-01</a4><a5>3.860284650e-05</a5><a6>-6.943079960e-09</a6><a7>5.126291370e-13</a7><b1>6.964365160e+05</b1><b2>-1.424396263e+03</b2></T_range></specie><specie inp_file_name="Al4C3(cr)"><identification><InChIKey>QOEDGTLKKDFXSA-UHFFFAOYSA-N</InChIKey><canonical_smiles>[C-]#[Al].[C-]#[Al].C(=[Al])=[Al]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>$l^{2}-alumanylidenemethylidenealuminum;methanidylidynealumane</IUPAC_name></identification><comment>Hexagonal. Gurvich,1996a pt1 p207 pt2 p168.</comment><reference>tpis96</reference><elements><element Al="4" /><element C="3" /></elements><condensed>True</condensed><molecular_weight>0.14395825199999998</molecular_weight><hf298.15>-206900.000</hf298.15><T_range Thigh="300.0" Tlow="100.0"><a1>4.384127580e+03</a1><a2>0.000000000e+00</a2><a3>-5.803779650e+00</a3><a4>1.009595640e-01</a4><a5>-1.158851541e-04</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-2.660263745e+04</b1><b2>1.884004031e+01</b2></T_range><T_range Thigh="2500.0" Tlow="300.0"><a1>-4.483607573e+05</a1><a2>0.000000000e+00</a2><a3>1.788920814e+01</a3><a4>4.024290066e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-3.190056250e+04</b1><b2>-9.494910735e+01</b2></T_range></specie><specie inp_file_name="B(b)"><identification><InChIKey>ZOXJGFHDIHLPTG-UHFFFAOYSA-N</InChIKey><canonical_smiles>[B]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>boron</IUPAC_name></identification><comment>Beta. Ref-Elm. Chase,1998 p177-180. McBride,1993a.</comment><reference>j 6/83</reference><elements><element B="1" /></elements><condensed>True</condensed><molecular_weight>0.010811</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="600.0" Tlow="200.0"><a1>2.598259342e+05</a1><a2>-4.770773050e+03</a2><a3>3.464124480e+01</a3><a4>-1.287342209e-01</a4><a5>2.897864235e-04</a5><a6>-3.307265950e-07</a6><a7>1.500151011e-10</a7><b1>2.146946846e+04</b1><b2>-1.830824723e+02</b2></T_range><T_range Thigh="2350.0" Tlow="600.0"><a1>-8.697700220e+02</a1><a2>-8.050405960e+02</a2><a3>4.079712880e+00</a3><a4>-6.423381350e-04</a4><a5>4.846017800e-07</a5><a6>-1.252780673e-10</a6><a7>1.335923595e-14</a7><b1>3.397919930e+03</b1><b2>-2.505906587e+01</b2></T_range></specie><specie inp_file_name="B(L)"><identification><InChIKey>ZOXJGFHDIHLPTG-UHFFFAOYSA-N</InChIKey><canonical_smiles>[B]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>boron</IUPAC_name></identification><comment>Liquid. Ref-Elm. Chase,1998 p177-180. McBride,1993a.</comment><reference>j 6/83</reference><elements><element B="1" /></elements><condensed>True</condensed><molecular_weight>0.010811</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="6000.0" Tlow="2350.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>3.818625511e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>3.360603140e+03</b1><b2>-2.073167308e+01</b2></T_range></specie><specie inp_file_name="BN(cr)"><identification><InChIKey>PZNSFCLAULLKQX-UHFFFAOYSA-N</InChIKey><canonical_smiles>B#N</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>azanylidyneborane</IUPAC_name></identification><comment>Hexagonal. Gurvich,1996a pt1 p103 pt2 p82.</comment><reference>tpis96</reference><elements><element B="1" /><element N="1" /></elements><condensed>True</condensed><molecular_weight>0.024817699999999998</molecular_weight><hf298.15>-251000.000</hf298.15><T_range Thigh="1200.0" Tlow="200.0"><a1>4.927312430e+05</a1><a2>-6.086406850e+03</a2><a3>2.678226753e+01</a3><a4>-4.529686640e-02</a4><a5>5.305526030e-05</a5><a6>-3.041114432e-08</a6><a7>6.795343860e-12</a7><b1>-2.413474891e+02</b1><b2>-1.570534002e+02</b2></T_range><T_range Thigh="3240.0" Tlow="1200.0"><a1>-8.394039490e+05</a1><a2>0.000000000e+00</a2><a3>6.231256640e+00</a3><a4>-1.258688680e-05</a4><a5>2.018144787e-09</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-3.427269230e+04</b1><b2>-3.687260910e+01</b2></T_range></specie><specie inp_file_name="BN(L)"><identification><InChIKey>PZNSFCLAULLKQX-UHFFFAOYSA-N</InChIKey><canonical_smiles>B#N</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>azanylidyneborane</IUPAC_name></identification><comment>Liquid. Gurvich,1996a pt1 p103 pt2 p82.</comment><reference>tpis96</reference><elements><element B="1" /><element N="1" /></elements><condensed>True</condensed><molecular_weight>0.024817699999999998</molecular_weight><hf298.15>-251000.000</hf298.15><T_range Thigh="6000.0" Tlow="3240.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>8.058201866e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-3.023409980e+04</b1><b2>-4.862382389e+01</b2></T_range></specie><specie inp_file_name="B2O3(cr)"><identification><InChIKey>JKWMSGQKBLHBQQ-UHFFFAOYSA-N</InChIKey><canonical_smiles>B(=O)OB=O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>oxo(oxoboranyloxy)borane</IUPAC_name></identification><comment>Hexagonal. Gurvich,1996a pt1 p21 pt2 p16.</comment><reference>tpis96</reference><elements><element B="2" /><element O="3" /></elements><condensed>True</condensed><molecular_weight>0.0696202</molecular_weight><hf298.15>-1273500.000</hf298.15><T_range Thigh="723.0" Tlow="100.0"><a1>-5.595297380e+04</a1><a2>1.311214190e+03</a2><a3>-1.178535942e+01</a3><a4>7.702795250e-02</a4><a5>-9.740126500e-05</a5><a6>4.692119720e-08</a6><a7>1.804813810e-12</a7><b1>-1.599672923e+05</b1><b2>5.866759160e+01</b2></T_range></specie><specie inp_file_name="B2O3(L)"><identification><InChIKey>JKWMSGQKBLHBQQ-UHFFFAOYSA-N</InChIKey><canonical_smiles>B(=O)OB=O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>oxo(oxoboranyloxy)borane</IUPAC_name></identification><comment>Liquid. Gurvich,1996a pt1 p21 pt2 p16.</comment><reference>tpis96</reference><elements><element B="2" /><element O="3" /></elements><condensed>True</condensed><molecular_weight>0.0696202</molecular_weight><hf298.15>-1273500.000</hf298.15><T_range Thigh="6000.0" Tlow="723.0"><a1>3.774124994e+05</a1><a2>0.000000000e+00</a2><a3>1.528015481e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.562115789e+05</b1><b2>-8.056094941e+01</b2></T_range></specie><specie inp_file_name="B2S3(cr)"><identification><InChIKey>DOETWHQWULDEQU-UHFFFAOYSA-N</InChIKey><canonical_smiles>B(=S)B=S=S</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>sulfanylidene-(sulfanylidene-$l^{4}-sulfanylidene)boranylborane</IUPAC_name></identification><comment>Monoclinic. Gurvich,1996a pt1 p101 pt2 p80.</comment><reference>tpis96</reference><elements><element B="2" /><element S="3" /></elements><condensed>True</condensed><molecular_weight>0.11781699999999999</molecular_weight><hf298.15>-243000.000</hf298.15><T_range Thigh="840.0" Tlow="298.15"><a1>-9.430501617e+04</a1><a2>0.000000000e+00</a2><a3>1.190088171e+01</a3><a4>8.711277033e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-3.347775180e+04</b1><b2>-5.890696350e+01</b2></T_range></specie><specie inp_file_name="B2S3(L)"><identification><InChIKey>DOETWHQWULDEQU-UHFFFAOYSA-N</InChIKey><canonical_smiles>B(=S)B=S=S</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>sulfanylidene-(sulfanylidene-$l^{4}-sulfanylidene)boranylborane</IUPAC_name></identification><comment>Liquid. Gurvich,1996a pt1 p101 pt2 p80.</comment><reference>tpis96</reference><elements><element B="2" /><element S="3" /></elements><condensed>True</condensed><molecular_weight>0.11781699999999999</molecular_weight><hf298.15>-243000.000</hf298.15><T_range Thigh="6000.0" Tlow="840.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.755966377e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-2.921234633e+04</b1><b2>-8.268126136e+01</b2></T_range></specie><specie inp_file_name="B3O3H3(cr)"><identification><InChIKey>BRTALTYTFFNPAC-UHFFFAOYSA-N</InChIKey><canonical_smiles>B1OBOBO1</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>1,3,5,2,4,6-trioxatriborinane</IUPAC_name></identification><comment>Chase,1998 p287.</comment><reference>j 3/65</reference><elements><element B="3" /><element H="3" /><element O="3" /></elements><condensed>True</condensed><molecular_weight>0.08345502</molecular_weight><hf298.15>-1262313.000</hf298.15><T_range Thigh="700.0" Tlow="298.15"><a1>-5.328545240e+05</a1><a2>3.767360370e+03</a2><a3>6.890276350e-01</a3><a4>-4.217091030e-03</a4><a5>8.303566290e-05</a5><a6>-6.146021890e-08</a6><a7>0.000000000e+00</a7><b1>-1.757027581e+05</b1><b2>2.395113516e+01</b2></T_range><T_range Thigh="1400.0" Tlow="700.0"><a1>5.084004120e+07</a1><a2>-3.177180280e+05</a2><a3>8.113753320e+02</a3><a4>-1.045412717e+00</a4><a5>7.976442970e-04</a5><a6>-3.265400500e-07</a6><a7>5.554759650e-11</a7><b1>1.623716865e+06</b1><b2>-5.113032450e+03</b2></T_range><T_range Thigh="2000.0" Tlow="1400.0"><a1>-3.234845810e+08</a1><a2>1.232060747e+06</a2><a3>-1.920881017e+03</a3><a4>1.628142178e+00</a4><a5>-7.579315580e-04</a5><a6>1.870131216e-07</a6><a7>-1.915685535e-11</a7><b1>-7.655560210e+06</b1><b2>1.307505171e+04</b2></T_range></specie><specie inp_file_name="B4C(cr)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Hexagonal. Gurvich,1996a pt1 p111 pt2 p89</comment><reference>tpis96</reference><elements><element B="4" /><element C="1" /></elements><condensed>True</condensed><molecular_weight>0.0552547</molecular_weight><hf298.15>-62000.000</hf298.15><T_range Thigh="500.0" Tlow="200.0"><a1>-3.582115390e+07</a1><a2>6.748884130e+05</a2><a3>-5.160630080e+03</a3><a4>2.049973510e+01</a4><a5>-4.453648770e-02</a5><a6>5.049831300e-05</a6><a7>-2.340979136e-08</a7><b1>-3.040618105e+06</b1><b2>2.693617477e+04</b2></T_range><T_range Thigh="2743.0" Tlow="500.0"><a1>-5.772904970e+05</a1><a2>0.000000000e+00</a2><a3>1.274373364e+01</a3><a4>5.718209610e-05</a4><a5>1.287030822e-06</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.320621763e+04</b1><b2>-7.266962500e+01</b2></T_range></specie><specie inp_file_name="B4C(L)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Liquid. Chase,1998 pp556-8.</comment><reference>j 6/83</reference><elements><element B="4" /><element C="1" /></elements><condensed>True</condensed><molecular_weight>0.0552547</molecular_weight><hf298.15>-62000.000</hf298.15><T_range Thigh="6000.0" Tlow="2743.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.635454164e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.250553215e+03</b1><b2>-9.163227046e+01</b2></T_range></specie><specie inp_file_name="Ba(cr)"><identification><InChIKey>DSAJWYNOEDNPEQ-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Ba]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>barium</IUPAC_name></identification><comment>Crystal. Ref-Elm. Alcock,1993.</comment><reference>srd 93</reference><elements><element Ba="1" /></elements><condensed>True</condensed><molecular_weight>0.137327</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="298.15" Tlow="80.0"><a1>-1.121413048e+03</a1><a2>0.000000000e+00</a2><a3>2.794031158e+00</a3><a4>3.089779193e-03</a4><a5>-8.812305235e-06</a5><a6>1.741533776e-08</a6><a7>0.000000000e+00</a7><b1>-9.306838000e+02</b1><b2>-9.109787138e+00</b2></T_range><T_range Thigh="1000.0" Tlow="298.15"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.773344430e+00</a3><a4>2.037522355e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-9.174338100e+02</b1><b2>-8.909706262e+00</b2></T_range></specie><specie inp_file_name="Ba(L)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Liquid. Ref-Elm. Alcock,1993.</comment><reference>srd 93</reference><elements><element Ba="1" /></elements><condensed>True</condensed><molecular_weight>0.137327</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="6000.0" Tlow="1000.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>4.810866786e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-9.920623810e+02</b1><b2>-2.000275711e+01</b2></T_range></specie><specie inp_file_name="BaBr2(cr)"><identification><InChIKey>NKQIMNKPSDEDMO-UHFFFAOYSA-L</InChIKey><canonical_smiles>[Br-].[Br-].[Ba+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>barium(2+);dibromide</IUPAC_name></identification><comment>Rhombic. Gurvich,1996a pt1 p578 pt2 p438.</comment><reference>tpis96</reference><elements><element Ba="1" /><element Br="2" /></elements><condensed>True</condensed><molecular_weight>0.297135</molecular_weight><hf298.15>-752000.000</hf298.15><T_range Thigh="1130.0" Tlow="298.0"><a1>-7.817658527e+03</a1><a2>0.000000000e+00</a2><a3>8.433088661e+00</a3><a4>2.644894287e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-9.310239840e+04</b1><b2>-3.084013513e+01</b2></T_range></specie><specie inp_file_name="BaBr2(L)"><identification><InChIKey>NKQIMNKPSDEDMO-UHFFFAOYSA-L</InChIKey><canonical_smiles>[Br-].[Br-].[Ba+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>barium(2+);dibromide</IUPAC_name></identification><comment>Liquid. Gurvich,1996a pt1 p578 pt2 p438.</comment><reference>tpis96</reference><elements><element Ba="1" /><element Br="2" /></elements><condensed>True</condensed><molecular_weight>0.297135</molecular_weight><hf298.15>-752000.000</hf298.15><T_range Thigh="6000.0" Tlow="1130.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.262852531e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-9.227494300e+04</b1><b2>-5.391493900e+01</b2></T_range></specie><specie inp_file_name="BaCO3(a)"><identification><InChIKey>AYJRCSIUFZENHW-UHFFFAOYSA-L</InChIKey><canonical_smiles>C(=O)([O-])[O-].[Ba+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>barium(2+);carbonate</IUPAC_name></identification><comment>CrIII,rhombic. Gurvich,1996a pt1 p588 pt2 p446.</comment><reference>tpis96</reference><elements><element Ba="1" /><element C="1" /><element O="3" /></elements><condensed>True</condensed><molecular_weight>0.1973359</molecular_weight><hf298.15>-1214000.000</hf298.15><T_range Thigh="500.0" Tlow="200.0"><a1>-2.877181104e+07</a1><a2>5.413510470e+05</a2><a3>-4.125297560e+03</a3><a4>1.638620098e+01</a4><a5>-3.558188760e-02</a5><a6>4.031953330e-05</a6><a7>-1.867325900e-08</a7><b1>-2.581769925e+06</b1><b2>2.154826876e+04</b2></T_range><T_range Thigh="1083.0" Tlow="500.0"><a1>-4.578261377e+05</a1><a2>0.000000000e+00</a2><a3>1.897622349e+01</a3><a4>-1.614166078e-02</a4><a5>1.493894409e-05</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.526176829e+05</b1><b2>-9.306389650e+01</b2></T_range></specie><specie inp_file_name="BaCO3(b)"><identification><InChIKey>AYJRCSIUFZENHW-UHFFFAOYSA-L</InChIKey><canonical_smiles>C(=O)([O-])[O-].[Ba+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>barium(2+);carbonate</IUPAC_name></identification><comment>CrII,hexagonal. Gurvich,1996a pt1 p588 pt2 p446.</comment><reference>tpis96</reference><elements><element Ba="1" /><element C="1" /><element O="3" /></elements><condensed>True</condensed><molecular_weight>0.1973359</molecular_weight><hf298.15>-1214000.000</hf298.15><T_range Thigh="1233.0" Tlow="1083.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.900292380e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.534042929e+05</b1><b2>-9.996568172e+01</b2></T_range></specie><specie inp_file_name="BaCO3(c)"><identification><InChIKey>AYJRCSIUFZENHW-UHFFFAOYSA-L</InChIKey><canonical_smiles>C(=O)([O-])[O-].[Ba+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>barium(2+);carbonate</IUPAC_name></identification><comment>CrI,cubic. Gurvich,1996a pt1 p588 pt2 p446.</comment><reference>tpis96</reference><elements><element Ba="1" /><element C="1" /><element O="3" /></elements><condensed>True</condensed><molecular_weight>0.1973359</molecular_weight><hf298.15>-1214000.000</hf298.15><T_range Thigh="1828.0" Tlow="1233.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.924346714e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.533520950e+05</b1><b2>-1.013948007e+02</b2></T_range></specie><specie inp_file_name="BaCO3(L)"><identification><InChIKey>AYJRCSIUFZENHW-UHFFFAOYSA-L</InChIKey><canonical_smiles>C(=O)([O-])[O-].[Ba+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>barium(2+);carbonate</IUPAC_name></identification><comment>Liquid. Gurvich,1996a pt1 p588 pt2 p446.</comment><reference>tpis96</reference><elements><element Ba="1" /><element C="1" /><element O="3" /></elements><condensed>True</condensed><molecular_weight>0.1973359</molecular_weight><hf298.15>-1214000.000</hf298.15><T_range Thigh="6000.0" Tlow="1828.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.984482549e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.496405113e+05</b1><b2>-1.032798247e+02</b2></T_range></specie><specie inp_file_name="BaCl2(a)"><identification><InChIKey>WDIHJSXYQDMJHN-UHFFFAOYSA-L</InChIKey><canonical_smiles>[Cl-].[Cl-].[Ba+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>barium(2+);dichloride</IUPAC_name></identification><comment>CrII,rhombic. Gurvich,1996a pt1 p574 pt2 p435.</comment><reference>tpis96</reference><elements><element Ba="1" /><element Cl="2" /></elements><condensed>True</condensed><molecular_weight>0.208233</molecular_weight><hf298.15>-855200.000</hf298.15><T_range Thigh="500.0" Tlow="100.0"><a1>-7.376444120e+04</a1><a2>1.806760784e+03</a2><a3>-1.415837573e+01</a3><a4>1.391571933e-01</a4><a5>-4.179089240e-04</a5><a6>6.207438290e-07</a6><a7>-3.577305500e-10</a7><b1>-1.127273901e+05</b1><b2>7.349900590e+01</b2></T_range><T_range Thigh="1198.0" Tlow="500.0"><a1>7.096028509e+02</a1><a2>0.000000000e+00</a2><a3>8.343245723e+00</a3><a4>2.300676769e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.054434434e+05</b1><b2>-3.333989736e+01</b2></T_range></specie><specie inp_file_name="BaCl2(b)"><identification><InChIKey>WDIHJSXYQDMJHN-UHFFFAOYSA-L</InChIKey><canonical_smiles>[Cl-].[Cl-].[Ba+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>barium(2+);dichloride</IUPAC_name></identification><comment>CrI,cubic. Gurvich,1996a pt1 p574 pt2 p435.</comment><reference>tpis96</reference><elements><element Ba="1" /><element Cl="2" /></elements><condensed>True</condensed><molecular_weight>0.208233</molecular_weight><hf298.15>-855200.000</hf298.15><T_range Thigh="1234.0" Tlow="1198.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.575558872e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.105803253e+05</b1><b2>-8.137880037e+01</b2></T_range></specie><specie inp_file_name="BaCl2(L)"><identification><InChIKey>WDIHJSXYQDMJHN-UHFFFAOYSA-L</InChIKey><canonical_smiles>[Cl-].[Cl-].[Ba+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>barium(2+);dichloride</IUPAC_name></identification><comment>Liquid. Gurvich,1996a pt1 p574 pt2 p435.</comment><reference>tpis96</reference><elements><element Ba="1" /><element Cl="2" /></elements><condensed>True</condensed><molecular_weight>0.208233</molecular_weight><hf298.15>-855200.000</hf298.15><T_range Thigh="6000.0" Tlow="1234.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.310961199e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.054088841e+05</b1><b2>-6.099987667e+01</b2></T_range></specie><specie inp_file_name="BaF2(a)"><identification><InChIKey>OYLGJCQECKOTOL-UHFFFAOYSA-L</InChIKey><canonical_smiles>[F-].[F-].[Ba+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>barium(2+);difluoride</IUPAC_name></identification><comment>CrIII,cubic. Gurvich,1996a pt1 p567 pt2 p431.</comment><reference>tpis96</reference><elements><element Ba="1" /><element F="2" /></elements><condensed>True</condensed><molecular_weight>0.1753238064</molecular_weight><hf298.15>-1206000.000</hf298.15><T_range Thigh="500.0" Tlow="100.0"><a1>1.441693954e+05</a1><a2>-4.606283760e+03</a2><a3>5.412180390e+01</a3><a4>-2.221460987e-01</a4><a5>5.733095130e-04</a5><a6>-7.321844990e-07</a6><a7>3.715051400e-10</a7><b1>-1.283756240e+05</b1><b2>-2.649277473e+02</b2></T_range><T_range Thigh="1240.0" Tlow="500.0"><a1>-2.180525371e+04</a1><a2>0.000000000e+00</a2><a3>7.730461567e+00</a3><a4>3.587703906e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.475854552e+05</b1><b2>-3.364924914e+01</b2></T_range></specie><specie inp_file_name="BaF2(b)"><identification><InChIKey>OYLGJCQECKOTOL-UHFFFAOYSA-L</InChIKey><canonical_smiles>[F-].[F-].[Ba+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>barium(2+);difluoride</IUPAC_name></identification><comment>CrII. Gurvich,1996a pt1 p567 pt2 p431.</comment><reference>tpis96</reference><elements><element Ba="1" /><element F="2" /></elements><condensed>True</condensed><molecular_weight>0.1753238064</molecular_weight><hf298.15>-1206000.000</hf298.15><T_range Thigh="1480.0" Tlow="1240.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.515423038e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.533548254e+05</b1><b2>-8.153942783e+01</b2></T_range></specie><specie inp_file_name="BaF2(c)"><identification><InChIKey>OYLGJCQECKOTOL-UHFFFAOYSA-L</InChIKey><canonical_smiles>[F-].[F-].[Ba+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>barium(2+);difluoride</IUPAC_name></identification><comment>CrI. Gurvich,1996a pt1 p567 pt2 p431.</comment><reference>tpis96</reference><elements><element Ba="1" /><element F="2" /></elements><condensed>True</condensed><molecular_weight>0.1753238064</molecular_weight><hf298.15>-1206000.000</hf298.15><T_range Thigh="1641.0" Tlow="1480.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.551504538e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.535821388e+05</b1><b2>-8.396607945e+01</b2></T_range></specie><specie inp_file_name="BaF2(L)"><identification><InChIKey>OYLGJCQECKOTOL-UHFFFAOYSA-L</InChIKey><canonical_smiles>[F-].[F-].[Ba+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>barium(2+);difluoride</IUPAC_name></identification><comment>Liquid. Gurvich,1996a pt1 p567 pt2 p431.</comment><reference>tpis96</reference><elements><element Ba="1" /><element F="2" /></elements><condensed>True</condensed><molecular_weight>0.1753238064</molecular_weight><hf298.15>-1206000.000</hf298.15><T_range Thigh="6000.0" Tlow="1641.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.262852531e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.467045237e+05</b1><b2>-6.129240287e+01</b2></T_range></specie><specie inp_file_name="BaH2(a)"><identification><InChIKey>BPYQMQIZFKTCMA-UHFFFAOYSA-N</InChIKey><canonical_smiles>[H-].[H-].[Ba+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>barium(2+);hydride</IUPAC_name></identification><comment>CrII,rhombic Gurvich,1996a pt1 p556 pt2 p424.</comment><reference>tpis96</reference><elements><element Ba="1" /><element H="2" /></elements><condensed>True</condensed><molecular_weight>0.13934288</molecular_weight><hf298.15>-190000.000</hf298.15><T_range Thigh="871.0" Tlow="298.15"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>4.530874339e+00</a3><a4>3.359308005e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-2.435180761e+04</b1><b2>-1.923955725e+01</b2></T_range></specie><specie inp_file_name="BaH2(b)"><identification><InChIKey>BPYQMQIZFKTCMA-UHFFFAOYSA-N</InChIKey><canonical_smiles>[H-].[H-].[Ba+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>barium(2+);hydride</IUPAC_name></identification><comment>CrI,rhombic Gurvich,1996a pt1 p556 pt2 p424.</comment><reference>tpis96</reference><elements><element Ba="1" /><element H="2" /></elements><condensed>True</condensed><molecular_weight>0.13934288</molecular_weight><hf298.15>-190000.000</hf298.15><T_range Thigh="1473.0" Tlow="871.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>8.539288545e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-2.589536064e+04</b1><b2>-4.267585539e+01</b2></T_range></specie><specie inp_file_name="BaH2(L)"><identification><InChIKey>BPYQMQIZFKTCMA-UHFFFAOYSA-N</InChIKey><canonical_smiles>[H-].[H-].[Ba+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>barium(2+);hydride</IUPAC_name></identification><comment>Liquid Gurvich,1996a pt1 p556 pt2 p424.</comment><reference>tpis96</reference><elements><element Ba="1" /><element H="2" /></elements><condensed>True</condensed><molecular_weight>0.13934288</molecular_weight><hf298.15>-190000.000</hf298.15><T_range Thigh="6000.0" Tlow="1473.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>9.020375224e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-2.359720958e+04</b1><b2>-4.414413915e+01</b2></T_range></specie><specie inp_file_name="BaI2(cr)"><identification><InChIKey>SGUXGJPBTNFBAD-UHFFFAOYSA-L</InChIKey><canonical_smiles>[I-].[I-].[Ba+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>barium(2+);diiodide</IUPAC_name></identification><comment>Rhombic. Gurvich,1996a pt1 p582 pt2 p441.</comment><reference>tpis96</reference><elements><element Ba="1" /><element I="2" /></elements><condensed>True</condensed><molecular_weight>0.39113594</molecular_weight><hf298.15>-606000.000</hf298.15><T_range Thigh="500.0" Tlow="100.0"><a1>1.510332529e+04</a1><a2>-6.224807000e+02</a2><a3>1.545037842e+01</a3><a4>-3.239437030e-02</a4><a5>9.253598890e-05</a5><a6>-1.251913725e-07</a6><a7>6.804559110e-11</a7><b1>-7.305629580e+04</b1><b2>-6.364696150e+01</b2></T_range><T_range Thigh="984.0" Tlow="500.0"><a1>-3.247335080e+02</a1><a2>0.000000000e+00</a2><a3>8.607723125e+00</a3><a4>2.399780624e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-7.555873070e+04</b1><b2>-2.989160688e+01</b2></T_range></specie><specie inp_file_name="BaI2(L)"><identification><InChIKey>SGUXGJPBTNFBAD-UHFFFAOYSA-L</InChIKey><canonical_smiles>[I-].[I-].[Ba+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>barium(2+);diiodide</IUPAC_name></identification><comment>Liquid. Gurvich,1996a pt1 p582 pt2 p441.</comment><reference>tpis96</reference><elements><element Ba="1" /><element I="2" /></elements><condensed>True</condensed><molecular_weight>0.39113594</molecular_weight><hf298.15>-606000.000</hf298.15><T_range Thigh="6000.0" Tlow="984.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.359069867e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-7.611264840e+04</b1><b2>-5.863183475e+01</b2></T_range></specie><specie inp_file_name="BaO(cr)"><identification><InChIKey>QVQLCTNNEUAWMS-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[Ba]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>oxobarium</IUPAC_name></identification><comment>Cubic Gurvich,1996a pt1 p547 pt2 p418.</comment><reference>tpis96</reference><elements><element Ba="1" /><element O="1" /></elements><condensed>True</condensed><molecular_weight>0.1533264</molecular_weight><hf298.15>-548000.000</hf298.15><T_range Thigh="500.0" Tlow="200.0"><a1>-3.734308680e+06</a1><a2>7.030482670e+04</a2><a3>-5.334141930e+02</a3><a4>2.143135900e+00</a4><a5>-4.664219600e-03</a5><a6>5.294704440e-06</a6><a7>-2.456512761e-09</a7><b1>-3.833163320e+05</b1><b2>2.789047565e+03</b2></T_range><T_range Thigh="1400.0" Tlow="500.0"><a1>-7.551858137e+04</a1><a2>0.000000000e+00</a2><a3>6.798957485e+00</a3><a4>-1.205482945e-03</a4><a5>7.325747398e-07</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-6.814216420e+04</b1><b2>-3.017618534e+01</b2></T_range><T_range Thigh="2246.0" Tlow="1400.0"><a1>1.380021192e+07</a1><a2>0.000000000e+00</a2><a3>-1.685992319e+01</a3><a4>1.166250326e-02</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-3.704906000e+04</b1><b2>1.274565988e+02</b2></T_range></specie><specie inp_file_name="BaO(L)"><identification><InChIKey>QVQLCTNNEUAWMS-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[Ba]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>oxobarium</IUPAC_name></identification><comment>Liquid Gurvich,1996a pt1 p547 pt2 p418.</comment><reference>tpis96</reference><elements><element Ba="1" /><element O="1" /></elements><condensed>True</condensed><molecular_weight>0.1533264</molecular_weight><hf298.15>-548000.000</hf298.15><T_range Thigh="6000.0" Tlow="2246.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.001863008e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-6.861430250e+04</b1><b2>-5.267326797e+01</b2></T_range></specie><specie inp_file_name="Ba(OH)2(b)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>CrII,rhombic Gurvich,1996a pt1 p558 pt2 p427.</comment><reference>tpis96</reference><elements><element Ba="1" /><element O="2" /><element H="2" /></elements><condensed>True</condensed><molecular_weight>0.17134168</molecular_weight><hf298.15>-940600.000</hf298.15><T_range Thigh="519.0" Tlow="100.0"><a1>5.078717800e+04</a1><a2>-1.641996937e+03</a2><a3>1.964278489e+01</a3><a4>-3.730614630e-02</a4><a5>1.039952734e-04</a5><a6>-8.659369050e-08</a6><a7>2.282290989e-11</a7><b1>-1.085585521e+05</b1><b2>-9.701503650e+01</b2></T_range></specie><specie inp_file_name="Ba(OH)2(a)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>CrI,rhombic Gurvich,1996a pt1 p558 pt2 p427.</comment><reference>tpis96</reference><elements><element Ba="1" /><element O="2" /><element H="2" /></elements><condensed>True</condensed><molecular_weight>0.17134168</molecular_weight><hf298.15>-940600.000</hf298.15><T_range Thigh="681.0" Tlow="519.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.491368704e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.176117467e+05</b1><b2>-7.252241184e+01</b2></T_range></specie><specie inp_file_name="Ba(OH)2(L)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Liquid Gurvich,1996a pt1 p558 pt2 p427.</comment><reference>tpis96</reference><elements><element Ba="1" /><element O="2" /><element H="2" /></elements><condensed>True</condensed><molecular_weight>0.17134168</molecular_weight><hf298.15>-940600.000</hf298.15><T_range Thigh="6000.0" Tlow="681.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.659749041e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.168340700e+05</b1><b2>-8.068104197e+01</b2></T_range></specie><specie inp_file_name="BaS(cr)"><identification><InChIKey>OTMNKCRTGBGNPN-UHFFFAOYSA-N</InChIKey><canonical_smiles>S=[Ba]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>sulfanylidenebarium</IUPAC_name></identification><comment>Cubic. Gurvich,1996a pt1 p584 pt2 p443.</comment><reference>tpis96</reference><elements><element Ba="1" /><element S="1" /></elements><condensed>True</condensed><molecular_weight>0.169392</molecular_weight><hf298.15>-470000.000</hf298.15><T_range Thigh="500.0" Tlow="200.0"><a1>3.369786470e+05</a1><a2>-6.138740230e+03</a2><a3>4.922553770e+01</a3><a4>-1.599274620e-01</a4><a5>3.314481350e-04</a5><a6>-3.600847800e-07</a6><a7>1.611281388e-10</a7><b1>-3.028248993e+04</b1><b2>-2.539125160e+02</b2></T_range><T_range Thigh="2500.0" Tlow="500.0"><a1>-2.050631967e+04</a1><a2>0.000000000e+00</a2><a3>5.920852822e+00</a3><a4>8.307164223e-04</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-5.839868930e+04</b1><b2>-2.466233780e+01</b2></T_range></specie><specie inp_file_name="BaS(L)"><identification><InChIKey>OTMNKCRTGBGNPN-UHFFFAOYSA-N</InChIKey><canonical_smiles>S=[Ba]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>sulfanylidenebarium</IUPAC_name></identification><comment>Liquid. Gurvich,1996a pt1 p584 pt2 p443.</comment><reference>tpis96</reference><elements><element Ba="1" /><element S="1" /></elements><condensed>True</condensed><molecular_weight>0.169392</molecular_weight><hf298.15>-470000.000</hf298.15><T_range Thigh="6000.0" Tlow="2500.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>8.058201866e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-5.356075540e+04</b1><b2>-3.627577743e+01</b2></T_range></specie><specie inp_file_name="BaSO4(a)"><identification><InChIKey>TZCXTZWJZNENPQ-UHFFFAOYSA-L</InChIKey><canonical_smiles>[O-]S(=O)(=O)[O-].[Ba+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>barium(2+);sulfate</IUPAC_name></identification><comment>CrII,rhombic. Gurvich,1996a pt1 p587 pt2 p445.</comment><reference>tpis96</reference><elements><element Ba="1" /><element S="1" /><element O="4" /></elements><condensed>True</condensed><molecular_weight>0.2333896</molecular_weight><hf298.15>-1470000.000</hf298.15><T_range Thigh="500.0" Tlow="200.0"><a1>-1.712286968e+07</a1><a2>3.212789860e+05</a2><a3>-2.441820133e+03</a3><a4>9.713067900e+00</a4><a5>-2.105021811e-02</a5><a6>2.383101570e-05</a6><a7>-1.103328957e-08</a7><b1>-1.624343960e+06</b1><b2>1.276058048e+04</b2></T_range><T_range Thigh="1423.0" Tlow="500.0"><a1>-2.747004935e+05</a1><a2>0.000000000e+00</a2><a3>1.352094110e+01</a3><a4>6.200004570e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.820275447e+05</b1><b2>-6.454315519e+01</b2></T_range></specie><specie inp_file_name="BaSO4(b)"><identification><InChIKey>TZCXTZWJZNENPQ-UHFFFAOYSA-L</InChIKey><canonical_smiles>[O-]S(=O)(=O)[O-].[Ba+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>barium(2+);sulfate</IUPAC_name></identification><comment>CrI,cubic. Gurvich,1996a pt1 p587 pt2 p445.</comment><reference>tpis96</reference><elements><element Ba="1" /><element S="1" /><element O="4" /></elements><condensed>True</condensed><molecular_weight>0.2333896</molecular_weight><hf298.15>-1470000.000</hf298.15><T_range Thigh="1853.0" Tlow="1423.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.044618384e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.842091207e+05</b1><b2>-1.050884025e+02</b2></T_range></specie><specie inp_file_name="BaSO4(L)"><identification><InChIKey>TZCXTZWJZNENPQ-UHFFFAOYSA-L</InChIKey><canonical_smiles>[O-]S(=O)(=O)[O-].[Ba+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>barium(2+);sulfate</IUPAC_name></identification><comment>Liquid. Gurvich,1996a pt1 p587 pt2 p435.</comment><reference>tpis96</reference><elements><element Ba="1" /><element S="1" /><element O="4" /></elements><condensed>True</condensed><molecular_weight>0.2333896</molecular_weight><hf298.15>-1470000.000</hf298.15><T_range Thigh="6000.0" Tlow="1853.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.044618384e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.793982539e+05</b1><b2>-1.024921441e+02</b2></T_range></specie><specie inp_file_name="Be(a)"><identification><InChIKey>ATBAMAFKBVZNFJ-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Be]</canonical_smiles><cas_number>7440-41-7</cas_number><IUPAC_name>beryllium</IUPAC_name></identification><comment>Alpha. Ref-Elm. Alcock,1993.</comment><reference>srd 93</reference><elements><element Be="1" /></elements><condensed>True</condensed><molecular_weight>0.009012181999999999</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="298.15" Tlow="100.0"><a1>3.532378938e+03</a1><a2>0.000000000e+00</a2><a3>-1.827528020e+00</a3><a4>1.895481514e-02</a4><a5>-2.121592253e-05</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-9.832146860e+01</b1><b2>6.866894114e+00</b2></T_range><T_range Thigh="1543.0" Tlow="298.15"><a1>-7.064757875e+04</a1><a2>0.000000000e+00</a2><a3>2.550360755e+00</a3><a4>6.848268870e-04</a4><a5>1.157013462e-07</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.028803669e+03</b1><b2>-1.399471510e+01</b2></T_range></specie><specie inp_file_name="Be(b)"><identification><InChIKey>ATBAMAFKBVZNFJ-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Be]</canonical_smiles><cas_number>7440-41-7</cas_number><IUPAC_name>beryllium</IUPAC_name></identification><comment>Beta. Ref-Elm. Alcock,1993.</comment><reference>srd 93</reference><elements><element Be="1" /></elements><condensed>True</condensed><molecular_weight>0.009012181999999999</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="1563.0" Tlow="1543.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>3.608150089e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-8.524497790e+02</b1><b2>-2.002895768e+01</b2></T_range></specie><specie inp_file_name="Be(L)"><identification><InChIKey>ATBAMAFKBVZNFJ-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Be]</canonical_smiles><cas_number>7440-41-7</cas_number><IUPAC_name>beryllium</IUPAC_name></identification><comment>Liquid. Ref-Elm. Alcock,1993.</comment><reference>srd 93</reference><elements><element Be="1" /></elements><condensed>True</condensed><molecular_weight>0.009012181999999999</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="6000.0" Tlow="1563.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>3.545608821e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>2.074755804e+02</b1><b2>-1.895341257e+01</b2></T_range></specie><specie inp_file_name="BeAl2O4(cr)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Chase,1998 pp139-41.</comment><reference>j12/79</reference><elements><element Be="1" /><element Al="2" /><element O="4" /></elements><condensed>True</condensed><molecular_weight>0.126972858</molecular_weight><hf298.15>-2300782.000</hf298.15><T_range Thigh="600.0" Tlow="200.0"><a1>5.671733300e+05</a1><a2>-8.864346630e+03</a2><a3>4.407635150e+01</a3><a4>-3.612460380e-02</a4><a5>3.491655240e-05</a5><a6>-1.451255323e-08</a6><a7>0.000000000e+00</a7><b1>-2.361266575e+05</b1><b2>-2.603504873e+02</b2></T_range><T_range Thigh="1200.0" Tlow="600.0"><a1>3.035781649e+07</a1><a2>-2.195328809e+05</a2><a3>6.571002230e+02</a3><a4>-9.751675120e-01</a4><a5>8.342636270e-04</a5><a6>-3.757959390e-07</a6><a7>6.972665420e-11</a7><b1>9.154378130e+05</b1><b2>-4.048262870e+03</b2></T_range><T_range Thigh="2146.0" Tlow="1200.0"><a1>5.346540420e+06</a1><a2>-2.333165977e+04</a2><a3>6.465121650e+01</a3><a4>-5.623102150e-02</a4><a5>4.944443190e-05</a5><a6>-2.347465372e-08</a6><a7>4.584679740e-12</a7><b1>-1.453507980e+05</b1><b2>-3.997587750e+02</b2></T_range></specie><specie inp_file_name="BeAl2O4(L)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Chase,1998 pp139-41.</comment><reference>j12/79</reference><elements><element Be="1" /><element Al="2" /><element O="4" /></elements><condensed>True</condensed><molecular_weight>0.126972858</molecular_weight><hf298.15>-2300782.000</hf298.15><T_range Thigh="6000.0" Tlow="2146.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.963602185e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-2.805665995e+05</b1><b2>-1.711673740e+02</b2></T_range></specie><specie inp_file_name="BeBr2(cr)"><identification><InChIKey>PBKYCFJFZMEFRS-UHFFFAOYSA-L</InChIKey><canonical_smiles>[Be+2].[Br-].[Br-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>beryllium;dibromide</IUPAC_name></identification><comment>Cr,rhombic. Gurvich,1996a pt1 p376 pt2 p301.</comment><reference>tpis96</reference><elements><element Be="1" /><element Br="2" /></elements><condensed>True</condensed><molecular_weight>0.16882018199999999</molecular_weight><hf298.15>-358000.000</hf298.15><T_range Thigh="781.0" Tlow="298.15"><a1>-1.296528599e+05</a1><a2>0.000000000e+00</a2><a3>9.544519160e+00</a3><a4>8.967455689e-04</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-4.637767130e+04</b1><b2>-4.238810553e+01</b2></T_range></specie><specie inp_file_name="BeBr2(L)"><identification><InChIKey>PBKYCFJFZMEFRS-UHFFFAOYSA-L</InChIKey><canonical_smiles>[Be+2].[Br-].[Br-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>beryllium;dibromide</IUPAC_name></identification><comment>Liquid.Gurvich,1996a pt1 p376 pt2 p301.</comment><reference>tpis96</reference><elements><element Be="1" /><element Br="2" /></elements><condensed>True</condensed><molecular_weight>0.16882018199999999</molecular_weight><hf298.15>-358000.000</hf298.15><T_range Thigh="6000.0" Tlow="781.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.202716696e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-4.571223050e+04</b1><b2>-5.534538359e+01</b2></T_range></specie><specie inp_file_name="BeCO3(cr)"><identification><InChIKey>ZBUQRSWEONVBES-UHFFFAOYSA-L</InChIKey><canonical_smiles>[Be+2].C(=O)([O-])[O-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>beryllium;carbonate</IUPAC_name></identification><comment>Gurvich,1996a pt1 p385 pt2 p310.</comment><reference>tpis96</reference><elements><element Be="1" /><element C="1" /><element O="3" /></elements><condensed>True</condensed><molecular_weight>0.06902108200000001</molecular_weight><hf298.15>-1045000.000</hf298.15><T_range Thigh="6000.0" Tlow="298.0"><a1>-3.688732108e+05</a1><a2>0.000000000e+00</a2><a3>1.057428520e+01</a3><a4>4.670148932e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.302813975e+05</b1><b2>-5.746109667e+01</b2></T_range></specie><specie inp_file_name="BeCl2(a)"><identification><InChIKey>LWBPNIJBHRISSS-UHFFFAOYSA-L</InChIKey><canonical_smiles>[Be+2].[Cl-].[Cl-]</canonical_smiles><cas_number>7787-47-5</cas_number><IUPAC_name>beryllium;dichloride</IUPAC_name></identification><comment>Cr,rhombic. Gurvich,1996a pt1 p370 pt2 p296.</comment><reference>tpis96</reference><elements><element Be="1" /><element Cl="2" /></elements><condensed>True</condensed><molecular_weight>0.079918182</molecular_weight><hf298.15>-496200.000</hf298.15><T_range Thigh="676.0" Tlow="200.0"><a1>-9.696336540e+05</a1><a2>1.653841300e+04</a2><a3>-1.120322868e+02</a3><a4>4.343457410e-01</a4><a5>-8.234422230e-04</a5><a6>7.967601960e-07</a6><a7>-3.089202126e-10</a7><b1>-1.372167152e+05</b1><b2>5.981191760e+02</b2></T_range></specie><specie inp_file_name="BeCl2(b)"><identification><InChIKey>LWBPNIJBHRISSS-UHFFFAOYSA-L</InChIKey><canonical_smiles>[Be+2].[Cl-].[Cl-]</canonical_smiles><cas_number>7787-47-5</cas_number><IUPAC_name>beryllium;dichloride</IUPAC_name></identification><comment>CrI. Gurvich,1996a pt1 p370 pt2 p296.</comment><reference>tpis96</reference><elements><element Be="1" /><element Cl="2" /></elements><condensed>True</condensed><molecular_weight>0.079918182</molecular_weight><hf298.15>-496200.000</hf298.15><T_range Thigh="688.0" Tlow="676.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>8.056999150e+00</a3><a4>2.516083329e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-6.169505530e+04</b1><b2>-3.701517264e+01</b2></T_range></specie><specie inp_file_name="BeCl2(L)"><identification><InChIKey>LWBPNIJBHRISSS-UHFFFAOYSA-L</InChIKey><canonical_smiles>[Be+2].[Cl-].[Cl-]</canonical_smiles><cas_number>7787-47-5</cas_number><IUPAC_name>beryllium;dichloride</IUPAC_name></identification><comment>Liquid.Gurvich,1996a pt1 p370 pt2 p296.</comment><reference>tpis96</reference><elements><element Be="1" /><element Cl="2" /></elements><condensed>True</condensed><molecular_weight>0.079918182</molecular_weight><hf298.15>-496200.000</hf298.15><T_range Thigh="6000.0" Tlow="688.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.106499361e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-6.212751630e+04</b1><b2>-5.342382325e+01</b2></T_range></specie><specie inp_file_name="BeF2(a)"><identification><InChIKey>JZKFIPKXQBZXMW-UHFFFAOYSA-L</InChIKey><canonical_smiles>[Be+2].[F-].[F-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>beryllium;difluoride</IUPAC_name></identification><comment>CrII,hexagonal.Gurvich,1996a pt1 p364 pt2 p292.</comment><reference>tpis96</reference><elements><element Be="1" /><element F="2" /></elements><condensed>True</condensed><molecular_weight>0.0470089884</molecular_weight><hf298.15>-1027000.000</hf298.15><T_range Thigh="493.0" Tlow="200.0"><a1>3.082582728e+05</a1><a2>-5.000745390e+03</a2><a3>3.049066381e+01</a3><a4>-5.416146720e-02</a4><a5>5.846680620e-05</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.011928897e+05</b1><b2>-1.687961461e+02</b2></T_range></specie><specie inp_file_name="BeF2(b)"><identification><InChIKey>JZKFIPKXQBZXMW-UHFFFAOYSA-L</InChIKey><canonical_smiles>[Be+2].[F-].[F-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>beryllium;difluoride</IUPAC_name></identification><comment>CrI,hexagonal.Gurvich,1996a pt1 p364 pt2 p292.</comment><reference>tpis96</reference><elements><element Be="1" /><element F="2" /></elements><condensed>True</condensed><molecular_weight>0.0470089884</molecular_weight><hf298.15>-1027000.000</hf298.15><T_range Thigh="823.0" Tlow="493.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>5.652527930e+00</a3><a4>3.986885577e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.252903029e+05</b1><b2>-2.679700109e+01</b2></T_range></specie><specie inp_file_name="BeF2(L)"><identification><InChIKey>JZKFIPKXQBZXMW-UHFFFAOYSA-L</InChIKey><canonical_smiles>[Be+2].[F-].[F-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>beryllium;difluoride</IUPAC_name></identification><comment>Liquid.Gurvich,1996a pt1 p364 pt2 p292.</comment><reference>tpis96</reference><elements><element Be="1" /><element F="2" /></elements><condensed>True</condensed><molecular_weight>0.0470089884</molecular_weight><hf298.15>-1027000.000</hf298.15><T_range Thigh="6000.0" Tlow="823.0"><a1>-1.882035141e+06</a1><a2>0.000000000e+00</a2><a3>1.234468417e+01</a3><a4>-1.836548396e-04</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.310986361e+05</b1><b2>-6.898102574e+01</b2></T_range></specie><specie inp_file_name="BeI2(cr)"><identification><InChIKey>JUCWKFHIHJQTFR-UHFFFAOYSA-L</InChIKey><canonical_smiles>[Be+2].[I-].[I-]</canonical_smiles><cas_number>7787-53-3</cas_number><IUPAC_name>beryllium;diiodide</IUPAC_name></identification><comment>Cr,rhombic. Gurvich,1996a pt1 p379 pt2 p304.</comment><reference>tpis96</reference><elements><element Be="1" /><element I="2" /></elements><condensed>True</condensed><molecular_weight>0.262821122</molecular_weight><hf298.15>-191000.000</hf298.15><T_range Thigh="763.0" Tlow="298.15"><a1>-1.443741122e+05</a1><a2>0.000000000e+00</a2><a3>1.007828483e+01</a3><a4>3.371214900e-04</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-2.647594661e+04</b1><b2>-4.378170625e+01</b2></T_range></specie><specie inp_file_name="BeI2(L)"><identification><InChIKey>JUCWKFHIHJQTFR-UHFFFAOYSA-L</InChIKey><canonical_smiles>[Be+2].[I-].[I-]</canonical_smiles><cas_number>7787-53-3</cas_number><IUPAC_name>beryllium;diiodide</IUPAC_name></identification><comment>Liquid.Gurvich,1996a pt1 p379 pt2 p304.</comment><reference>tpis96</reference><elements><element Be="1" /><element I="2" /></elements><condensed>True</condensed><molecular_weight>0.262821122</molecular_weight><hf298.15>-191000.000</hf298.15><T_range Thigh="6000.0" Tlow="763.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.202716696e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-2.551070377e+04</b1><b2>-5.349837990e+01</b2></T_range></specie><specie inp_file_name="BeO(a)"><identification><InChIKey>LTPBRCUWZOMYOC-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Be]=O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>oxoberyllium</IUPAC_name></identification><comment>CrII,hexagonal. Gurvich,1996a pt1 p348 pt2 p278.</comment><reference>tpis96</reference><elements><element Be="1" /><element O="1" /></elements><condensed>True</condensed><molecular_weight>0.025011582</molecular_weight><hf298.15>-609400.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>2.047701543e+05</a1><a2>-2.981173217e+03</a2><a3>1.385643338e+01</a3><a4>-1.581697711e-02</a4><a5>2.353849388e-05</a5><a6>-1.941029834e-08</a6><a7>6.520569610e-12</a7><b1>-5.922219190e+04</b1><b2>-8.231113660e+01</b2></T_range><T_range Thigh="2373.0" Tlow="1000.0"><a1>1.024057237e+06</a1><a2>1.937465590e+03</a2><a3>-2.170213872e+00</a3><a4>6.700940070e-03</a4><a5>-1.829092628e-06</a5><a6>2.757893870e-10</a6><a7>-2.712743027e-14</a7><b1>-8.276808970e+04</b1><b2>1.896607400e+01</b2></T_range></specie><specie inp_file_name="BeO(b)"><identification><InChIKey>LTPBRCUWZOMYOC-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Be]=O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>oxoberyllium</IUPAC_name></identification><comment>CrI,tetragonal. Gurvich,1996a pt1 p348 pt2 p278.</comment><reference>tpis96</reference><elements><element Be="1" /><element O="1" /></elements><condensed>True</condensed><molecular_weight>0.025011582</molecular_weight><hf298.15>-609400.000</hf298.15><T_range Thigh="2851.0" Tlow="2373.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>6.735213500e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-7.674474850e+04</b1><b2>-3.937528813e+01</b2></T_range></specie><specie inp_file_name="BeO(L)"><identification><InChIKey>LTPBRCUWZOMYOC-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Be]=O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>oxoberyllium</IUPAC_name></identification><comment>Liquid. Gurvich,1996a pt1 p348 pt2 p278.</comment><reference>tpis96</reference><elements><element Be="1" /><element O="1" /></elements><condensed>True</condensed><molecular_weight>0.025011582</molecular_weight><hf298.15>-609400.000</hf298.15><T_range Thigh="6000.0" Tlow="2851.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.010282025e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-7.600243170e+04</b1><b2>-6.253805395e+01</b2></T_range></specie><specie inp_file_name="Be(OH)2(b)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Rhombic,beta.Gurvich,1996a pt1 p359 pt2 p289.</comment><reference>tpis96</reference><elements><element Be="1" /><element O="2" /><element H="2" /></elements><condensed>True</condensed><molecular_weight>0.043026862</molecular_weight><hf298.15>-905700.000</hf298.15><T_range Thigh="500.0" Tlow="200.0"><a1>-2.821507074e+07</a1><a2>5.306026240e+05</a2><a3>-4.050124700e+03</a3><a4>1.608285663e+01</a4><a5>-3.491136410e-02</a5><a6>3.956008990e-05</a6><a7>-1.833019806e-08</a7><b1>-2.495097922e+06</b1><b2>2.114570392e+04</b2></T_range><T_range Thigh="6000.0" Tlow="500.0"><a1>-4.549275904e+05</a1><a2>0.000000000e+00</a2><a3>1.198362862e+01</a3><a4>2.034996650e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.141192354e+05</b1><b2>-6.597431876e+01</b2></T_range></specie><specie inp_file_name="BeS(cr)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Cr,cubic. Gurvich,1996a pt1 p381 pt2 p306.</comment><reference>tpis96</reference><elements><element Be="1" /><element S="1" /></elements><condensed>True</condensed><molecular_weight>0.041077182000000004</molecular_weight><hf298.15>-236000.000</hf298.15><T_range Thigh="6000.0" Tlow="298.0"><a1>-1.061156941e+05</a1><a2>0.000000000e+00</a2><a3>4.876054031e+00</a3><a4>1.363880734e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-3.025444334e+04</b1><b2>-2.469606404e+01</b2></T_range></specie><specie inp_file_name="BeSO4(a)"><identification><InChIKey>KQHXBDOEECKORE-UHFFFAOYSA-L</InChIKey><canonical_smiles>[Be+2].[O-]S(=O)(=O)[O-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>beryllium;sulfate</IUPAC_name></identification><comment>CrIII,tetr. Gurvich,1996a pt1 p383 pt2 p308.</comment><reference>tpis96</reference><elements><element Be="1" /><element S="1" /><element O="4" /></elements><condensed>True</condensed><molecular_weight>0.105074782</molecular_weight><hf298.15>-1200000.000</hf298.15><T_range Thigh="861.0" Tlow="200.0"><a1>9.674052850e+05</a1><a2>-1.525976877e+04</a2><a3>9.078019340e+01</a3><a4>-2.151323890e-01</a4><a5>3.405813330e-04</a5><a6>-2.623119799e-07</a6><a7>8.137303080e-11</a7><b1>-7.417050650e+04</b1><b2>-5.024380540e+02</b2></T_range></specie><specie inp_file_name="BeSO4(b)"><identification><InChIKey>KQHXBDOEECKORE-UHFFFAOYSA-L</InChIKey><canonical_smiles>[Be+2].[O-]S(=O)(=O)[O-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>beryllium;sulfate</IUPAC_name></identification><comment>CrII,rhombic. Gurvich,1996a pt1 p383 pt2 p308.</comment><reference>tpis96</reference><elements><element Be="1" /><element S="1" /><element O="4" /></elements><condensed>True</condensed><molecular_weight>0.105074782</molecular_weight><hf298.15>-1200000.000</hf298.15><T_range Thigh="912.0" Tlow="861.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.804075045e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.508085273e+05</b1><b2>-9.670719282e+01</b2></T_range></specie><specie inp_file_name="BeSO4(c)"><identification><InChIKey>KQHXBDOEECKORE-UHFFFAOYSA-L</InChIKey><canonical_smiles>[Be+2].[O-]S(=O)(=O)[O-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>beryllium;sulfate</IUPAC_name></identification><comment>CrI,cubic. Gurvich,1996a pt1 p383 pt2 p308.</comment><reference>tpis96</reference><elements><element Be="1" /><element S="1" /><element O="4" /></elements><condensed>True</condensed><molecular_weight>0.105074782</molecular_weight><hf298.15>-1200000.000</hf298.15><T_range Thigh="1400.0" Tlow="912.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.804075045e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.505559568e+05</b1><b2>-9.643025148e+01</b2></T_range></specie><specie inp_file_name="BeSO4(L)"><identification><InChIKey>KQHXBDOEECKORE-UHFFFAOYSA-L</InChIKey><canonical_smiles>[Be+2].[O-]S(=O)(=O)[O-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>beryllium;sulfate</IUPAC_name></identification><comment>Liquid. Gurvich,1996a pt1 p383 pt2 p308.</comment><reference>tpis96</reference><elements><element Be="1" /><element S="1" /><element O="4" /></elements><condensed>True</condensed><molecular_weight>0.105074782</molecular_weight><hf298.15>-1200000.000</hf298.15><T_range Thigh="6000.0" Tlow="1400.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.804075045e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.498343268e+05</b1><b2>-9.591480146e+01</b2></T_range></specie><specie inp_file_name="Be2C(cr)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Barin,1989. Barin,1973.</comment><reference>bar 89</reference><elements><element Be="2" /><element C="1" /></elements><condensed>True</condensed><molecular_weight>0.030035063999999997</molecular_weight><hf298.15>-116984.640</hf298.15><T_range Thigh="2400.0" Tlow="298.15"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>4.437364559e+00</a3><a4>2.569424296e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.550714068e+04</b1><b2>-2.408584259e+01</b2></T_range></specie><specie inp_file_name="Be2C(L)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Barin,1989. Barin,1973.</comment><reference>bar 89</reference><elements><element Be="2" /><element C="1" /></elements><condensed>True</condensed><molecular_weight>0.030035063999999997</molecular_weight><hf298.15>-116984.640</hf298.15><T_range Thigh="6000.0" Tlow="2400.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.107076665e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.496946374e+04</b1><b2>-6.577435374e+01</b2></T_range></specie><specie inp_file_name="Be3N2(a)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>CrII,cubic. Gurvich,1996a pt1 p384 pt2 p309.</comment><reference>tpis96</reference><elements><element Be="3" /><element N="2" /></elements><condensed>True</condensed><molecular_weight>0.055049945999999995</molecular_weight><hf298.15>-588000.000</hf298.15><T_range Thigh="500.0" Tlow="200.0"><a1>6.443341310e+05</a1><a2>-9.239880870e+03</a2><a3>4.211333200e+01</a3><a4>-4.513325350e-02</a4><a5>3.232975930e-05</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-2.674920290e+04</b1><b2>-2.511544265e+02</b2></T_range><T_range Thigh="1673.0" Tlow="500.0"><a1>-2.278465381e+05</a1><a2>4.432191420e+02</a2><a3>1.376274664e+00</a3><a4>3.225384830e-02</a4><a5>-2.704770612e-05</a5><a6>8.116575420e-09</a6><a7>-6.682374890e-14</a7><b1>-7.562743780e+04</b1><b2>-1.197625563e+01</b2></T_range></specie><specie inp_file_name="Be3N2(b)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>CrI,hexagonal. Gurvich,1996a pt1 p384 pt2 p309.</comment><reference>tpis96</reference><elements><element Be="3" /><element N="2" /></elements><condensed>True</condensed><molecular_weight>0.055049945999999995</molecular_weight><hf298.15>-588000.000</hf298.15><T_range Thigh="2473.0" Tlow="1673.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.743939210e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-7.850942150e+04</b1><b2>-1.016302777e+02</b2></T_range></specie><specie inp_file_name="Be3N2(L)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Liquid. Gurvich,1996a pt1 p384 pt2 p309.</comment><reference>tpis96</reference><elements><element Be="3" /><element N="2" /></elements><condensed>True</condensed><molecular_weight>0.055049945999999995</molecular_weight><hf298.15>-588000.000</hf298.15><T_range Thigh="6000.0" Tlow="2473.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.008536883e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-7.182303830e+04</b1><b2>-1.169540588e+02</b2></T_range></specie><specie inp_file_name="Br2(cr)"><identification><InChIKey>GDTBXPJZTBHREO-UHFFFAOYSA-N</InChIKey><canonical_smiles>BrBr</canonical_smiles><cas_number>23724-81-4</cas_number><IUPAC_name>molecular bromine</IUPAC_name></identification><comment>Rhombic. Gurvich,1989 pt2 p314. Chase,1998 p471 (6/82).</comment><reference>g 8/01</reference><elements><element Br="2" /></elements><condensed>True</condensed><molecular_weight>0.159808</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="265.9" Tlow="200.0"><a1>-5.550117110e+06</a1><a2>1.610953162e+05</a2><a3>-1.913542203e+03</a3><a4>1.201711944e+01</a4><a5>-4.170621540e-02</a5><a6>7.615296370e-05</a6><a7>-5.694588430e-08</a7><b1>-6.565415920e+05</b1><b2>9.135571000e+03</b2></T_range></specie><specie inp_file_name="Br2(L)"><identification><InChIKey>GDTBXPJZTBHREO-UHFFFAOYSA-N</InChIKey><canonical_smiles>BrBr</canonical_smiles><cas_number>23724-81-4</cas_number><IUPAC_name>molecular bromine</IUPAC_name></identification><comment>Liq.Ref-Elm.Gurvich,1989 pt2 p314.Chase,1998 p471(6/82).</comment><reference>g 8/01</reference><elements><element Br="2" /></elements><condensed>True</condensed><molecular_weight>0.159808</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="332.503" Tlow="265.9"><a1>5.661619720e+06</a1><a2>-6.002788720e+04</a2><a3>3.963572800e+01</a3><a4>2.194289283e+00</a4><a5>-1.209616100e-02</a5><a6>2.608732123e-05</a6><a7>-2.065978604e-08</a7><b1>3.167204530e+05</b1><b2>-6.832596160e+02</b2></T_range><T_range Thigh="6000.0" Tlow="332.503"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>9.056697268e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-2.699852754e+03</b1><b2>-3.329354185e+01</b2></T_range></specie><specie inp_file_name="C(gr)"><identification><InChIKey>OKTJSMMVPCPJKN-UHFFFAOYSA-N</InChIKey><canonical_smiles>[C]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>carbon</IUPAC_name></identification><comment>Graphite. Ref-Elm. TRC(4/83) vc,uc,tc1000-1002.</comment><reference>n 4/83</reference><elements><element C="1" /></elements><condensed>True</condensed><molecular_weight>0.0120107</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="600.0" Tlow="200.0"><a1>1.132856760e+05</a1><a2>-1.980421677e+03</a2><a3>1.365384188e+01</a3><a4>-4.636096440e-02</a4><a5>1.021333011e-04</a5><a6>-1.082893179e-07</a6><a7>4.472258860e-11</a7><b1>8.943859760e+03</b1><b2>-7.295824740e+01</b2></T_range><T_range Thigh="2000.0" Tlow="600.0"><a1>3.356004410e+05</a1><a2>-2.596528368e+03</a2><a3>6.948841910e+00</a3><a4>-3.484836090e-03</a4><a5>1.844192445e-06</a5><a6>-5.055205960e-10</a6><a7>5.750639010e-14</a7><b1>1.398412456e+04</b1><b2>-4.477183040e+01</b2></T_range><T_range Thigh="6000.0" Tlow="2000.0"><a1>2.023105106e+05</a1><a2>-1.138235908e+03</a2><a3>3.700279500e+00</a3><a4>-1.833807727e-04</a4><a5>6.343683250e-08</a5><a6>-7.068589480e-12</a6><a7>3.335435980e-16</a7><b1>5.848134850e+03</b1><b2>-2.350925275e+01</b2></T_range></specie><specie inp_file_name="Ca(a)"><identification><InChIKey>OYPRJOBELJOOCE-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Ca]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>calcium</IUPAC_name></identification><comment>Alpha. Ref-Elm. Alcock,1993.</comment><reference>srd 93</reference><elements><element Ca="1" /></elements><condensed>True</condensed><molecular_weight>0.040078</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="298.15" Tlow="200.0"><a1>2.209214594e+04</a1><a2>0.000000000e+00</a2><a3>-2.387095323e+00</a3><a4>4.674833430e-02</a4><a5>-1.481690580e-04</a5><a6>1.686114356e-07</a6><a7>0.000000000e+00</a7><b1>-3.160902334e+02</b1><b2>9.998907900e+00</b2></T_range><T_range Thigh="716.0" Tlow="298.15"><a1>8.959632100e+03</a1><a2>0.000000000e+00</a2><a3>2.440591375e+00</a3><a4>1.722094077e-03</a4><a5>4.744000490e-07</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-7.783440840e+02</b1><b2>-9.273708050e+00</b2></T_range></specie><specie inp_file_name="Ca(b)"><identification><InChIKey>OYPRJOBELJOOCE-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Ca]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>calcium</IUPAC_name></identification><comment>Beta. Ref-Elm. Alcock,1993.</comment><reference>srd 93</reference><elements><element Ca="1" /></elements><condensed>True</condensed><molecular_weight>0.040078</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="1115.0" Tlow="716.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>5.701117685e+00</a3><a4>-5.810564904e-03</a4><a5>4.022125176e-06</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.516788311e+03</b1><b2>-2.607588230e+01</b2></T_range></specie><specie inp_file_name="Ca(L)"><identification><InChIKey>OYPRJOBELJOOCE-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Ca]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>calcium</IUPAC_name></identification><comment>Liquid. Ref-Elm. Alcock,1993.</comment><reference>srd 93</reference><elements><element Ca="1" /></elements><condensed>True</condensed><molecular_weight>0.040078</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="6000.0" Tlow="1115.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>4.570323447e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-9.822680100e+02</b1><b2>-2.119893317e+01</b2></T_range></specie><specie inp_file_name="CaBr2(cr)"><identification><InChIKey>WGEFECGEFUFIQW-UHFFFAOYSA-L</InChIKey><canonical_smiles>[Ca+2].[Br-].[Br-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>calcium;dibromide</IUPAC_name></identification><comment>Rhombic Gurvich,1996a pt1 p473 pt2 p368.</comment><reference>tpis96</reference><elements><element Ca="1" /><element Br="2" /></elements><condensed>True</condensed><molecular_weight>0.199886</molecular_weight><hf298.15>-683800.000</hf298.15><T_range Thigh="1015.0" Tlow="298.15"><a1>-2.826384237e+04</a1><a2>0.000000000e+00</a2><a3>8.872561342e+00</a3><a4>1.586623866e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-8.505243950e+04</b1><b2>-3.554898721e+01</b2></T_range></specie><specie inp_file_name="CaBr2(L)"><identification><InChIKey>WGEFECGEFUFIQW-UHFFFAOYSA-L</InChIKey><canonical_smiles>[Ca+2].[Br-].[Br-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>calcium;dibromide</IUPAC_name></identification><comment>Liquid Gurvich,1996a pt1 p473 pt2 p368.</comment><reference>tpis96</reference><elements><element Ca="1" /><element Br="2" /></elements><condensed>True</condensed><molecular_weight>0.199886</molecular_weight><hf298.15>-683800.000</hf298.15><T_range Thigh="6000.0" Tlow="1015.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.202716696e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-8.390932270e+04</b1><b2>-5.231487518e+01</b2></T_range></specie><specie inp_file_name="CaCO3(cr)"><identification><InChIKey>VTYYLEPIZMXCLO-UHFFFAOYSA-L</InChIKey><canonical_smiles>C(=O)([O-])[O-].[Ca+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>calcium;carbonate</IUPAC_name></identification><comment>Hexagonal Gurvich,1996a pt1 p483 pt2 p376.</comment><reference>tpis96</reference><elements><element Ca="1" /><element C="1" /><element O="3" /></elements><condensed>True</condensed><molecular_weight>0.1000869</molecular_weight><hf298.15>-1206600.000</hf298.15><T_range Thigh="500.0" Tlow="200.0"><a1>-1.329862425e+07</a1><a2>2.500517168e+05</a2><a3>-1.907177167e+03</a3><a4>7.616666270e+00</a4><a5>-1.655870860e-02</a5><a6>1.879382277e-05</a6><a7>-8.720713270e-09</a7><b1>-1.271058215e+06</b1><b2>9.957497560e+03</b2></T_range><T_range Thigh="1603.0" Tlow="500.0"><a1>-2.583555736e+05</a1><a2>0.000000000e+00</a2><a3>1.197256363e+01</a3><a4>3.263812299e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.497009803e+05</b1><b2>-5.961133653e+01</b2></T_range></specie><specie inp_file_name="CaCO3(L)"><identification><InChIKey>VTYYLEPIZMXCLO-UHFFFAOYSA-L</InChIKey><canonical_smiles>C(=O)([O-])[O-].[Ca+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>calcium;carbonate</IUPAC_name></identification><comment>Liquid Gurvich,1996a pt1 p483 pt2 p376.</comment><reference>tpis96</reference><elements><element Ca="1" /><element C="1" /><element O="3" /></elements><condensed>True</condensed><molecular_weight>0.1000869</molecular_weight><hf298.15>-1206600.000</hf298.15><T_range Thigh="6000.0" Tlow="1603.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.924346714e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.526719277e+05</b1><b2>-1.052847193e+02</b2></T_range></specie><specie inp_file_name="CaCl2(cr)"><identification><InChIKey>UXVMQQNJUSDDNG-UHFFFAOYSA-L</InChIKey><canonical_smiles>[Cl-].[Cl-].[Ca+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>calcium;dichloride</IUPAC_name></identification><comment>Rhombic. Gurvich,1996a pt1 p467 pt2 p365.</comment><reference>tpis96</reference><elements><element Ca="1" /><element Cl="2" /></elements><condensed>True</condensed><molecular_weight>0.110984</molecular_weight><hf298.15>-795800.000</hf298.15><T_range Thigh="500.0" Tlow="100.0"><a1>6.000206010e+03</a1><a2>-4.466152170e+02</a2><a3>8.199988600e+00</a3><a4>2.374917562e-02</a4><a5>-1.002337283e-04</a5><a6>1.782027609e-07</a6><a7>-1.141389034e-10</a7><b1>-9.606057780e+04</b1><b2>-3.912159570e+01</b2></T_range><T_range Thigh="1048.0" Tlow="500.0"><a1>-3.018818908e+04</a1><a2>0.000000000e+00</a2><a3>8.644766799e+00</a3><a4>1.529735366e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-9.845880750e+04</b1><b2>-3.684266549e+01</b2></T_range></specie><specie inp_file_name="CaCl2(L)"><identification><InChIKey>UXVMQQNJUSDDNG-UHFFFAOYSA-L</InChIKey><canonical_smiles>[Cl-].[Cl-].[Ca+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>calcium;dichloride</IUPAC_name></identification><comment>Liquid. Gurvich,1996a pt1 p467 pt2 p365.</comment><reference>tpis96</reference><elements><element Ca="1" /><element Cl="2" /></elements><condensed>True</condensed><molecular_weight>0.110984</molecular_weight><hf298.15>-795800.000</hf298.15><T_range Thigh="6000.0" Tlow="1048.0"><a1>2.661491778e+06</a1><a2>0.000000000e+00</a2><a3>1.078355790e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-9.391818610e+04</b1><b2>-4.566953897e+01</b2></T_range></specie><specie inp_file_name="CaF2(a)"><identification><InChIKey>WUKWITHWXAAZEY-UHFFFAOYSA-L</InChIKey><canonical_smiles>[F-].[F-].[Ca+2]</canonical_smiles><cas_number>7789-75-5</cas_number><IUPAC_name>calcium;difluoride</IUPAC_name></identification><comment>CrII,cubic.Gurvich,1996a pt1 p461 pt2 p361.</comment><reference>tpis96</reference><elements><element Ca="1" /><element F="2" /></elements><condensed>True</condensed><molecular_weight>0.0780748064</molecular_weight><hf298.15>-1228000.000</hf298.15><T_range Thigh="500.0" Tlow="200.0"><a1>-9.875281260e+05</a1><a2>1.337426670e+04</a2><a3>-6.261903110e+01</a3><a4>1.617894422e-01</a4><a5>-1.271795719e-04</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-2.146045473e+05</b1><b2>3.617287210e+02</b2></T_range><T_range Thigh="1000.0" Tlow="500.0"><a1>-6.961842180e+06</a1><a2>4.692065010e+04</a2><a3>-1.157708151e+02</a3><a4>1.655025287e-01</a4><a5>-1.108459197e-04</a5><a6>3.213053720e-08</a6><a7>0.000000000e+00</a7><b1>-4.101016540e+05</b1><b2>7.419533450e+02</b2></T_range><T_range Thigh="1424.0" Tlow="1000.0"><a1>1.438558077e+09</a1><a2>7.852955040e+05</a2><a3>-1.342916213e+04</a3><a4>2.192783112e+01</a4><a5>-1.383442475e-02</a5><a6>3.122877330e-06</a6><a7>0.000000000e+00</a7><b1>2.168972069e+06</b1><b2>7.823794920e+04</b2></T_range></specie><specie inp_file_name="CaF2(b)"><identification><InChIKey>WUKWITHWXAAZEY-UHFFFAOYSA-L</InChIKey><canonical_smiles>[F-].[F-].[Ca+2]</canonical_smiles><cas_number>7789-75-5</cas_number><IUPAC_name>calcium;difluoride</IUPAC_name></identification><comment>CrI,cubic.Gurvich,1996a pt1 p461 pt2 p361.</comment><reference>tpis96</reference><elements><element Ca="1" /><element F="2" /></elements><condensed>True</condensed><molecular_weight>0.0780748064</molecular_weight><hf298.15>-1228000.000</hf298.15><T_range Thigh="1691.0" Tlow="1424.0"><a1>1.535768139e+08</a1><a2>0.000000000e+00</a2><a3>-1.699774473e+02</a3><a4>7.733123360e-02</a4><a5>3.585714680e-07</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>1.356828739e+05</b1><b2>1.185723820e+03</b2></T_range></specie><specie inp_file_name="CaF2(L)"><identification><InChIKey>WUKWITHWXAAZEY-UHFFFAOYSA-L</InChIKey><canonical_smiles>[F-].[F-].[Ca+2]</canonical_smiles><cas_number>7789-75-5</cas_number><IUPAC_name>calcium;difluoride</IUPAC_name></identification><comment>Liquid.Gurvich,1996a pt1 p461 pt2 p361.</comment><reference>tpis96</reference><elements><element Ca="1" /><element F="2" /></elements><condensed>True</condensed><molecular_weight>0.0780748064</molecular_weight><hf298.15>-1228000.000</hf298.15><T_range Thigh="6000.0" Tlow="1691.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.190689530e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.479539740e+05</b1><b2>-5.967665213e+01</b2></T_range></specie><specie inp_file_name="CaH2(a)"><identification><InChIKey>UUGAXJGDKREHIO-UHFFFAOYSA-N</InChIKey><canonical_smiles>[H-].[H-].[Ca+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>calcium;hydride</IUPAC_name></identification><comment>CrII,rhombic Gurvich,1996a pt1 p449 pt2 p354.</comment><reference>tpis96</reference><elements><element Ca="1" /><element H="2" /></elements><condensed>True</condensed><molecular_weight>0.04209388</molecular_weight><hf298.15>-177000.000</hf298.15><T_range Thigh="1053.0" Tlow="298.15"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>3.599731073e+00</a3><a4>4.465566822e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-2.255982511e+04</b1><b2>-1.686197756e+01</b2></T_range></specie><specie inp_file_name="CaH2(b)"><identification><InChIKey>UUGAXJGDKREHIO-UHFFFAOYSA-N</InChIKey><canonical_smiles>[H-].[H-].[Ca+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>calcium;hydride</IUPAC_name></identification><comment>CrI,cubic Gurvich,1996a pt1 p449 pt2 p354.</comment><reference>tpis96</reference><elements><element Ca="1" /><element H="2" /></elements><condensed>True</condensed><molecular_weight>0.04209388</molecular_weight><hf298.15>-177000.000</hf298.15><T_range Thigh="1273.0" Tlow="1053.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>8.298745206e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-2.422633646e+04</b1><b2>-4.409678633e+01</b2></T_range></specie><specie inp_file_name="CaH2(L)"><identification><InChIKey>UUGAXJGDKREHIO-UHFFFAOYSA-N</InChIKey><canonical_smiles>[H-].[H-].[Ca+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>calcium;hydride</IUPAC_name></identification><comment>Liquid Gurvich,1996a pt1 p449 pt2 p354.</comment><reference>tpis96</reference><elements><element Ca="1" /><element H="2" /></elements><condensed>True</condensed><molecular_weight>0.04209388</molecular_weight><hf298.15>-177000.000</hf298.15><T_range Thigh="6000.0" Tlow="1273.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>9.020375224e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-2.249899474e+04</b1><b2>-4.717727797e+01</b2></T_range></specie><specie inp_file_name="CaI2(cr)"><identification><InChIKey>UNMYWSMUMWPJLR-UHFFFAOYSA-L</InChIKey><canonical_smiles>[Ca+2].[I-].[I-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>calcium;diiodide</IUPAC_name></identification><comment>Hexagonal Gurvich,1996a pt1 p476 pt2 p371.</comment><reference>tpis96</reference><elements><element Ca="1" /><element I="2" /></elements><condensed>True</condensed><molecular_weight>0.29388694</molecular_weight><hf298.15>-536400.000</hf298.15><T_range Thigh="500.0" Tlow="200.0"><a1>-1.811328452e+06</a1><a2>3.127451814e+04</a2><a3>-2.136599007e+02</a3><a4>8.328705880e-01</a4><a5>-1.721725832e-03</a5><a6>1.878967812e-06</a6><a7>-8.440013400e-10</a7><b1>-2.101977983e+05</b1><b2>1.142802698e+03</b2></T_range><T_range Thigh="1056.0" Tlow="500.0"><a1>-6.638996165e+03</a1><a2>0.000000000e+00</a2><a3>8.652825001e+00</a3><a4>2.284560365e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-6.721736780e+04</b1><b2>-3.254333551e+01</b2></T_range></specie><specie inp_file_name="CaI2(L)"><identification><InChIKey>UNMYWSMUMWPJLR-UHFFFAOYSA-L</InChIKey><canonical_smiles>[Ca+2].[I-].[I-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>calcium;diiodide</IUPAC_name></identification><comment>Liquid Gurvich,1996a pt1 p476 pt2 p371.</comment><reference>tpis96</reference><elements><element Ca="1" /><element I="2" /></elements><condensed>True</condensed><molecular_weight>0.29388694</molecular_weight><hf298.15>-536400.000</hf298.15><T_range Thigh="6000.0" Tlow="1056.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.238798197e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-6.485425310e+04</b1><b2>-5.137218163e+01</b2></T_range></specie><specie inp_file_name="CaO(cr)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Cubic Gurvich,1996a pt1 p442 pt2 p348.</comment><reference>tpis96</reference><elements><element Ca="1" /><element O="1" /></elements><condensed>True</condensed><molecular_weight>0.0560774</molecular_weight><hf298.15>-634920.000</hf298.15><T_range Thigh="500.0" Tlow="200.0"><a1>-4.775526940e+06</a1><a2>9.037711420e+04</a2><a3>-6.944320810e+02</a3><a4>2.802477174e+00</a4><a5>-6.129403220e-03</a5><a6>6.982167800e-06</a6><a7>-3.247543840e-09</a7><b1>-4.829411430e+05</b1><b2>3.619046320e+03</b2></T_range><T_range Thigh="3172.0" Tlow="500.0"><a1>-1.459376440e+05</a1><a2>0.000000000e+00</a2><a3>7.174205094e+00</a3><a4>-1.959947129e-03</a4><a5>1.291116374e-06</a5><a6>-2.077091735e-10</a6><a7>0.000000000e+00</a7><b1>-7.891525080e+04</b1><b2>-3.658562837e+01</b2></T_range></specie><specie inp_file_name="CaO(L)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Liquid Gurvich,1996a pt1 p442 pt2 p348.</comment><reference>tpis96</reference><elements><element Ca="1" /><element O="1" /></elements><condensed>True</condensed><molecular_weight>0.0560774</molecular_weight><hf298.15>-634920.000</hf298.15><T_range Thigh="6000.0" Tlow="3172.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.010282025e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-7.991857230e+04</b1><b2>-5.908720013e+01</b2></T_range></specie><specie inp_file_name="Ca(OH)2(cr)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Hexagonal Gurvich,1996a pt1 p454 pt2 p357.</comment><reference>tpis96</reference><elements><element Ca="1" /><element O="2" /><element H="2" /></elements><condensed>True</condensed><molecular_weight>0.07409268000000001</molecular_weight><hf298.15>-985900.000</hf298.15><T_range Thigh="500.0" Tlow="100.0"><a1>-2.058838935e+05</a1><a2>6.172554490e+03</a2><a3>-7.499750990e+01</a3><a4>5.012182400e-01</a4><a5>-1.423348682e-03</a5><a6>1.994984415e-06</a6><a7>-1.095038067e-09</a7><b1>-1.452026205e+05</b1><b2>3.552445040e+02</b2></T_range><T_range Thigh="1023.0" Tlow="500.0"><a1>-1.245413139e+05</a1><a2>0.000000000e+00</a2><a3>1.073593032e+01</a3><a4>3.982435525e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.223707243e+05</b1><b2>-5.302395390e+01</b2></T_range></specie><specie inp_file_name="Ca(OH)2(L)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Liquid Gurvich,1996a pt1 p454 pt2 p357.</comment><reference>tpis96</reference><elements><element Ca="1" /><element O="2" /><element H="2" /></elements><condensed>True</condensed><molecular_weight>0.07409268000000001</molecular_weight><hf298.15>-985900.000</hf298.15><T_range Thigh="6000.0" Tlow="1023.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.840156546e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.245191822e+05</b1><b2>-9.860760364e+01</b2></T_range></specie><specie inp_file_name="CaS(cr)"><identification><InChIKey>AGVJBLHVMNHENQ-UHFFFAOYSA-N</InChIKey><canonical_smiles>[S-2].[Ca+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>calcium;sulfide</IUPAC_name></identification><comment>Cubic Gurvich,1996a pt1 p478 pt2 p373.</comment><reference>tpis96</reference><elements><element Ca="1" /><element S="1" /></elements><condensed>True</condensed><molecular_weight>0.072143</molecular_weight><hf298.15>-475000.000</hf298.15><T_range Thigh="500.0" Tlow="200.0"><a1>4.758681130e+06</a1><a2>-8.840702110e+04</a2><a3>6.675047510e+02</a3><a4>-2.576855161e+00</a4><a5>5.527281760e-03</a5><a6>-6.202901900e-06</a6><a7>2.852128154e-09</a7><b1>3.401344700e+05</b1><b2>-3.494344760e+03</b2></T_range><T_range Thigh="2800.0" Tlow="500.0"><a1>-1.428827435e+04</a1><a2>0.000000000e+00</a2><a3>5.567375588e+00</a3><a4>1.006673875e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-5.888163400e+04</b1><b2>-2.530572359e+01</b2></T_range></specie><specie inp_file_name="CaS(L)"><identification><InChIKey>AGVJBLHVMNHENQ-UHFFFAOYSA-N</InChIKey><canonical_smiles>[S-2].[Ca+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>calcium;sulfide</IUPAC_name></identification><comment>Liquid Gurvich,1996a pt1 p478 pt2 p373.</comment><reference>tpis96</reference><elements><element Ca="1" /><element S="1" /></elements><condensed>True</condensed><molecular_weight>0.072143</molecular_weight><hf298.15>-475000.000</hf298.15><T_range Thigh="6000.0" Tlow="2800.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>8.058201866e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-5.348566620e+04</b1><b2>-3.924995523e+01</b2></T_range></specie><specie inp_file_name="CaSO4(II)"><identification><InChIKey>OSGAYBCDTDRGGQ-UHFFFAOYSA-L</InChIKey><canonical_smiles>[O-]S(=O)(=O)[O-].[Ca+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>calcium;sulfate</IUPAC_name></identification><comment>Rhombic Gurvich,1996a pt1 p481 pt2 p375.</comment><reference>tpis96</reference><elements><element Ca="1" /><element S="1" /><element O="4" /></elements><condensed>True</condensed><molecular_weight>0.1361406</molecular_weight><hf298.15>-1434000.000</hf298.15><T_range Thigh="500.0" Tlow="200.0"><a1>-1.361977472e+07</a1><a2>2.584929291e+05</a2><a3>-1.984800641e+03</a3><a4>7.969448170e+00</a4><a5>-1.736805219e-02</a5><a6>1.974370111e-05</a6><a7>-9.168768090e-09</a7><b1>-1.334631522e+06</b1><b2>1.035139350e+04</b2></T_range><T_range Thigh="1473.0" Tlow="500.0"><a1>-2.983940124e+05</a1><a2>0.000000000e+00</a2><a3>1.359671225e+01</a3><a4>5.857230312e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.777846313e+05</b1><b2>-6.802481458e+01</b2></T_range></specie><specie inp_file_name="CaSO4(I)"><identification><InChIKey>OSGAYBCDTDRGGQ-UHFFFAOYSA-L</InChIKey><canonical_smiles>[O-]S(=O)(=O)[O-].[Ca+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>calcium;sulfate</IUPAC_name></identification><comment>Cubic Gurvich,1996a pt1 p481 pt2 p375.</comment><reference>tpis96</reference><elements><element Ca="1" /><element S="1" /><element O="4" /></elements><condensed>True</condensed><molecular_weight>0.1361406</molecular_weight><hf298.15>-1434000.000</hf298.15><T_range Thigh="1733.0" Tlow="1473.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.984482549e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.798298668e+05</b1><b2>-1.045004358e+02</b2></T_range></specie><specie inp_file_name="CaSO4(L)"><identification><InChIKey>OSGAYBCDTDRGGQ-UHFFFAOYSA-L</InChIKey><canonical_smiles>[O-]S(=O)(=O)[O-].[Ca+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>calcium;sulfate</IUPAC_name></identification><comment>Liquid Gurvich,1996a pt1 p481 pt2 p375.</comment><reference>tpis96</reference><elements><element Ca="1" /><element S="1" /><element O="4" /></elements><condensed>True</condensed><molecular_weight>0.1361406</molecular_weight><hf298.15>-1434000.000</hf298.15><T_range Thigh="6000.0" Tlow="1733.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.984482549e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.764622601e+05</b1><b2>-1.025572120e+02</b2></T_range></specie><specie inp_file_name="Cd(cr)"><identification><InChIKey>BDOSMKKIYDKNTQ-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Cd]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>cadmium</IUPAC_name></identification><comment>Crystal. Ref-Elm. Cox,1989 p223.</comment><reference>coda89</reference><elements><element Cd="1" /></elements><condensed>True</condensed><molecular_weight>0.112411</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="594.258" Tlow="100.0"><a1>1.375273221e+05</a1><a2>-3.221590070e+03</a2><a3>3.121905502e+01</a3><a4>-1.226136798e-01</a4><a5>2.838880568e-04</a5><a6>-3.286884020e-07</a6><a7>1.520469817e-10</a7><b1>1.302807037e+04</b1><b2>-1.551324136e+02</b2></T_range></specie><specie inp_file_name="Cd(L)"><identification><InChIKey>BDOSMKKIYDKNTQ-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Cd]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>cadmium</IUPAC_name></identification><comment>Liquid. Ref-Elm. Cox,1989 p223.</comment><reference>coda89</reference><elements><element Cd="1" /></elements><condensed>True</condensed><molecular_weight>0.112411</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="6000.0" Tlow="594.258"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>3.596122922e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-4.220394750e+02</b1><b2>-1.323298164e+01</b2></T_range></specie><specie inp_file_name="Co(a)"><identification><InChIKey>GUTLYIVDDKVIGB-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Co]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>cobalt</IUPAC_name></identification><comment>Alpha. Ref-Elm. Chase,1998 pp943-6.</comment><reference>j 9/67</reference><elements><element Co="1" /></elements><condensed>True</condensed><molecular_weight>0.0589332</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="500.0" Tlow="200.0"><a1>-8.651834510e+05</a1><a2>1.462135206e+04</a2><a3>-9.971089110e+01</a3><a4>3.794338600e-01</a4><a5>-7.800106350e-04</a5><a6>8.553583960e-07</a6><a7>-3.890151670e-10</a7><b1>-6.795963460e+04</b1><b2>5.306550210e+02</b2></T_range><T_range Thigh="700.1" Tlow="500.0"><a1>-9.877560740e+05</a1><a2>6.820602200e+03</a2><a3>-1.521637485e+01</a3><a4>2.234541680e-02</a4><a5>-9.019246600e-06</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-3.852839040e+04</b1><b2>1.014399403e+02</b2></T_range></specie><specie inp_file_name="Co(b)"><identification><InChIKey>GUTLYIVDDKVIGB-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Co]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>cobalt</IUPAC_name></identification><comment>Beta.Ref-Elm.Below Lambda trans. Chase,1998 pp943-6.</comment><reference>j 9/67</reference><elements><element Co="1" /></elements><condensed>True</condensed><molecular_weight>0.0589332</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="800.0" Tlow="700.1"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.125113886e+00</a3><a4>2.218475342e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-6.197709420e+02</b1><b2>-8.944546990e+00</b2></T_range><T_range Thigh="1394.0" Tlow="800.0"><a1>-1.576349295e+09</a1><a2>9.154318170e+06</a2><a3>-2.197967504e+04</a3><a4>2.793356668e+01</a4><a5>-1.980310380e-02</a5><a6>7.425124740e-06</a6><a7>-1.149433030e-09</a7><b1>-5.182198410e+07</b1><b2>1.399846247e+05</b2></T_range></specie><specie inp_file_name="Co(b)"><identification><InChIKey>GUTLYIVDDKVIGB-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Co]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>cobalt</IUPAC_name></identification><comment>Beta. Ref-Elm.Above Lambda trans. Chase,1998 pp943-6.</comment><reference>j 9/67</reference><elements><element Co="1" /></elements><condensed>True</condensed><molecular_weight>0.0589332</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="1400.0" Tlow="1394.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>3.070872109e+02</a3><a4>-2.155487195e-01</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-2.139292950e+05</b1><b2>-1.913104819e+03</b2></T_range><T_range Thigh="1768.0" Tlow="1400.0"><a1>1.648338062e+09</a1><a2>-4.036220190e+06</a2><a3>3.722685700e+03</a3><a4>-1.526326566e+00</a4><a5>2.354674115e-04</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>2.649010262e+07</b1><b2>-2.751466647e+04</b2></T_range></specie><specie inp_file_name="Co(L)"><identification><InChIKey>GUTLYIVDDKVIGB-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Co]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>cobalt</IUPAC_name></identification><comment>Liquid. Ref-Elm. Chase,1998 pp943-6.</comment><reference>j 9/67</reference><elements><element Co="1" /></elements><condensed>True</condensed><molecular_weight>0.0589332</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="6000.0" Tlow="1768.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>4.871122892e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.761381676e+02</b1><b2>-2.448402276e+01</b2></T_range></specie><specie inp_file_name="Cr(cr)"><identification><InChIKey>VYZAMTAEIAYCRO-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Cr]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>chromium</IUPAC_name></identification><comment>Below lambda trans. Ref-Elm. Chase,1998 pp959-62.</comment><reference>j 6/73</reference><elements><element Cr="1" /></elements><condensed>True</condensed><molecular_weight>0.051996099999999996</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="311.5" Tlow="200.0"><a1>8.051084050e+05</a1><a2>-1.339842819e+04</a2><a3>8.273507290e+01</a3><a4>-2.075857041e-01</a4><a5>2.008764131e-04</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>6.182357950e+04</b1><b2>-4.559971660e+02</b2></T_range></specie><specie inp_file_name="Cr(cr)"><identification><InChIKey>VYZAMTAEIAYCRO-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Cr]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>chromium</IUPAC_name></identification><comment>Above lambda trans. Ref-Elm. Chase,1998 pp959-62.</comment><reference>j 6/73</reference><elements><element Cr="1" /></elements><condensed>True</condensed><molecular_weight>0.051996099999999996</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="1000.0" Tlow="311.5"><a1>-2.534425357e+05</a1><a2>3.119404093e+03</a2><a3>-1.358439770e+01</a3><a4>4.323570220e-02</a4><a5>-5.624102820e-05</a5><a6>3.652910710e-08</a6><a7>-8.973298370e-12</a7><b1>-1.606559079e+04</b1><b2>7.858043710e+01</b2></T_range><T_range Thigh="2130.0" Tlow="1000.0"><a1>-3.005006418e+07</a1><a2>1.264410306e+05</a2><a3>-2.139399408e+02</a3><a4>1.937684814e-01</a4><a5>-9.423205780e-05</a5><a6>2.445139082e-08</a6><a7>-2.606793685e-12</a7><b1>-7.582388710e+05</b1><b2>1.441907828e+03</b2></T_range></specie><specie inp_file_name="Cr(L)"><identification><InChIKey>VYZAMTAEIAYCRO-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Cr]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>chromium</IUPAC_name></identification><comment>Liquid. Ref-Elm. Chase,1998 pp959-62.</comment><reference>j 6/73</reference><elements><element Cr="1" /></elements><condensed>True</condensed><molecular_weight>0.051996099999999996</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="6000.0" Tlow="2130.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>4.730284767e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>5.755633080e+02</b1><b2>-2.453179007e+01</b2></T_range></specie><specie inp_file_name="CrN(cr)"><identification><InChIKey>CXOWYMLTGOFURZ-UHFFFAOYSA-N</InChIKey><canonical_smiles>N#[Cr]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>azanylidynechromium</IUPAC_name></identification><comment>Chase,1998 p966.</comment><reference>j12/73</reference><elements><element Cr="1" /><element N="1" /></elements><condensed>True</condensed><molecular_weight>0.0660028</molecular_weight><hf298.15>-117152.000</hf298.15><T_range Thigh="298.15" Tlow="200.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>-1.314063090e+00</a3><a4>2.565693051e-02</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.483864491e+04</b1><b2>4.372952650e+00</b2></T_range><T_range Thigh="400.0" Tlow="298.15"><a1>1.223200207e+06</a1><a2>0.000000000e+00</a2><a3>-2.407090178e+01</a3><a4>5.583146740e-02</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-5.292218790e+03</b1><b2>1.319158541e+02</b2></T_range><T_range Thigh="2500.0" Tlow="400.0"><a1>-2.661907798e+05</a1><a2>1.615547039e+03</a2><a3>1.892576742e+00</a3><a4>4.987173370e-03</a4><a5>-2.514705667e-06</a5><a6>7.617792270e-10</a6><a7>-9.124276740e-14</a7><b1>-2.496407842e+04</b1><b2>-3.735659490e+00</b2></T_range></specie><specie inp_file_name="Cr2N(cr)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Chase,1998 p971.</comment><reference>j12/73</reference><elements><element Cr="2" /><element N="1" /></elements><condensed>True</condensed><molecular_weight>0.1179989</molecular_weight><hf298.15>-125520.000</hf298.15><T_range Thigh="700.0" Tlow="298.15"><a1>5.676714650e+06</a1><a2>-6.561919460e+04</a2><a3>2.971622148e+02</a3><a4>-6.132148300e-01</a4><a5>6.373067250e-04</a5><a6>-2.569754132e-07</a6><a7>0.000000000e+00</a7><b1>3.113488256e+05</b1><b2>-1.716694497e+03</b2></T_range><T_range Thigh="1500.0" Tlow="700.0"><a1>8.246680410e+05</a1><a2>-1.965549089e+03</a2><a3>5.659967790e+00</a3><a4>1.366241998e-02</a4><a5>-1.241835551e-05</a5><a6>6.313550760e-09</a6><a7>-1.192405400e-12</a7><b1>-3.594772610e+03</b1><b2>-3.071970867e+01</b2></T_range><T_range Thigh="2500.0" Tlow="1500.0"><a1>4.325258320e+09</a1><a2>-1.355254539e+07</a2><a3>1.757503878e+04</a3><a4>-1.205560629e+01</a4><a5>4.623646210e-03</a5><a6>-9.389890050e-07</a6><a7>7.891119490e-11</a7><b1>8.506076540e+07</b1><b2>-1.227417790e+05</b2></T_range></specie><specie inp_file_name="Cr2O3(I')"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Hexagonal. Gurvich,1982 pt1 p18 pt2 p22.</comment><reference>tpis82</reference><elements><element Cr="2" /><element O="3" /></elements><condensed>True</condensed><molecular_weight>0.1519904</molecular_weight><hf298.15>-1140600.000</hf298.15><T_range Thigh="306.0" Tlow="200.0"><a1>-2.112979833e+06</a1><a2>0.000000000e+00</a2><a3>2.207431906e+02</a3><a4>-1.164973854e+00</a4><a5>1.853971249e-03</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.746831159e+05</b1><b2>-9.949025210e+02</b2></T_range></specie><specie inp_file_name="Cr2O3(I)"><identification><InChIKey>QDOXWKRWXJOMAK-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[Cr]O[Cr]=O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>oxo(oxochromiooxy)chromium</IUPAC_name></identification><comment>Hexagonal. Gurvich,1982 pt1 p18 pt2 p22.</comment><reference>tpis82</reference><elements><element Cr="2" /><element O="3" /></elements><condensed>True</condensed><molecular_weight>0.1519904</molecular_weight><hf298.15>-1140600.000</hf298.15><T_range Thigh="310.0" Tlow="306.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>6.705915562e+03</a3><a4>-4.303760534e+01</a4><a5>6.919229155e-02</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-8.349875160e+05</b1><b2>-2.844167579e+04</b2></T_range></specie><specie inp_file_name="Cr2O3(I)"><identification><InChIKey>QDOXWKRWXJOMAK-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[Cr]O[Cr]=O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>oxo(oxochromiooxy)chromium</IUPAC_name></identification><comment>Hexagonal. Gurvich,1982 pt1 p18 pt2 p22.</comment><reference>tpis82</reference><elements><element Cr="2" /><element O="3" /></elements><condensed>True</condensed><molecular_weight>0.1519904</molecular_weight><hf298.15>-1140600.000</hf298.15><T_range Thigh="335.0" Tlow="310.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.443570337e+02</a3><a4>-1.399445548e+00</a4><a5>2.113509996e-03</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.665032895e+05</b1><b2>-1.059172219e+03</b2></T_range></specie><specie inp_file_name="Cr2O3(I)"><identification><InChIKey>QDOXWKRWXJOMAK-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[Cr]O[Cr]=O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>oxo(oxochromiooxy)chromium</IUPAC_name></identification><comment>Hexagonal. Gurvich,1982 pt1 p18 pt2 p22.</comment><reference>tpis82</reference><elements><element Cr="2" /><element O="3" /></elements><condensed>True</condensed><molecular_weight>0.1519904</molecular_weight><hf298.15>-1140600.000</hf298.15><T_range Thigh="2705.0" Tlow="335.0"><a1>-3.415474875e+05</a1><a2>0.000000000e+00</a2><a3>1.616932327e+01</a3><a4>-1.517828471e-03</a4><a5>1.014852348e-06</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.430478214e+05</b1><b2>-8.374919535e+01</b2></T_range></specie><specie inp_file_name="Cr2O3(L)"><identification><InChIKey>QDOXWKRWXJOMAK-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[Cr]O[Cr]=O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>oxo(oxochromiooxy)chromium</IUPAC_name></identification><comment>Liquid. Gurvich,1982 pt1 p18 pt2 p22.</comment><reference>tpis82</reference><elements><element Cr="2" /><element O="3" /></elements><condensed>True</condensed><molecular_weight>0.1519904</molecular_weight><hf298.15>-1140600.000</hf298.15><T_range Thigh="6000.0" Tlow="2705.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.044618384e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.383139935e+05</b1><b2>-1.123603099e+02</b2></T_range></specie><specie inp_file_name="Cs(cr)"><identification><InChIKey>TVFDJXOCXUVLDH-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Cs]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>cesium</IUPAC_name></identification><comment>Crystal. Ref-Elm. Cox,1989 p263.</comment><reference>coda89</reference><elements><element Cs="1" /></elements><condensed>True</condensed><molecular_weight>0.13290545</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="301.59" Tlow="100.0"><a1>6.519841350e+04</a1><a2>-1.756639077e+03</a2><a3>1.999681093e+01</a3><a4>-6.938328820e-02</a4><a5>1.093682552e-04</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>6.382890840e+03</b1><b2>-9.338251570e+01</b2></T_range></specie><specie inp_file_name="Cs(L)"><identification><InChIKey>TVFDJXOCXUVLDH-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Cs]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>cesium</IUPAC_name></identification><comment>Liquid. Ref-Elm. Cox,1989 p263.</comment><reference>coda89</reference><elements><element Cs="1" /></elements><condensed>True</condensed><molecular_weight>0.13290545</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="1000.0" Tlow="301.59"><a1>-4.218078030e+04</a1><a2>-1.745861711e+01</a2><a3>5.702246950e+00</a3><a4>-5.113948550e-03</a4><a5>3.201752440e-06</a5><a6>-1.767959558e-10</a6><a7>4.827862700e-14</a7><b1>-1.290810964e+03</b1><b2>-2.031478114e+01</b2></T_range><T_range Thigh="2000.0" Tlow="1000.0"><a1>-7.255372990e+05</a1><a2>3.001930225e+03</a2><a3>1.782289032e-01</a3><a4>2.832281079e-04</a4><a5>1.810515176e-07</a5><a6>7.718855550e-10</a6><a7>-8.889289510e-14</a7><b1>-1.920877274e+04</b1><b2>1.635273378e+01</b2></T_range></specie><specie inp_file_name="CsBO2(cr)"><identification><InChIKey>ACPSIPROFDGOGE-UHFFFAOYSA-N</InChIKey><canonical_smiles>B(=O)[O-].[Cs+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>cesium;oxido(oxo)borane</IUPAC_name></identification><comment>Cubic. Gurvich,1982 pt1 p504 pt2 p525.</comment><reference>tpis82</reference><elements><element Cs="1" /><element B="1" /><element O="2" /></elements><condensed>True</condensed><molecular_weight>0.17571525</molecular_weight><hf298.15>-962000.000</hf298.15><T_range Thigh="500.0" Tlow="200.0"><a1>1.241529552e+07</a1><a2>-2.256720327e+05</a2><a3>1.662515290e+03</a3><a4>-6.320716230e+00</a4><a5>1.337407484e-02</a5><a6>-1.484168930e-05</a6><a7>6.761667750e-09</a7><b1>9.049643320e+05</b1><b2>-8.739017110e+03</b2></T_range><T_range Thigh="1005.0" Tlow="500.0"><a1>-1.344267330e+05</a1><a2>0.000000000e+00</a2><a3>1.014162565e+01</a3><a4>3.564309650e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.193344436e+05</b1><b2>-4.705131010e+01</b2></T_range></specie><specie inp_file_name="CsBO2(L)"><identification><InChIKey>ACPSIPROFDGOGE-UHFFFAOYSA-N</InChIKey><canonical_smiles>B(=O)[O-].[Cs+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>cesium;oxido(oxo)borane</IUPAC_name></identification><comment>Liquid. Gurvich,1982 pt1 p504 pt2 p525.</comment><reference>tpis82</reference><elements><element Cs="1" /><element B="1" /><element O="2" /></elements><condensed>True</condensed><molecular_weight>0.17571525</molecular_weight><hf298.15>-962000.000</hf298.15><T_range Thigh="6000.0" Tlow="1005.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.743939210e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.214875849e+05</b1><b2>-9.061903610e+01</b2></T_range></specie><specie inp_file_name="CsBr(cr)"><identification><InChIKey>LYQFWZFBNBDLEO-UHFFFAOYSA-M</InChIKey><canonical_smiles>[Br-].[Cs+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>cesium;bromide</IUPAC_name></identification><comment>Cubic. Gurvich,1982 pt1 p488 pt2 p511.</comment><reference>tpis82</reference><elements><element Cs="1" /><element Br="1" /></elements><condensed>True</condensed><molecular_weight>0.21280945</molecular_weight><hf298.15>-405600.000</hf298.15><T_range Thigh="500.0" Tlow="200.0"><a1>8.214717410e+05</a1><a2>-1.533809444e+04</a2><a3>1.213999610e+02</a3><a4>-4.502622350e-01</a4><a5>9.722874060e-04</a5><a6>-1.094185412e-06</a6><a7>5.042592550e-10</a7><b1>1.851486523e+04</b1><b2>-6.252270680e+02</b2></T_range><T_range Thigh="910.0" Tlow="500.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>5.882254010e+00</a3><a4>1.622332026e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-5.060809300e+04</b1><b2>-2.041491096e+01</b2></T_range></specie><specie inp_file_name="CsBr(L)"><identification><InChIKey>LYQFWZFBNBDLEO-UHFFFAOYSA-M</InChIKey><canonical_smiles>[Br-].[Cs+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>cesium;bromide</IUPAC_name></identification><comment>Liquid. Gurvich,1982 pt1 p488 pt2 p511.</comment><reference>tpis82</reference><elements><element Cs="1" /><element Br="1" /></elements><condensed>True</condensed><molecular_weight>0.21280945</molecular_weight><hf298.15>-405600.000</hf298.15><T_range Thigh="6000.0" Tlow="910.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>9.020375224e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-4.995364530e+04</b1><b2>-3.720087044e+01</b2></T_range></specie><specie inp_file_name="CsCl(a)"><identification><InChIKey>AIYUHDOJVYHVIT-UHFFFAOYSA-M</InChIKey><canonical_smiles>[Cl-].[Cs+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>cesium;chloride</IUPAC_name></identification><comment>Cubic. Gurvich,1982 pt1 p485 pt2 p508.</comment><reference>tpis82</reference><elements><element Cs="1" /><element Cl="1" /></elements><condensed>True</condensed><molecular_weight>0.16835845</molecular_weight><hf298.15>-442310.000</hf298.15><T_range Thigh="500.0" Tlow="200.0"><a1>-1.703772998e+06</a1><a2>3.247452440e+04</a2><a3>-2.455466631e+02</a3><a4>1.009178034e+00</a4><a5>-2.207551915e-03</a5><a6>2.517334138e-06</a6><a7>-1.172381667e-09</a7><b1>-2.005014179e+05</b1><b2>1.287839193e+03</b2></T_range><T_range Thigh="743.0" Tlow="500.0"><a1>-3.937950690e+04</a1><a2>0.000000000e+00</a2><a3>6.626999920e+00</a3><a4>4.235262420e-04</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-5.532407590e+04</b1><b2>-2.593783387e+01</b2></T_range></specie><specie inp_file_name="CsCl(b)"><identification><InChIKey>AIYUHDOJVYHVIT-UHFFFAOYSA-M</InChIKey><canonical_smiles>[Cl-].[Cs+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>cesium;chloride</IUPAC_name></identification><comment>Cubic. Gurvich,1982 pt1 p485 pt2 p508.</comment><reference>tpis82</reference><elements><element Cs="1" /><element Cl="1" /></elements><condensed>True</condensed><molecular_weight>0.16835845</molecular_weight><hf298.15>-442310.000</hf298.15><T_range Thigh="919.0" Tlow="743.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>7.841712861e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-5.570430740e+04</b1><b2>-3.314329722e+01</b2></T_range></specie><specie inp_file_name="CsCl(L)"><identification><InChIKey>AIYUHDOJVYHVIT-UHFFFAOYSA-M</InChIKey><canonical_smiles>[Cl-].[Cs+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>cesium;chloride</IUPAC_name></identification><comment>Liquid. Gurvich,1982 pt1 p485 pt2 p508.</comment><reference>tpis82</reference><elements><element Cs="1" /><element Cl="1" /></elements><condensed>True</condensed><molecular_weight>0.16835845</molecular_weight><hf298.15>-442310.000</hf298.15><T_range Thigh="6000.0" Tlow="919.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>8.839967719e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-5.417056700e+04</b1><b2>-3.728749769e+01</b2></T_range></specie><specie inp_file_name="CsF(cr)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Cubic. Gurvich,1982 pt1 p481 pt2 p505.</comment><reference>tpis82</reference><elements><element Cs="1" /><element F="1" /></elements><condensed>True</condensed><molecular_weight>0.1519038532</molecular_weight><hf298.15>-557100.000</hf298.15><T_range Thigh="500.0" Tlow="200.0"><a1>-2.453746682e+06</a1><a2>4.440981600e+04</a2><a3>-3.216355300e+02</a3><a4>1.258524529e+00</a4><a5>-2.661147803e-03</a5><a6>2.959315715e-06</a6><a7>-1.350383298e-09</a7><b1>-2.700040022e+05</b1><b2>1.698453355e+03</b2></T_range><T_range Thigh="976.0" Tlow="500.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>5.088206230e+00</a3><a4>3.543462080e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-6.867788740e+04</b1><b2>-1.886662026e+01</b2></T_range></specie><specie inp_file_name="CsF(L)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Liquid. Gurvich,1982 pt1 p481 pt2 p505.</comment><reference>tpis82</reference><elements><element Cs="1" /><element F="1" /></elements><condensed>True</condensed><molecular_weight>0.1519038532</molecular_weight><hf298.15>-557100.000</hf298.15><T_range Thigh="6000.0" Tlow="976.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>8.659560215e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-6.786592520e+04</b1><b2>-3.731740982e+01</b2></T_range></specie><specie inp_file_name="CsH(cr)"><identification><InChIKey>HXCOCQWMKNUQSA-UHFFFAOYSA-N</InChIKey><canonical_smiles>[H-].[Cs+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>cesium;hydride</IUPAC_name></identification><comment>Cubic. Gurvich,1982 pt1 p476 pt2 p500.</comment><reference>tpis82</reference><elements><element Cs="1" /><element H="1" /></elements><condensed>True</condensed><molecular_weight>0.13391339</molecular_weight><hf298.15>-54040.000</hf298.15><T_range Thigh="801.0" Tlow="298.15"><a1>-5.041788392e+04</a1><a2>0.000000000e+00</a2><a3>4.142517118e+00</a3><a4>4.385946977e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-8.098615840e+03</b1><b2>-1.641381626e+01</b2></T_range></specie><specie inp_file_name="CsH(L)"><identification><InChIKey>HXCOCQWMKNUQSA-UHFFFAOYSA-N</InChIKey><canonical_smiles>[H-].[Cs+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>cesium;hydride</IUPAC_name></identification><comment>Liquid. Gurvich,1982 pt1 p476 pt2 p500.</comment><reference>tpis82</reference><elements><element Cs="1" /><element H="1" /></elements><condensed>True</condensed><molecular_weight>0.13391339</molecular_weight><hf298.15>-54040.000</hf298.15><T_range Thigh="6000.0" Tlow="801.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>6.735213500e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-6.901332940e+03</b1><b2>-2.794351109e+01</b2></T_range></specie><specie inp_file_name="CsI(cr)"><identification><InChIKey>XQPRBTXUXXVTKB-UHFFFAOYSA-M</InChIKey><canonical_smiles>[I-].[Cs+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>cesium;iodide</IUPAC_name></identification><comment>Cubic. Gurvich,1982 pt1 p492 pt2 p514.</comment><reference>tpis82</reference><elements><element Cs="1" /><element I="1" /></elements><condensed>True</condensed><molecular_weight>0.25980991999999997</molecular_weight><hf298.15>-348100.000</hf298.15><T_range Thigh="500.0" Tlow="200.0"><a1>1.754014150e+06</a1><a2>-3.232916500e+04</a2><a3>2.467159187e+02</a3><a4>-9.287377130e-01</a4><a5>1.973235969e-03</a5><a6>-2.193580686e-06</a6><a7>1.003390730e-09</a7><b1>1.023639971e+05</b1><b2>-1.282961001e+03</b2></T_range><T_range Thigh="905.0" Tlow="500.0"><a1>-1.690343843e+04</a1><a2>0.000000000e+00</a2><a3>7.346625000e+00</a3><a4>-4.804073480e-03</a4><a5>6.604565720e-06</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-4.395851780e+04</b1><b2>-2.611726446e+01</b2></T_range></specie><specie inp_file_name="CsI(L)"><identification><InChIKey>XQPRBTXUXXVTKB-UHFFFAOYSA-M</InChIKey><canonical_smiles>[I-].[Cs+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>cesium;iodide</IUPAC_name></identification><comment>Liquid. Gurvich,1982 pt1 p492 pt2 p514.</comment><reference>tpis82</reference><elements><element Cs="1" /><element I="1" /></elements><condensed>True</condensed><molecular_weight>0.25980991999999997</molecular_weight><hf298.15>-348100.000</hf298.15><T_range Thigh="6000.0" Tlow="905.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>8.539288545e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-4.226975350e+04</b1><b2>-3.246075054e+01</b2></T_range></specie><specie inp_file_name="CsNO2(I)"><identification><InChIKey>AJAFRMGZWFDZAS-UHFFFAOYSA-M</InChIKey><canonical_smiles>N(=O)[O-].[Cs+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>cesium;nitrite</IUPAC_name></identification><comment>Cubic. Gurvich,1982 pt1 p498 pt2 p519.</comment><reference>tpis82</reference><elements><element Cs="1" /><element N="1" /><element O="2" /></elements><condensed>True</condensed><molecular_weight>0.17891095</molecular_weight><hf298.15>-379900.000</hf298.15><T_range Thigh="679.0" Tlow="298.15"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.151300558e+01</a3><a4>-3.537430348e-03</a4><a5>5.931437932e-06</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-4.901898420e+04</b1><b2>-4.387814029e+01</b2></T_range></specie><specie inp_file_name="CsNO2(L)"><identification><InChIKey>AJAFRMGZWFDZAS-UHFFFAOYSA-M</InChIKey><canonical_smiles>N(=O)[O-].[Cs+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>cesium;nitrite</IUPAC_name></identification><comment>Liquid. Gurvich,1982 pt1 p498 pt2 p519.</comment><reference>tpis82</reference><elements><element Cs="1" /><element N="1" /><element O="2" /></elements><condensed>True</condensed><molecular_weight>0.17891095</molecular_weight><hf298.15>-379900.000</hf298.15><T_range Thigh="6000.0" Tlow="679.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.274879698e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-4.874363630e+04</b1><b2>-5.104014160e+01</b2></T_range></specie><specie inp_file_name="CsNO3(a)"><identification><InChIKey>NLSCHDZTHVNDCP-UHFFFAOYSA-N</InChIKey><canonical_smiles>[N+](=O)([O-])[O-].[Cs+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>cesium;nitrate</IUPAC_name></identification><comment>Hexagonal. Gurvich,1982 pt1 p500 pt2 p521.</comment><reference>tpis82</reference><elements><element Cs="1" /><element N="1" /><element O="3" /></elements><condensed>True</condensed><molecular_weight>0.19491034999999998</molecular_weight><hf298.15>-505000.000</hf298.15><T_range Thigh="427.0" Tlow="200.0"><a1>-3.246405120e+06</a1><a2>5.377946540e+04</a2><a3>-3.399293910e+02</a3><a4>1.103526542e+00</a4><a5>-1.665374892e-03</a5><a6>1.005891643e-06</a6><a7>0.000000000e+00</a7><b1>-3.130119262e+05</b1><b2>1.853516509e+03</b2></T_range></specie><specie inp_file_name="CsNO3(b)"><identification><InChIKey>NLSCHDZTHVNDCP-UHFFFAOYSA-N</InChIKey><canonical_smiles>[N+](=O)([O-])[O-].[Cs+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>cesium;nitrate</IUPAC_name></identification><comment>Cubic. Gurvich,1982 pt1 p500 pt2 p521.</comment><reference>tpis82</reference><elements><element Cs="1" /><element N="1" /><element O="3" /></elements><condensed>True</condensed><molecular_weight>0.19491034999999998</molecular_weight><hf298.15>-505000.000</hf298.15><T_range Thigh="682.0" Tlow="427.0"><a1>-8.675315803e+05</a1><a2>0.000000000e+00</a2><a3>2.211459244e+01</a3><a4>-4.596061584e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-6.970758310e+04</b1><b2>-1.102656798e+02</b2></T_range></specie><specie inp_file_name="CsNO3(L)"><identification><InChIKey>NLSCHDZTHVNDCP-UHFFFAOYSA-N</InChIKey><canonical_smiles>[N+](=O)([O-])[O-].[Cs+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>cesium;nitrate</IUPAC_name></identification><comment>Cubic. Gurvich,1982 pt1 p500 pt2 p521.</comment><reference>tpis82</reference><elements><element Cs="1" /><element N="1" /><element O="3" /></elements><condensed>True</condensed><molecular_weight>0.19491034999999998</molecular_weight><hf298.15>-505000.000</hf298.15><T_range Thigh="6000.0" Tlow="682.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.804075045e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-6.506630270e+04</b1><b2>-8.345202339e+01</b2></T_range></specie><specie inp_file_name="CsOH(b)"><identification><InChIKey>HUCVOHYBFXVBRW-UHFFFAOYSA-M</InChIKey><canonical_smiles>[OH-].[Cs+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>cesium;hydroxide</IUPAC_name></identification><comment>Beta. Gurvich,1997.</comment><reference>g 8/97</reference><elements><element Cs="1" /><element O="1" /><element H="1" /></elements><condensed>True</condensed><molecular_weight>0.14991279</molecular_weight><hf298.15>-416200.000</hf298.15><T_range Thigh="298.15" Tlow="100.0"><a1>-1.070491244e+06</a1><a2>2.726790967e+04</a2><a3>-2.447999195e+02</a3><a4>9.717566950e-01</a4><a5>-1.304183626e-03</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.676915176e+05</b1><b2>1.260979156e+03</b2></T_range><T_range Thigh="498.2" Tlow="298.15"><a1>2.988510447e+05</a1><a2>0.000000000e+00</a2><a3>-5.599488124e+00</a3><a4>4.758933479e-02</a4><a5>-3.982976748e-05</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-4.914854260e+04</b1><b2>3.370083195e+01</b2></T_range></specie><specie inp_file_name="CsOH(c)"><identification><InChIKey>HUCVOHYBFXVBRW-UHFFFAOYSA-M</InChIKey><canonical_smiles>[OH-].[Cs+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>cesium;hydroxide</IUPAC_name></identification><comment>Gamma. Gurvich,1997.</comment><reference>g 8/97</reference><elements><element Cs="1" /><element O="1" /><element H="1" /></elements><condensed>True</condensed><molecular_weight>0.14991279</molecular_weight><hf298.15>-416200.000</hf298.15><T_range Thigh="615.5" Tlow="498.2"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>8.743750383e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-5.198053970e+04</b1><b2>-3.591737929e+01</b2></T_range></specie><specie inp_file_name="CsOH(L)"><identification><InChIKey>HUCVOHYBFXVBRW-UHFFFAOYSA-M</InChIKey><canonical_smiles>[OH-].[Cs+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>cesium;hydroxide</IUPAC_name></identification><comment>Liquid. Gurvich,1997.</comment><reference>g 8/97</reference><elements><element Cs="1" /><element O="1" /><element H="1" /></elements><condensed>True</condensed><molecular_weight>0.14991279</molecular_weight><hf298.15>-416200.000</hf298.15><T_range Thigh="6000.0" Tlow="615.5"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.022309192e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-5.195536080e+04</b1><b2>-4.389810453e+01</b2></T_range></specie><specie inp_file_name="CsO2(a)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Tetragonal. Gurvich,1982 pt1 p472 pt2 p494.</comment><reference>tpis82</reference><elements><element Cs="1" /><element O="2" /></elements><condensed>True</condensed><molecular_weight>0.16490425</molecular_weight><hf298.15>-286100.000</hf298.15><T_range Thigh="403.0" Tlow="298.15"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>6.423469330e+00</a3><a4>1.032375931e-02</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-3.678373920e+04</b1><b2>-2.259778952e+01</b2></T_range></specie><specie inp_file_name="CsO2(c)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Cubic. Gurvich,1982 pt1 p472 pt2 p494.</comment><reference>tpis82</reference><elements><element Cs="1" /><element O="2" /></elements><condensed>True</condensed><molecular_weight>0.16490425</molecular_weight><hf298.15>-286100.000</hf298.15><T_range Thigh="723.0" Tlow="403.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.058390693e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-3.762205990e+04</b1><b2>-4.339551574e+01</b2></T_range></specie><specie inp_file_name="CsO2(L)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Liquid. Gurvich,1982 pt1 p472 pt2 p494.</comment><reference>tpis82</reference><elements><element Cs="1" /><element O="2" /></elements><condensed>True</condensed><molecular_weight>0.16490425</molecular_weight><hf298.15>-286100.000</hf298.15><T_range Thigh="6000.0" Tlow="723.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.202716696e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-3.645253810e+04</b1><b2>-4.983623140e+01</b2></T_range></specie><specie inp_file_name="Cs2CO3(cr)"><identification><InChIKey>FJDQFPXHSGXQBY-UHFFFAOYSA-L</InChIKey><canonical_smiles>C(=O)([O-])[O-].[Cs+].[Cs+]</canonical_smiles><cas_number>534-17-8</cas_number><IUPAC_name>dicesium;carbonate</IUPAC_name></identification><comment>Gurvich,1982 pt1 p502 pt2 p523.</comment><reference>tpis82</reference><elements><element Cs="2" /><element C="1" /><element O="3" /></elements><condensed>True</condensed><molecular_weight>0.3258198</molecular_weight><hf298.15>-1134900.000</hf298.15><T_range Thigh="500.0" Tlow="200.0"><a1>-2.861109977e+06</a1><a2>6.041289230e+04</a2><a3>-5.002404530e+02</a3><a4>2.198717904e+00</a4><a5>-5.002265900e-03</a5><a6>5.885981300e-06</a6><a7>-2.807201102e-09</a7><b1>-4.049923380e+05</b1><b2>2.581625553e+03</b2></T_range><T_range Thigh="1066.0" Tlow="500.0"><a1>-2.194678436e+05</a1><a2>0.000000000e+00</a2><a3>1.478581229e+01</a3><a4>8.646042770e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.420250493e+05</b1><b2>-6.346394980e+01</b2></T_range></specie><specie inp_file_name="Cs2CO3(L)"><identification><InChIKey>FJDQFPXHSGXQBY-UHFFFAOYSA-L</InChIKey><canonical_smiles>C(=O)([O-])[O-].[Cs+].[Cs+]</canonical_smiles><cas_number>534-17-8</cas_number><IUPAC_name>dicesium;carbonate</IUPAC_name></identification><comment>Liquid. Gurvich,1982 pt1 502 pt2 p523.</comment><reference>tpis82</reference><elements><element Cs="2" /><element C="1" /><element O="3" /></elements><condensed>True</condensed><molecular_weight>0.3258198</molecular_weight><hf298.15>-1134900.000</hf298.15><T_range Thigh="6000.0" Tlow="1066.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.465569228e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.436995486e+05</b1><b2>-1.194626528e+02</b2></T_range></specie><specie inp_file_name="Cs2O(cr)"><identification><InChIKey>AKUNKIJLSDQFLS-UHFFFAOYSA-M</InChIKey><canonical_smiles>[OH-].[Cs+].[Cs+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dicesium;hydroxide</IUPAC_name></identification><comment>Hexagonal. Gurvich,1982 pt1 p472 pt2 p495.</comment><reference>tpis82</reference><elements><element Cs="2" /><element O="1" /></elements><condensed>True</condensed><molecular_weight>0.28181029999999996</molecular_weight><hf298.15>-346400.000</hf298.15><T_range Thigh="500.0" Tlow="200.0"><a1>-5.627068090e+05</a1><a2>9.379197410e+03</a2><a3>-5.661406600e+01</a3><a4>2.388479040e-01</a4><a5>-4.761089540e-04</a5><a6>5.101511920e-07</a6><a7>-2.256975084e-10</a7><b1>-8.742010290e+04</b1><b2>3.144128417e+02</b2></T_range><T_range Thigh="768.0" Tlow="500.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>7.940814720e+00</a3><a4>4.024410190e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-4.420852680e+04</b1><b2>-2.877552024e+01</b2></T_range></specie><specie inp_file_name="Cs2O(L)"><identification><InChIKey>AKUNKIJLSDQFLS-UHFFFAOYSA-M</InChIKey><canonical_smiles>[OH-].[Cs+].[Cs+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dicesium;hydroxide</IUPAC_name></identification><comment>Liquid. Gurvich,1982 pt1 p472 pt2 p495.</comment><reference>tpis82</reference><elements><element Cs="2" /><element O="1" /></elements><condensed>True</condensed><molecular_weight>0.28181029999999996</molecular_weight><hf298.15>-346400.000</hf298.15><T_range Thigh="6000.0" Tlow="768.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.202716696e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-4.375456510e+04</b1><b2>-4.970156357e+01</b2></T_range></specie><specie inp_file_name="Cs2O2(cr)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Rhombic Gurvich,1982 pt1 p475 pt2 p498.</comment><reference>tpis82</reference><elements><element Cs="2" /><element O="2" /></elements><condensed>True</condensed><molecular_weight>0.2978097</molecular_weight><hf298.15>-440000.000</hf298.15><T_range Thigh="867.0" Tlow="298.15"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.003895599e+01</a3><a4>4.651506824e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-5.611939360e+04</b1><b2>-3.693586892e+01</b2></T_range></specie><specie inp_file_name="Cs2O2(L)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Liquid. Gurvich,1982 pt1 p475 pt2 p498.</comment><reference>tpis82</reference><elements><element Cs="2" /><element O="2" /></elements><condensed>True</condensed><molecular_weight>0.2978097</molecular_weight><hf298.15>-440000.000</hf298.15><T_range Thigh="6000.0" Tlow="867.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.611640373e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-5.699432080e+04</b1><b2>-7.096530706e+01</b2></T_range></specie><specie inp_file_name="Cs2SO4(a)"><identification><InChIKey>FLJPGEWQYJVDPF-UHFFFAOYSA-L</InChIKey><canonical_smiles>[O-]S(=O)(=O)[O-].[Cs+].[Cs+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dicesium;sulfate</IUPAC_name></identification><comment>Rhombohedral. Gurvich,1982 pt1 p496 pt2 p517.</comment><reference>tpis82</reference><elements><element Cs="2" /><element S="1" /><element O="4" /></elements><condensed>True</condensed><molecular_weight>0.36187349999999996</molecular_weight><hf298.15>-1442900.000</hf298.15><T_range Thigh="500.0" Tlow="200.0"><a1>-9.607719290e+06</a1><a2>1.823999086e+05</a2><a3>-1.398882747e+03</a3><a4>5.671901780e+00</a4><a5>-1.240281336e-02</a5><a6>1.414114808e-05</a6><a7>-6.571017390e-09</a7><b1>-9.952928170e+05</b1><b2>7.301725680e+03</b2></T_range><T_range Thigh="920.0" Tlow="500.0"><a1>-2.673923999e+05</a1><a2>0.000000000e+00</a2><a3>1.731761674e+01</a3><a4>9.163180750e-03</a4><a5>-1.678705593e-05</a5><a6>2.444634119e-08</a6><a7>0.000000000e+00</a7><b1>-1.799058942e+05</b1><b2>-7.688396220e+01</b2></T_range></specie><specie inp_file_name="Cs2SO4(b)"><identification><InChIKey>FLJPGEWQYJVDPF-UHFFFAOYSA-L</InChIKey><canonical_smiles>[O-]S(=O)(=O)[O-].[Cs+].[Cs+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dicesium;sulfate</IUPAC_name></identification><comment>Gurvich,1982 pt1 p496 pt2 p517.</comment><reference>tpis82</reference><elements><element Cs="2" /><element S="1" /><element O="4" /></elements><condensed>True</condensed><molecular_weight>0.36187349999999996</molecular_weight><hf298.15>-1442900.000</hf298.15><T_range Thigh="1000.0" Tlow="920.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>-2.345297558e+01</a3><a4>5.324523033e-02</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.607408251e+05</b1><b2>1.601933430e+02</b2></T_range></specie><specie inp_file_name="Cs2SO4(c)"><identification><InChIKey>FLJPGEWQYJVDPF-UHFFFAOYSA-L</InChIKey><canonical_smiles>[O-]S(=O)(=O)[O-].[Cs+].[Cs+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dicesium;sulfate</IUPAC_name></identification><comment>Hexagonal. Gurvich,1982 pt1 p496 pt2 p517.</comment><reference>tpis82</reference><elements><element Cs="2" /><element S="1" /><element O="4" /></elements><condensed>True</condensed><molecular_weight>0.36187349999999996</molecular_weight><hf298.15>-1442900.000</hf298.15><T_range Thigh="1288.0" Tlow="1000.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.021611616e+01</a3><a4>1.412157782e-02</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.748480906e+05</b1><b2>-3.326085070e+01</b2></T_range></specie><specie inp_file_name="Cs2SO4(L)"><identification><InChIKey>FLJPGEWQYJVDPF-UHFFFAOYSA-L</InChIKey><canonical_smiles>[O-]S(=O)(=O)[O-].[Cs+].[Cs+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dicesium;sulfate</IUPAC_name></identification><comment>Liquid. Gurvich,1982 pt1 p496 pt2 p517.</comment><reference>tpis82</reference><elements><element Cs="2" /><element S="1" /><element O="4" /></elements><condensed>True</condensed><molecular_weight>0.36187349999999996</molecular_weight><hf298.15>-1442900.000</hf298.15><T_range Thigh="6000.0" Tlow="1288.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.489623562e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.778210954e+05</b1><b2>-1.169167420e+02</b2></T_range></specie><specie inp_file_name="Cu(cr)"><identification><InChIKey>RYGMFSIKBFXOCR-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Cu]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>copper</IUPAC_name></identification><comment>Cubic. Ref-Elm.Cox,1989 p226.</comment><reference>coda89</reference><elements><element Cu="1" /></elements><condensed>True</condensed><molecular_weight>0.063546</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="1358.0" Tlow="200.0"><a1>-2.455775109e+04</a1><a2>1.648069205e+02</a2><a3>2.080947143e+00</a3><a4>2.639078305e-03</a4><a5>-2.714101362e-06</a5><a6>1.402864982e-09</a6><a7>-9.724321640e-14</a7><b1>-1.737850969e+03</b1><b2>-8.133166800e+00</b2></T_range></specie><specie inp_file_name="Cu(L)"><identification><InChIKey>RYGMFSIKBFXOCR-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Cu]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>copper</IUPAC_name></identification><comment>Liquid. Ref-Elm.Cox,1989 p226.</comment><reference>coda89</reference><elements><element Cu="1" /></elements><condensed>True</condensed><molecular_weight>0.063546</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="6000.0" Tlow="1358.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>3.944910764e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-2.111013775e+02</b1><b2>-1.836065775e+01</b2></T_range></specie><specie inp_file_name="CuBr(a)"><identification><InChIKey>NKNDPYCGAZPOFS-UHFFFAOYSA-M</InChIKey><canonical_smiles>[Cu]Br</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>bromocopper</IUPAC_name></identification><comment>Alpha. Pankratz,1984 p177.</comment><reference>g10/00</reference><elements><element Cu="1" /><element Br="1" /></elements><condensed>True</condensed><molecular_weight>0.14345</molecular_weight><hf298.15>-105604.160</hf298.15><T_range Thigh="657.0" Tlow="298.15"><a1>9.282973940e+07</a1><a2>-1.403844530e+06</a2><a3>8.783223470e+03</a3><a4>-2.905323712e+01</a4><a5>5.373393350e-02</a5><a6>-5.266133060e-05</a6><a7>2.137926033e-08</a7><b1>6.589039380e+06</b1><b2>-4.752115490e+04</b2></T_range></specie><specie inp_file_name="CuBr(b)"><identification><InChIKey>NKNDPYCGAZPOFS-UHFFFAOYSA-M</InChIKey><canonical_smiles>[Cu]Br</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>bromocopper</IUPAC_name></identification><comment>Beta. Pankratz,1984 p177.</comment><reference>g10/00</reference><elements><element Cu="1" /><element Br="1" /></elements><condensed>True</condensed><molecular_weight>0.14345</molecular_weight><hf298.15>-105604.160</hf298.15><T_range Thigh="741.0" Tlow="657.0"><a1>2.030134717e+04</a1><a2>0.000000000e+00</a2><a3>8.680899310e+00</a3><a4>1.192698187e-04</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.494845171e+04</b1><b2>-3.784920540e+01</b2></T_range></specie><specie inp_file_name="CuBr(c)"><identification><InChIKey>NKNDPYCGAZPOFS-UHFFFAOYSA-M</InChIKey><canonical_smiles>[Cu]Br</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>bromocopper</IUPAC_name></identification><comment>Gamma. Pankratz,1984 p177.</comment><reference>g10/00</reference><elements><element Cu="1" /><element Br="1" /></elements><condensed>True</condensed><molecular_weight>0.14345</molecular_weight><hf298.15>-105604.160</hf298.15><T_range Thigh="759.0" Tlow="741.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>6.996549990e+00</a3><a4>-2.480878428e-06</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.343768009e+04</b1><b2>-2.630094995e+01</b2></T_range></specie><specie inp_file_name="CuBr(L)"><identification><InChIKey>NKNDPYCGAZPOFS-UHFFFAOYSA-M</InChIKey><canonical_smiles>[Cu]Br</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>bromocopper</IUPAC_name></identification><comment>Liquid. Pankratz,1984 p177.</comment><reference>g10/00</reference><elements><element Cu="1" /><element Br="1" /></elements><condensed>True</condensed><molecular_weight>0.14345</molecular_weight><hf298.15>-105604.160</hf298.15><T_range Thigh="1500.0" Tlow="759.0"><a1>5.249558100e+06</a1><a2>-2.757081290e+04</a2><a3>7.103036660e+01</a3><a4>-7.368389880e-02</a4><a5>4.263508020e-05</a5><a6>-1.219118967e-08</a6><a7>1.489531692e-12</a7><b1>1.442863364e+05</b1><b2>-4.366365590e+02</b2></T_range></specie><specie inp_file_name="CuBr2(cr)"><identification><InChIKey>QTMDXZNDVAMKGV-UHFFFAOYSA-L</InChIKey><canonical_smiles>[Cu](Br)Br</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dibromocopper</IUPAC_name></identification><comment>Crystal. Pankratz,1984 p181.</comment><reference>g10/00</reference><elements><element Cu="1" /><element Br="2" /></elements><condensed>True</condensed><molecular_weight>0.22335400000000002</molecular_weight><hf298.15>-138490.400</hf298.15><T_range Thigh="800.0" Tlow="298.15"><a1>-2.314796663e+04</a1><a2>0.000000000e+00</a2><a3>9.183704151e+00</a3><a4>6.239886656e-04</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.949996594e+04</b1><b2>-3.714221219e+01</b2></T_range></specie><specie inp_file_name="CuCl(a)"><identification><InChIKey>OXBLHERUFWYNTN-UHFFFAOYSA-M</InChIKey><canonical_smiles>Cl[Cu]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>chlorocopper</IUPAC_name></identification><comment>Alpha. Pankratz,1984 p182.</comment><reference>g10/00</reference><elements><element Cu="1" /><element Cl="1" /></elements><condensed>True</condensed><molecular_weight>0.09899899999999999</molecular_weight><hf298.15>-155644.800</hf298.15><T_range Thigh="685.0" Tlow="298.15"><a1>-3.658126050e+07</a1><a2>4.622460750e+05</a2><a3>-2.297616527e+03</a3><a4>5.656465110e+00</a4><a5>-6.837763380e-03</a5><a6>3.261042890e-06</a6><a7>0.000000000e+00</a7><b1>-2.287516266e+06</b1><b2>1.303469843e+04</b2></T_range></specie><specie inp_file_name="CuCl(b)"><identification><InChIKey>OXBLHERUFWYNTN-UHFFFAOYSA-M</InChIKey><canonical_smiles>Cl[Cu]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>chlorocopper</IUPAC_name></identification><comment>Beta. Pankratz,1984 p182.</comment><reference>g10/00</reference><elements><element Cu="1" /><element Cl="1" /></elements><condensed>True</condensed><molecular_weight>0.09899899999999999</molecular_weight><hf298.15>-155644.800</hf298.15><T_range Thigh="696.0" Tlow="685.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>9.573589740e+00</a3><a4>-1.820889604e-05</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-2.177033413e+04</b1><b2>-4.503412690e+01</b2></T_range></specie><specie inp_file_name="CuCl(L)"><identification><InChIKey>OXBLHERUFWYNTN-UHFFFAOYSA-M</InChIKey><canonical_smiles>Cl[Cu]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>chlorocopper</IUPAC_name></identification><comment>Liquid. Pankratz,1984 p182.</comment><reference>g10/00</reference><elements><element Cu="1" /><element Cl="1" /></elements><condensed>True</condensed><molecular_weight>0.09899899999999999</molecular_weight><hf298.15>-155644.800</hf298.15><T_range Thigh="1700.0" Tlow="696.0"><a1>2.136369978e+07</a1><a2>-1.123842012e+05</a2><a3>2.576303311e+02</a3><a4>-2.967521373e-01</a4><a5>1.937139129e-04</a5><a6>-6.602332990e-08</a6><a7>9.216872010e-12</a7><b1>6.263960470e+05</b1><b2>-1.640361694e+03</b2></T_range></specie><specie inp_file_name="CuCl2(cr)"><identification><InChIKey>ORTQZVOHEJQUHG-UHFFFAOYSA-L</InChIKey><canonical_smiles>Cl[Cu]Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dichlorocopper</IUPAC_name></identification><comment>Crystal. Pankratz,1984 p185.</comment><reference>g10/00</reference><elements><element Cu="1" /><element Cl="2" /></elements><condensed>True</condensed><molecular_weight>0.134452</molecular_weight><hf298.15>-217986.400</hf298.15><T_range Thigh="675.0" Tlow="298.15"><a1>-2.119456576e+04</a1><a2>-7.996037250e+02</a2><a3>1.293400534e+01</a3><a4>-6.531311580e-03</a4><a5>7.387791880e-06</a5><a6>-2.975231314e-09</a6><a7>0.000000000e+00</a7><b1>-2.535822405e+04</b1><b2>-6.185052500e+01</b2></T_range></specie><specie inp_file_name="CuCl2(L)"><identification><InChIKey>ORTQZVOHEJQUHG-UHFFFAOYSA-L</InChIKey><canonical_smiles>Cl[Cu]Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dichlorocopper</IUPAC_name></identification><comment>Liquid. Pankratz,1984 p185.</comment><reference>g10/00</reference><elements><element Cu="1" /><element Cl="2" /></elements><condensed>True</condensed><molecular_weight>0.134452</molecular_weight><hf298.15>-217986.400</hf298.15><T_range Thigh="6000.0" Tlow="675.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>9.913368316e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-2.929700009e+04</b1><b2>-4.386870689e+01</b2></T_range></specie><specie inp_file_name="CuF(cr)"><identification><InChIKey>BMRUOURRLCCWHB-UHFFFAOYSA-M</InChIKey><canonical_smiles>F[Cu]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>fluorocopper</IUPAC_name></identification><comment>Crystal. Pankratz,1984 p186.</comment><reference>g10/00</reference><elements><element Cu="1" /><element F="1" /></elements><condensed>True</condensed><molecular_weight>0.0825444032</molecular_weight><hf298.15>-209200.000</hf298.15><T_range Thigh="1300.0" Tlow="298.15"><a1>8.970191630e+04</a1><a2>-8.507461080e+02</a2><a3>7.497889560e+00</a3><a4>2.741560003e-03</a4><a5>-2.987072214e-06</a5><a6>1.372974641e-09</a6><a7>-2.449154828e-13</a7><b1>-2.234632002e+04</b1><b2>-3.796523780e+01</b2></T_range></specie><specie inp_file_name="CuF2(cr)"><identification><InChIKey>GWFAVIIMQDUCRA-UHFFFAOYSA-L</InChIKey><canonical_smiles>F[Cu]F</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>difluorocopper</IUPAC_name></identification><comment>Crystal. Pankratz,1984 p188.</comment><reference>g10/00</reference><elements><element Cu="1" /><element F="2" /></elements><condensed>True</condensed><molecular_weight>0.1015428064</molecular_weight><hf298.15>-539819.680</hf298.15><T_range Thigh="1109.0" Tlow="298.15"><a1>2.173703718e+04</a1><a2>-4.937180300e+02</a2><a3>7.140314880e+00</a3><a4>9.517087050e-03</a4><a5>-7.459164380e-06</a5><a6>1.904472482e-09</a6><a7>4.473847180e-13</a7><b1>-6.452906470e+04</b1><b2>-3.535501070e+01</b2></T_range></specie><specie inp_file_name="CuF2(L)"><identification><InChIKey>GWFAVIIMQDUCRA-UHFFFAOYSA-L</InChIKey><canonical_smiles>F[Cu]F</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>difluorocopper</IUPAC_name></identification><comment>Liquid. Pankratz,1984 p188.</comment><reference>g10/00</reference><elements><element Cu="1" /><element F="2" /></elements><condensed>True</condensed><molecular_weight>0.1015428064</molecular_weight><hf298.15>-539819.680</hf298.15><T_range Thigh="6000.0" Tlow="1109.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.207719998e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-6.351133500e+04</b1><b2>-5.654007188e+01</b2></T_range></specie><specie inp_file_name="CuI(a)"><identification><InChIKey>LSXDOTMGLUJQCM-UHFFFAOYSA-M</InChIKey><canonical_smiles>[Cu]I</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>iodocopper</IUPAC_name></identification><comment>King,1973. Pankratz,1984 p190.</comment><reference>g11/00</reference><elements><element Cu="1" /><element I="1" /></elements><condensed>True</condensed><molecular_weight>0.19045046999999998</molecular_weight><hf298.15>-67780.800</hf298.15><T_range Thigh="642.0" Tlow="200.0"><a1>3.341893600e+07</a1><a2>-6.258598240e+05</a2><a3>4.752824990e+03</a3><a4>-1.866377479e+01</a4><a5>4.013741700e-02</a5><a6>-4.477073620e-05</a6><a7>2.026229192e-08</a7><b1>2.806623546e+06</b1><b2>-2.484310642e+04</b2></T_range></specie><specie inp_file_name="CuI(b)"><identification><InChIKey>LSXDOTMGLUJQCM-UHFFFAOYSA-M</InChIKey><canonical_smiles>[Cu]I</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>iodocopper</IUPAC_name></identification><comment>Beta. Pankratz,1984 p190.</comment><reference>g11/00</reference><elements><element Cu="1" /><element I="1" /></elements><condensed>True</condensed><molecular_weight>0.19045046999999998</molecular_weight><hf298.15>-67780.800</hf298.15><T_range Thigh="680.0" Tlow="642.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.665647164e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.582086031e+04</b1><b2>-8.975455543e+01</b2></T_range></specie><specie inp_file_name="CuI(c)"><identification><InChIKey>LSXDOTMGLUJQCM-UHFFFAOYSA-M</InChIKey><canonical_smiles>[Cu]I</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>iodocopper</IUPAC_name></identification><comment>Gamma. Pankratz,1984 p190.</comment><reference>g11/00</reference><elements><element Cu="1" /><element I="1" /></elements><condensed>True</condensed><molecular_weight>0.19045046999999998</molecular_weight><hf298.15>-67780.800</hf298.15><T_range Thigh="868.0" Tlow="680.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>8.252753319e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-9.787795700e+03</b1><b2>-3.447628919e+01</b2></T_range></specie><specie inp_file_name="CuI(L)"><identification><InChIKey>LSXDOTMGLUJQCM-UHFFFAOYSA-M</InChIKey><canonical_smiles>[Cu]I</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>iodocopper</IUPAC_name></identification><comment>Liquid. Pankratz,1984 p190.</comment><reference>g11/00</reference><elements><element Cu="1" /><element I="1" /></elements><condensed>True</condensed><molecular_weight>0.19045046999999998</molecular_weight><hf298.15>-67780.800</hf298.15><T_range Thigh="1600.0" Tlow="868.0"><a1>-1.011252768e+08</a1><a2>4.982205420e+05</a2><a3>-1.002812164e+03</a3><a4>1.087833779e+00</a4><a5>-6.564648130e-04</a5><a6>2.096109501e-07</a6><a7>-2.761239948e-11</a7><b1>-2.912510925e+06</b1><b2>6.575842050e+03</b2></T_range></specie><specie inp_file_name="CuO(cr)"><identification><InChIKey>QPLDLSVMHZLSFG-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[Cu]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>oxocopper</IUPAC_name></identification><comment>Crystal. King,1973 p56.</comment><reference>g11/00</reference><elements><element Cu="1" /><element O="1" /></elements><condensed>True</condensed><molecular_weight>0.0795454</molecular_weight><hf298.15>-155644.800</hf298.15><T_range Thigh="500.0" Tlow="200.0"><a1>-4.516917320e+05</a1><a2>5.470078090e+03</a2><a3>-2.199474390e+01</a3><a4>5.929815860e-02</a4><a5>-4.346152590e-05</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-4.709485370e+04</b1><b2>1.305030297e+02</b2></T_range><T_range Thigh="1400.0" Tlow="500.0"><a1>1.200465628e+06</a1><a2>-7.265787600e+03</a2><a3>2.078520457e+01</a3><a4>-1.455522591e-02</a4><a5>1.267438982e-05</a5><a6>-1.010207859e-08</a6><a7>3.818025500e-12</a7><b1>2.099455971e+04</b1><b2>-1.272540351e+02</b2></T_range></specie><specie inp_file_name="Cu(OH)2(cr)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Crystal. King,1973 p62.</comment><reference>g10/00</reference><elements><element Cu="1" /><element O="2" /><element H="2" /></elements><condensed>True</condensed><molecular_weight>0.09756068000000001</molecular_weight><hf298.15>-443085.600</hf298.15><T_range Thigh="2000.0" Tlow="298.15"><a1>-2.719377798e+05</a1><a2>2.064524617e+03</a2><a3>2.639692948e+00</a3><a4>1.680803576e-02</a4><a5>-1.185312108e-05</a5><a6>4.128854220e-09</a6><a7>-5.731701790e-13</a7><b1>-6.740281360e+04</b1><b2>-3.697949500e+00</b2></T_range></specie><specie inp_file_name="CuS(cr)"><identification><InChIKey>BWFPGXWASODCHM-UHFFFAOYSA-N</InChIKey><canonical_smiles>S=[Cu]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>sulfanylidenecopper</IUPAC_name></identification><comment>Crystal. Pankratz,1987 p99.</comment><reference>g10/00</reference><elements><element Cu="1" /><element S="1" /></elements><condensed>True</condensed><molecular_weight>0.095611</molecular_weight><hf298.15>-55647.200</hf298.15><T_range Thigh="717.824" Tlow="298.15"><a1>-2.883682516e+06</a1><a2>3.709375520e+04</a2><a3>-1.908896435e+02</a3><a4>5.441914820e-01</a4><a5>-8.255987560e-04</a5><a6>6.585650750e-07</a6><a7>-2.151268669e-10</a7><b1>-1.888895944e+05</b1><b2>1.072934856e+03</b2></T_range></specie><specie inp_file_name="CuSO4(cr)"><identification><InChIKey>ARUVKPQLZAKDPS-UHFFFAOYSA-L</InChIKey><canonical_smiles>[O-]S(=O)(=O)[O-].[Cu+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>copper;sulfate</IUPAC_name></identification><comment>Crystal. King,1973 p68.</comment><reference>g10/00</reference><elements><element Cu="1" /><element S="1" /><element O="4" /></elements><condensed>True</condensed><molecular_weight>0.1596086</molecular_weight><hf298.15>-768600.800</hf298.15><T_range Thigh="500.0" Tlow="200.0"><a1>-6.059594400e+06</a1><a2>1.149925970e+05</a2><a3>-8.865821710e+02</a3><a4>3.621436210e+00</a4><a5>-7.953212370e-03</a5><a6>9.136099910e-06</a6><a7>-4.293593660e-09</a7><b1>-6.103352510e+05</b1><b2>4.617693800e+03</b2></T_range><T_range Thigh="1500.0" Tlow="500.0"><a1>4.517267510e+06</a1><a2>-3.693547470e+04</a2><a3>1.240090231e+02</a3><a4>-1.574474634e-01</a4><a5>1.231374136e-04</a5><a6>-4.209750670e-08</a6><a7>3.791447690e-12</a7><b1>1.020928632e+05</b1><b2>-7.502604750e+02</b2></T_range></specie><specie inp_file_name="Cu2O(cr)"><identification><InChIKey>KRFJLUBVMFXRPN-UHFFFAOYSA-N</InChIKey><canonical_smiles>[O-2].[Cu+].[Cu+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>copper(1+);oxygen(2-)</IUPAC_name></identification><comment>Crystal. King,1973 p60.</comment><reference>g10/00</reference><elements><element Cu="2" /><element O="1" /></elements><condensed>True</condensed><molecular_weight>0.14309139999999998</molecular_weight><hf298.15>-170707.200</hf298.15><T_range Thigh="600.0" Tlow="200.0"><a1>6.943093940e+05</a1><a2>-1.107206812e+04</a2><a3>7.007600820e+01</a3><a4>-1.693010736e-01</a4><a5>2.296941394e-04</a5><a6>-1.193708373e-07</a6><a7>0.000000000e+00</a7><b1>2.971995795e+04</b1><b2>-3.800603570e+02</b2></T_range><T_range Thigh="1516.7" Tlow="600.0"><a1>4.899293250e+06</a1><a2>-3.226767710e+04</a2><a3>9.242913240e+01</a3><a4>-1.133053506e-01</a4><a5>8.886458460e-05</a5><a6>-3.911779590e-08</a6><a7>8.170753140e-12</a7><b1>1.562364374e+05</b1><b2>-5.668285450e+02</b2></T_range></specie><specie inp_file_name="Cu2O(L)"><identification><InChIKey>KRFJLUBVMFXRPN-UHFFFAOYSA-N</InChIKey><canonical_smiles>[O-2].[Cu+].[Cu+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>copper(1+);oxygen(2-)</IUPAC_name></identification><comment>Liquid. King,1973 p60.</comment><reference>g10/00</reference><elements><element Cu="2" /><element O="1" /></elements><condensed>True</condensed><molecular_weight>0.14309139999999998</molecular_weight><hf298.15>-170707.200</hf298.15><T_range Thigh="6000.0" Tlow="1516.7"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.199819496e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.922442298e+04</b1><b2>-5.674847630e+01</b2></T_range></specie><specie inp_file_name="Cu2S(a)"><identification><InChIKey>JESPAFKOCOFQIN-UHFFFAOYSA-N</InChIKey><canonical_smiles>S=[Cu].[Cu]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>copper;sulfanylidenecopper</IUPAC_name></identification><comment>Alpha. Pankratz,1987 p101.</comment><reference>g10/00</reference><elements><element Cu="2" /><element S="1" /></elements><condensed>True</condensed><molecular_weight>0.15915700000000002</molecular_weight><hf298.15>-75730.400</hf298.15><T_range Thigh="376.0" Tlow="298.15"><a1>1.219944245e+05</a1><a2>0.000000000e+00</a2><a3>2.442685885e+00</a3><a4>1.822933284e-02</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.023757104e+04</b1><b2>-4.696533160e+00</b2></T_range></specie><specie inp_file_name="Cu2S(b)"><identification><InChIKey>JESPAFKOCOFQIN-UHFFFAOYSA-N</InChIKey><canonical_smiles>S=[Cu].[Cu]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>copper;sulfanylidenecopper</IUPAC_name></identification><comment>Beta. Pankratz,1987 p101.</comment><reference>g10/00</reference><elements><element Cu="2" /><element S="1" /></elements><condensed>True</condensed><molecular_weight>0.15915700000000002</molecular_weight><hf298.15>-75730.400</hf298.15><T_range Thigh="720.0" Tlow="376.0"><a1>-1.211638496e+06</a1><a2>1.256233530e+04</a2><a3>-3.683304810e+01</a3><a4>9.547244050e-02</a4><a5>-9.864227170e-05</a5><a6>3.946755750e-08</a6><a7>0.000000000e+00</a7><b1>-7.698051300e+04</b1><b2>2.352740334e+02</b2></T_range></specie><specie inp_file_name="Cu2S(c)"><identification><InChIKey>JESPAFKOCOFQIN-UHFFFAOYSA-N</InChIKey><canonical_smiles>S=[Cu].[Cu]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>copper;sulfanylidenecopper</IUPAC_name></identification><comment>Gamma. Pankratz,1987 p101.</comment><reference>g10/00</reference><elements><element Cu="2" /><element S="1" /></elements><condensed>True</condensed><molecular_weight>0.15915700000000002</molecular_weight><hf298.15>-75730.400</hf298.15><T_range Thigh="1400.0" Tlow="720.0"><a1>1.585983458e+07</a1><a2>-9.420242290e+04</a2><a3>2.398981626e+02</a3><a4>-2.943865388e-01</a4><a5>2.084368440e-04</a5><a6>-7.757369510e-08</a6><a7>1.184191791e-11</a7><b1>5.203074640e+05</b1><b2>-1.502163502e+03</b2></T_range></specie><specie inp_file_name="Cu2S(L)"><identification><InChIKey>JESPAFKOCOFQIN-UHFFFAOYSA-N</InChIKey><canonical_smiles>S=[Cu].[Cu]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>copper;sulfanylidenecopper</IUPAC_name></identification><comment>Liquid. Pankratz,1987 p101.</comment><reference>g10/00</reference><elements><element Cu="2" /><element S="1" /></elements><condensed>True</condensed><molecular_weight>0.15915700000000002</molecular_weight><hf298.15>-75730.400</hf298.15><T_range Thigh="6000.0" Tlow="1400.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.078393315e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.075259326e+04</b1><b2>-4.551698813e+01</b2></T_range></specie><specie inp_file_name="Fe(a)"><identification><InChIKey>XEEYBQQBJWHFJM-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Fe]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>iron</IUPAC_name></identification><comment>Alpha. Ref-Elm.Below Lambda trans. Chase,1998 p1221.</comment><reference>j 3/78</reference><elements><element Fe="1" /></elements><condensed>True</condensed><molecular_weight>0.055845</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="500.0" Tlow="200.0"><a1>1.350490931e+04</a1><a2>-7.803806250e+02</a2><a3>9.440171470e+00</a3><a4>-2.521767704e-02</a4><a5>5.350170510e-05</a5><a6>-5.099094730e-08</a6><a7>1.993862728e-11</a7><b1>2.416521408e+03</b1><b2>-4.749002850e+01</b2></T_range><T_range Thigh="800.0" Tlow="500.0"><a1>3.543032740e+06</a1><a2>-2.447150531e+04</a2><a3>6.561020930e+01</a3><a4>-7.043929680e-02</a4><a5>3.181052870e-05</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>1.345059978e+05</b1><b2>-4.133788690e+02</b2></T_range><T_range Thigh="1042.0" Tlow="800.0"><a1>2.661026334e+09</a1><a2>-7.846827970e+06</a2><a3>-7.289212280e+02</a3><a4>2.613888297e+01</a4><a5>-3.494742140e-02</a5><a6>1.763752622e-05</a6><a7>-2.907723254e-09</a7><b1>5.234868470e+07</b1><b2>-1.529052200e+04</b2></T_range></specie><specie inp_file_name="Fe(a)"><identification><InChIKey>XEEYBQQBJWHFJM-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Fe]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>iron</IUPAC_name></identification><comment>Alpha. Ref-Elm.Above Lambda trans. Chase,1998 pp1221-5.</comment><reference>j 3/78</reference><elements><element Fe="1" /></elements><condensed>True</condensed><molecular_weight>0.055845</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="1184.0" Tlow="1042.0"><a1>2.481923052e+08</a1><a2>0.000000000e+00</a2><a3>-5.594349090e+02</a3><a4>3.271704940e-01</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>6.467503430e+05</b1><b2>3.669168720e+03</b2></T_range></specie><specie inp_file_name="Fe(c)"><identification><InChIKey>XEEYBQQBJWHFJM-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Fe]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>iron</IUPAC_name></identification><comment>Gamma. Ref-Elm. Chase,1998 pp1221-5.</comment><reference>j 3/78</reference><elements><element Fe="1" /></elements><condensed>True</condensed><molecular_weight>0.055845</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="1665.0" Tlow="1184.0"><a1>1.442428576e+09</a1><a2>-5.335491340e+06</a2><a3>8.052828000e+03</a3><a4>-6.303089630e+00</a4><a5>2.677273007e-03</a5><a6>-5.750045530e-07</a6><a7>4.718611960e-11</a7><b1>3.264264250e+07</b1><b2>-5.508852170e+04</b2></T_range></specie><specie inp_file_name="Fe(d)"><identification><InChIKey>XEEYBQQBJWHFJM-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Fe]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>iron</IUPAC_name></identification><comment>Delta. Ref-Elm. Chase,1998 pp1221-5.</comment><reference>j 3/78</reference><elements><element Fe="1" /></elements><condensed>True</condensed><molecular_weight>0.055845</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="1809.0" Tlow="1665.0"><a1>-3.450190030e+08</a1><a2>0.000000000e+00</a2><a3>7.057501520e+02</a3><a4>-5.442977890e-01</a4><a5>1.190040139e-04</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-8.045725750e+05</b1><b2>-4.545180320e+03</b2></T_range></specie><specie inp_file_name="Fe(L)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Liquid. Ref-Elm. Chase,1998 pp1221-5.</comment><reference>j 3/78</reference><elements><element Fe="1" /></elements><condensed>True</condensed><molecular_weight>0.055845</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="6000.0" Tlow="1809.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>5.535383324e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.270608703e+03</b1><b2>-2.948115042e+01</b2></T_range></specie><specie inp_file_name="Fe(CO)5(L)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Liquid. Chase,1998 p697.</comment><reference>j 3/78</reference><elements><element Fe="1" /><element C="5" /><element O="5" /></elements><condensed>True</condensed><molecular_weight>0.1958955</molecular_weight><hf298.15>-766090.400</hf298.15><T_range Thigh="6000.0" Tlow="253.1"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.811771229e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.005222674e+05</b1><b2>-1.196624513e+02</b2></T_range></specie><specie inp_file_name="FeCl2(cr)"><identification><InChIKey>NMCUIPGRVMDVDB-UHFFFAOYSA-L</InChIKey><canonical_smiles>Cl[Fe]Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dichloroiron</IUPAC_name></identification><comment>Crystal. Chase,1998 pp819-21.</comment><reference>j12/70</reference><elements><element Fe="1" /><element Cl="2" /></elements><condensed>True</condensed><molecular_weight>0.126751</molecular_weight><hf298.15>-341833.000</hf298.15><T_range Thigh="950.0" Tlow="200.0"><a1>-3.757527240e+04</a1><a2>5.932070220e+00</a2><a3>8.822760280e+00</a3><a4>3.742344220e-03</a4><a5>-4.622462850e-06</a5><a6>4.041497880e-09</a6><a7>-1.447289303e-12</a7><b1>-4.403595790e+04</b1><b2>-3.721747350e+01</b2></T_range></specie><specie inp_file_name="FeCl2(L)"><identification><InChIKey>NMCUIPGRVMDVDB-UHFFFAOYSA-L</InChIKey><canonical_smiles>Cl[Fe]Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dichloroiron</IUPAC_name></identification><comment>Liquid. Chase,1998 pp819-21.</comment><reference>j12/70</reference><elements><element Fe="1" /><element Cl="2" /></elements><condensed>True</condensed><molecular_weight>0.126751</molecular_weight><hf298.15>-341833.000</hf298.15><T_range Thigh="6000.0" Tlow="950.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.228851730e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-4.110842530e+04</b1><b2>-5.319067642e+01</b2></T_range></specie><specie inp_file_name="FeCl3(cr)"><identification><InChIKey>RBTARNINKXHZNM-UHFFFAOYSA-K</InChIKey><canonical_smiles>Cl[Fe](Cl)Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>trichloroiron</IUPAC_name></identification><comment>Pankratz,1984 p228. Stuve,1980.</comment><reference>g12/00</reference><elements><element Fe="1" /><element Cl="3" /></elements><condensed>True</condensed><molecular_weight>0.16220400000000001</molecular_weight><hf298.15>-399237.280</hf298.15><T_range Thigh="298.15" Tlow="200.0"><a1>-4.411357940e+06</a1><a2>9.339652130e+04</a2><a3>-7.909985950e+02</a3><a4>3.467913380e+00</a4><a5>-7.632263650e-03</a5><a6>7.316486370e-06</a6><a7>-1.314023921e-09</a7><b1>-4.596567330e+05</b1><b2>4.056239320e+03</b2></T_range><T_range Thigh="577.0" Tlow="298.15"><a1>-1.373170458e+05</a1><a2>1.246888186e+03</a2><a3>4.499842520e+00</a3><a4>1.632234838e-02</a4><a5>-3.871665510e-06</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-5.761466240e+04</b1><b2>-9.144353090e+00</b2></T_range></specie><specie inp_file_name="FeCl3(L)"><identification><InChIKey>RBTARNINKXHZNM-UHFFFAOYSA-K</InChIKey><canonical_smiles>Cl[Fe](Cl)Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>trichloroiron</IUPAC_name></identification><comment>Pankratz,1984 p228. Stuve,1980.</comment><reference>g12/00</reference><elements><element Fe="1" /><element Cl="3" /></elements><condensed>True</condensed><molecular_weight>0.16220400000000001</molecular_weight><hf298.15>-399237.280</hf298.15><T_range Thigh="6000.0" Tlow="577.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.610293331e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-4.849183540e+04</b1><b2>-6.711333581e+01</b2></T_range></specie><specie inp_file_name="Fe.947O(cr)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Wustite. Pankratz,1983 p155.</comment><reference>g11/00</reference><elements><element Fe="0" /><element O="1" /></elements><condensed>True</condensed><molecular_weight>0.06905214999999999</molecular_weight><hf298.15>-266269.760</hf298.15><T_range Thigh="1652.0" Tlow="298.15"><a1>-1.179193966e+04</a1><a2>1.388393372e+02</a2><a3>2.999841854e+00</a3><a4>1.274527210e-02</a4><a5>-1.883886065e-05</a5><a6>1.274258345e-08</a6><a7>-3.042206479e-12</a7><b1>-3.417350500e+04</b1><b2>-1.284759120e+01</b2></T_range></specie><specie inp_file_name="Fe.947O(L)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Wustite Liquid. Pankratz,1983 p155.</comment><reference>g11/00</reference><elements><element Fe="0" /><element O="1" /></elements><condensed>True</condensed><molecular_weight>0.06905214999999999</molecular_weight><hf298.15>-266269.760</hf298.15><T_range Thigh="6000.0" Tlow="1652.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>8.147077819e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-3.255080650e+04</b1><b2>-3.995344357e+01</b2></T_range></specie><specie inp_file_name="FeOCl(cr)"><identification><InChIKey>AFEXUNWJRCURNJ-UHFFFAOYSA-M</InChIKey><canonical_smiles>[O-2].[Cl-].[Fe+3]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>iron(3+);oxygen(2-);chloride</IUPAC_name></identification><comment>Stuve,1980.</comment><reference>g12/00</reference><elements><element Fe="1" /><element O="1" /><element Cl="1" /></elements><condensed>True</condensed><molecular_weight>0.1072974</molecular_weight><hf298.15>-410994.320</hf298.15><T_range Thigh="298.15" Tlow="200.0"><a1>7.211593840e+08</a1><a2>-1.800235674e+07</a2><a3>1.865368524e+05</a3><a4>-1.026861036e+03</a4><a5>3.167682830e+00</a5><a6>-5.191522260e-03</a6><a7>3.531434870e-06</a7><b1>7.557107690e+07</b1><b2>-9.148719350e+05</b2></T_range><T_range Thigh="700.0" Tlow="298.15"><a1>-2.937711808e+05</a1><a2>2.628264415e+03</a2><a3>-4.552872200e+00</a3><a4>3.806463330e-02</a4><a5>-5.536092880e-05</a5><a6>4.502460810e-08</a6><a7>-1.258510270e-11</a7><b1>-6.531943100e+04</b1><b2>3.377057910e+01</b2></T_range></specie><specie inp_file_name="Fe(OH)2(cr)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Crystal. Chase,1998 p1229.</comment><reference>j 6/66</reference><elements><element Fe="1" /><element O="2" /><element H="2" /></elements><condensed>True</condensed><molecular_weight>0.08985968</molecular_weight><hf298.15>-574045.000</hf298.15><T_range Thigh="800.0" Tlow="298.15"><a1>4.240926040e+05</a1><a2>-5.246013500e+03</a2><a3>3.564078140e+01</a3><a4>-5.777285350e-02</a4><a5>8.334162550e-05</a5><a6>-5.353404280e-08</a6><a7>1.183994084e-11</a7><b1>-4.642385900e+04</b1><b2>-1.937387923e+02</b2></T_range><T_range Thigh="1500.0" Tlow="800.0"><a1>8.260012740e+06</a1><a2>-3.584848620e+04</a2><a3>6.631482130e+01</a3><a4>-2.947893247e-02</a4><a5>4.572669670e-06</a5><a6>1.317544528e-09</a6><a7>-2.977356578e-13</a7><b1>1.429652898e+05</b1><b2>-4.364616280e+02</b2></T_range></specie><specie inp_file_name="Fe(OH)3(cr)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Crystal. Chase,1998 p1231.</comment><reference>j 6/66</reference><elements><element Fe="1" /><element O="3" /><element H="3" /></elements><condensed>True</condensed><molecular_weight>0.10686702</molecular_weight><hf298.15>-832616.000</hf298.15><T_range Thigh="1500.0" Tlow="298.15"><a1>-7.418284690e+04</a1><a2>4.915361510e+01</a2><a3>6.351612700e+00</a3><a4>2.730299149e-02</a4><a5>-2.006100982e-05</a5><a6>7.511526410e-09</a6><a7>-1.262038044e-12</a7><b1>-1.036132609e+05</b1><b2>-3.117351481e+01</b2></T_range></specie><specie inp_file_name="FeS(a)"><identification><InChIKey>MBMLMWLHJBBADN-UHFFFAOYSA-N</InChIKey><canonical_smiles>S=[Fe]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>sulfanylideneiron</IUPAC_name></identification><comment>Alpha. Pankratz,1987. Chase,1998 pp1241-3 9/77.</comment><reference>g11/00</reference><elements><element Fe="1" /><element S="1" /></elements><condensed>True</condensed><molecular_weight>0.08791</molecular_weight><hf298.15>-99621.040</hf298.15><T_range Thigh="411.0" Tlow="200.0"><a1>6.562987140e+06</a1><a2>-1.108882861e+05</a2><a3>7.200477640e+02</a3><a4>-2.169002385e+00</a4><a5>3.009472055e-03</a5><a6>-1.385164934e-06</a6><a7>0.000000000e+00</a7><b1>4.996994470e+05</b1><b2>-3.905129920e+03</b2></T_range></specie><specie inp_file_name="FeS(b)"><identification><InChIKey>MBMLMWLHJBBADN-UHFFFAOYSA-N</InChIKey><canonical_smiles>S=[Fe]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>sulfanylideneiron</IUPAC_name></identification><comment>Beta. Pankratz,1987. Chase,1998 pp1241-3 9/77.</comment><reference>g11/00</reference><elements><element Fe="1" /><element S="1" /></elements><condensed>True</condensed><molecular_weight>0.08791</molecular_weight><hf298.15>-99621.040</hf298.15><T_range Thigh="598.0" Tlow="411.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>8.730809152e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.445777846e+04</b1><b2>-4.227609187e+01</b2></T_range></specie><specie inp_file_name="FeS(c)"><identification><InChIKey>MBMLMWLHJBBADN-UHFFFAOYSA-N</InChIKey><canonical_smiles>S=[Fe]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>sulfanylideneiron</IUPAC_name></identification><comment>Gamma. Pankratz,1987. Chase,1998 pp1241-3 9/77.</comment><reference>g11/00</reference><elements><element Fe="1" /><element S="1" /></elements><condensed>True</condensed><molecular_weight>0.08791</molecular_weight><hf298.15>-99621.040</hf298.15><T_range Thigh="1465.0" Tlow="598.0"><a1>-4.651400530e+05</a1><a2>2.845200913e+03</a2><a3>3.227601660e+00</a3><a4>1.639542844e-03</a4><a5>-2.119596921e-06</a5><a6>2.366217205e-09</a6><a7>-3.529138060e-13</a7><b1>-3.030024550e+04</b1><b2>-3.662233560e+00</b2></T_range></specie><specie inp_file_name="FeS(L)"><identification><InChIKey>MBMLMWLHJBBADN-UHFFFAOYSA-N</InChIKey><canonical_smiles>S=[Fe]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>sulfanylideneiron</IUPAC_name></identification><comment>Liquid. Pankratz,1987. Chase,1998 pp1241-3 9/77.</comment><reference>g11/00</reference><elements><element Fe="1" /><element S="1" /></elements><condensed>True</condensed><molecular_weight>0.08791</molecular_weight><hf298.15>-99621.040</hf298.15><T_range Thigh="6000.0" Tlow="1465.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>7.548249987e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-9.925935040e+03</b1><b2>-3.215631501e+01</b2></T_range></specie><specie inp_file_name="FeSO4(cr)"><identification><InChIKey>BAUYGSIQEAFULO-UHFFFAOYSA-L</InChIKey><canonical_smiles>[O-]S(=O)(=O)[O-].[Fe+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>iron(2+);sulfate</IUPAC_name></identification><comment>Chase,1998 p1240.</comment><reference>j 6/66</reference><elements><element Fe="1" /><element S="1" /><element O="4" /></elements><condensed>True</condensed><molecular_weight>0.1519076</molecular_weight><hf298.15>-928848.000</hf298.15><T_range Thigh="700.0" Tlow="200.0"><a1>-6.203392950e+05</a1><a2>8.502519150e+03</a2><a3>-4.378024090e+01</a3><a4>1.731987422e-01</a4><a5>-2.431424518e-04</a5><a6>1.792173046e-07</a6><a7>-5.528922570e-11</a7><b1>-1.550636343e+05</b1><b2>2.467116078e+02</b2></T_range><T_range Thigh="2000.0" Tlow="700.0"><a1>-7.679585180e+06</a1><a2>3.308117000e+04</a2><a3>-4.678167570e+01</a3><a4>6.781223220e-02</a4><a5>-3.741392130e-05</a5><a6>1.099952323e-08</a6><a7>-1.320141816e-12</a7><b1>-3.134827612e+05</b1><b2>3.336437670e+02</b2></T_range></specie><specie inp_file_name="FeS2(cr)"><identification><InChIKey>NIFIFKQPDTWWGU-UHFFFAOYSA-N</InChIKey><canonical_smiles>[S-][S-].[Fe+2]</canonical_smiles><cas_number>1317-66-4</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Pyrite. Chase,1998 p1246.</comment><reference>j 9/77</reference><elements><element Fe="1" /><element S="2" /></elements><condensed>True</condensed><molecular_weight>0.119975</molecular_weight><hf298.15>-171544.000</hf298.15><T_range Thigh="600.0" Tlow="200.0"><a1>-2.506864207e+05</a1><a2>3.294827830e+03</a2><a3>-1.713873471e+01</a3><a4>8.733851000e-02</a4><a5>-1.306227449e-04</a5><a6>7.362001640e-08</a6><a7>0.000000000e+00</a7><b1>-3.800873290e+04</b1><b2>9.277002410e+01</b2></T_range><T_range Thigh="1400.0" Tlow="600.0"><a1>9.114353860e+05</a1><a2>-5.471736420e+03</a2><a3>2.097363178e+01</a3><a4>-1.514620285e-02</a4><a5>1.275975810e-05</a5><a6>-4.881556790e-09</a6><a7>7.710203910e-13</a7><b1>7.794979850e+03</b1><b2>-1.227198763e+02</b2></T_range></specie><specie inp_file_name="Fe2O3(cr)"><identification><InChIKey>LIKBJVNGSGBSGK-UHFFFAOYSA-N</InChIKey><canonical_smiles>[O-2].[O-2].[O-2].[Fe+3].[Fe+3]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>iron(3+);oxygen(2-)</IUPAC_name></identification><comment>Hematite below Curie pt. Pankratz,1983 p158.</comment><reference>g 1/01</reference><elements><element Fe="2" /><element O="3" /></elements><condensed>True</condensed><molecular_weight>0.1596882</molecular_weight><hf298.15>-824248.000</hf298.15><T_range Thigh="600.0" Tlow="298.15"><a1>-2.713211885e+06</a1><a2>2.323047773e+04</a2><a3>-6.765701770e+01</a3><a4>1.306052231e-01</a4><a5>-6.970688120e-05</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-2.256089397e+05</b1><b2>4.228072580e+02</b2></T_range><T_range Thigh="960.0" Tlow="600.0"><a1>3.333492510e+08</a1><a2>-1.859961832e+06</a2><a3>3.885138190e+03</a3><a4>-3.562599480e+00</a4><a5>1.231055904e-03</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>1.058058870e+07</b1><b2>-2.555306055e+04</b2></T_range></specie><specie inp_file_name="Fe2O3(cr)"><identification><InChIKey>LIKBJVNGSGBSGK-UHFFFAOYSA-N</InChIKey><canonical_smiles>[O-2].[O-2].[O-2].[Fe+3].[Fe+3]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>iron(3+);oxygen(2-)</IUPAC_name></identification><comment>Hematite above Curie pt. Pankratz,1983 p158.</comment><reference>g 1/01</reference><elements><element Fe="2" /><element O="3" /></elements><condensed>True</condensed><molecular_weight>0.1596882</molecular_weight><hf298.15>-824248.000</hf298.15><T_range Thigh="1800.0" Tlow="960.0"><a1>-2.844009066e+07</a1><a2>1.253786450e+05</a2><a3>-2.119080355e+02</a3><a4>2.221481558e-01</a4><a5>-1.206765164e-04</a5><a6>3.480738050e-08</a6><a7>-4.165297860e-12</a7><b1>-8.483926520e+05</b1><b2>1.433002161e+03</b2></T_range><T_range Thigh="6000.0" Tlow="1800.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.711439880e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.041599645e+05</b1><b2>-8.780613745e+01</b2></T_range></specie><specie inp_file_name="Fe2(SO4)3(cr)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Chase,1998 p1249.</comment><reference>j 6/66</reference><elements><element Fe="2" /><element S="3" /><element O="12" /></elements><condensed>True</condensed><molecular_weight>0.3998778</molecular_weight><hf298.15>-2582992.400</hf298.15><T_range Thigh="700.0" Tlow="298.15"><a1>-3.987499800e+06</a1><a2>4.471584410e+04</a2><a3>-1.871627045e+02</a3><a4>5.203843270e-01</a4><a5>-5.255167310e-04</a5><a6>2.053709591e-07</a6><a7>0.000000000e+00</a7><b1>-5.418976280e+05</b1><b2>1.097303717e+03</b2></T_range><T_range Thigh="2000.0" Tlow="700.0"><a1>-1.749475174e+07</a1><a2>7.308320780e+04</a2><a3>-9.392951360e+01</a3><a4>1.468051405e-01</a4><a5>-7.963099160e-05</a5><a6>2.311696556e-08</a6><a7>-2.739014918e-12</a7><b1>-7.607146510e+05</b1><b2>6.865330290e+02</b2></T_range></specie><specie inp_file_name="Fe3O4(cr)"><identification><InChIKey>WTFXARWRTYJXII-UHFFFAOYSA-N</InChIKey><canonical_smiles>[O-2].[O-2].[O-2].[O-2].[Fe+2].[Fe+3].[Fe+3]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>iron(2+);iron(3+);oxygen(2-)</IUPAC_name></identification><comment>Magnetite. Pankratz,1983 p160. Westrum,1969.</comment><reference>g 1/01</reference><elements><element Fe="3" /><element O="4" /></elements><condensed>True</condensed><molecular_weight>0.2315326</molecular_weight><hf298.15>-1118383.200</hf298.15><T_range Thigh="298.15" Tlow="200.0"><a1>-5.182671230e+07</a1><a2>1.293463453e+06</a2><a3>-1.341121962e+04</a3><a4>7.401842440e+01</a4><a5>-2.285725885e-01</a5><a6>3.752884300e-04</a6><a7>-2.559338368e-07</a7><b1>-5.570751240e+06</b1><b2>6.575689710e+04</b2></T_range><T_range Thigh="800.0" Tlow="298.15"><a1>-4.407671380e+06</a1><a2>5.351760270e+04</a2><a3>-2.613667759e+02</a3><a4>7.431931490e-01</a4><a5>-9.767843990e-04</a5><a6>5.858865440e-07</a6><a7>-8.780843180e-11</a7><b1>-4.018075450e+05</b1><b2>1.478276107e+03</b2></T_range><T_range Thigh="850.0" Tlow="800.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>-1.070116148e+02</a3><a4>1.738436706e-01</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-9.231022600e+04</b1><b2>6.169265720e+02</b2></T_range></specie><specie inp_file_name="Fe3O4(cr)"><identification><InChIKey>WTFXARWRTYJXII-UHFFFAOYSA-N</InChIKey><canonical_smiles>[O-2].[O-2].[O-2].[O-2].[Fe+2].[Fe+3].[Fe+3]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>iron(2+);iron(3+);oxygen(2-)</IUPAC_name></identification><comment>Magnetite above Curie Pt. Pankratz,1983 p160.</comment><reference>g 1/01</reference><elements><element Fe="3" /><element O="4" /></elements><condensed>True</condensed><molecular_weight>0.2315326</molecular_weight><hf298.15>-1118383.200</hf298.15><T_range Thigh="1870.0" Tlow="850.0"><a1>5.731691980e+07</a1><a2>-1.816105186e+05</a2><a3>2.777813396e+02</a3><a4>-1.849830315e-01</a4><a5>6.145641150e-05</a5><a6>-3.660350860e-09</a6><a7>-1.383713617e-12</a7><b1>9.906992850e+05</b1><b2>-1.868855147e+03</b2></T_range></specie><specie inp_file_name="Fe3O4(L)"><identification><InChIKey>WTFXARWRTYJXII-UHFFFAOYSA-N</InChIKey><canonical_smiles>[O-2].[O-2].[O-2].[O-2].[Fe+2].[Fe+3].[Fe+3]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>iron(2+);iron(3+);oxygen(2-)</IUPAC_name></identification><comment>Liquid. Chase,1998 p1250 6/65.</comment><reference>g 1/01</reference><elements><element Fe="3" /><element O="4" /></elements><condensed>True</condensed><molecular_weight>0.2315326</molecular_weight><hf298.15>-1118383.200</hf298.15><T_range Thigh="6000.0" Tlow="1870.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.415439996e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.242541349e+05</b1><b2>-1.109781572e+02</b2></T_range></specie><specie inp_file_name="Ga(cr)"><identification><InChIKey>GYHNNYVSQQEPJS-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Ga]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>gallium</IUPAC_name></identification><comment>Rhombic. Ref-Elm. Gurvich,1996a pt1 p209 pt2 p169.</comment><reference>tpis96</reference><elements><element Ga="1" /></elements><condensed>True</condensed><molecular_weight>0.069723</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="302.92" Tlow="100.0"><a1>1.665524651e+03</a1><a2>-1.667535996e+02</a2><a3>3.860876380e+00</a3><a4>-1.325442179e-03</a4><a5>2.405494396e-06</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.577791876e+02</b1><b2>-1.730178030e+01</b2></T_range></specie><specie inp_file_name="Ga(L)"><identification><InChIKey>GYHNNYVSQQEPJS-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Ga]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>gallium</IUPAC_name></identification><comment>Liquid. Ref-Elm. Gurvich,1996a pt1 p209 pt2 p169.</comment><reference>tpis96</reference><elements><element Ga="1" /></elements><condensed>True</condensed><molecular_weight>0.069723</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="6000.0" Tlow="302.92"><a1>2.846830421e+04</a1><a2>0.000000000e+00</a2><a3>3.135362156e+00</a3><a4>-3.620177256e-05</a4><a5>2.898547239e-08</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.716496723e+02</b1><b2>-1.053717280e+01</b2></T_range></specie><specie inp_file_name="GaBr3(cr)"><identification><InChIKey>SRVXDMYFQIODQI-UHFFFAOYSA-K</InChIKey><canonical_smiles>[Ga](Br)(Br)Br</canonical_smiles><cas_number>13450-88-9</cas_number><IUPAC_name>tribromogallane</IUPAC_name></identification><comment>Gurvich,1996a pt1 p242 pt2 p195.</comment><reference>tpis96</reference><elements><element Ga="1" /><element Br="3" /></elements><condensed>True</condensed><molecular_weight>0.309435</molecular_weight><hf298.15>-387000.000</hf298.15><T_range Thigh="397.0" Tlow="298.15"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>3.563409028e+00</a3><a4>2.798433101e-02</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-4.885137800e+04</b1><b2>-6.997495329e+00</b2></T_range></specie><specie inp_file_name="GaBr3(L)"><identification><InChIKey>SRVXDMYFQIODQI-UHFFFAOYSA-K</InChIKey><canonical_smiles>[Ga](Br)(Br)Br</canonical_smiles><cas_number>13450-88-9</cas_number><IUPAC_name>tribromogallane</IUPAC_name></identification><comment>Liquid. Gurvich,1996a pt1 p242 pt2 p195.</comment><reference>tpis96</reference><elements><element Ga="1" /><element Br="3" /></elements><condensed>True</condensed><molecular_weight>0.309435</molecular_weight><hf298.15>-387000.000</hf298.15><T_range Thigh="6000.0" Tlow="397.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.544288238e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-4.990695050e+04</b1><b2>-6.330801668e+01</b2></T_range></specie><specie inp_file_name="GaCl3(cr)"><identification><InChIKey>UPWPDUACHOATKO-UHFFFAOYSA-K</InChIKey><canonical_smiles>Cl[Ga](Cl)Cl</canonical_smiles><cas_number>13450-90-3</cas_number><IUPAC_name>trichlorogallane</IUPAC_name></identification><comment>Triclinic. Gurvich,1996a pt1 p234 pt2 p188.</comment><reference>tpis96</reference><elements><element Ga="1" /><element Cl="3" /></elements><condensed>True</condensed><molecular_weight>0.176082</molecular_weight><hf298.15>-527000.000</hf298.15><T_range Thigh="351.0" Tlow="298.15"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.725476306e+00</a3><a4>2.958442530e-02</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-6.551070110e+04</b1><b2>-8.232857519e+00</b2></T_range></specie><specie inp_file_name="GaCl3(L)"><identification><InChIKey>UPWPDUACHOATKO-UHFFFAOYSA-K</InChIKey><canonical_smiles>Cl[Ga](Cl)Cl</canonical_smiles><cas_number>13450-90-3</cas_number><IUPAC_name>trichlorogallane</IUPAC_name></identification><comment>Liquid. Gurvich,1996a pt1 p234 pt2 p188.</comment><reference>tpis96</reference><elements><element Ga="1" /><element Cl="3" /></elements><condensed>True</condensed><molecular_weight>0.176082</molecular_weight><hf298.15>-527000.000</hf298.15><T_range Thigh="6000.0" Tlow="351.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.310961199e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-6.599449360e+04</b1><b2>-5.489418092e+01</b2></T_range></specie><specie inp_file_name="GaF3(cr)"><identification><InChIKey>WXXZSFJVAMRMPV-UHFFFAOYSA-K</InChIKey><canonical_smiles>F[Ga](F)F</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>trifluorogallane</IUPAC_name></identification><comment>Hexagonal. Gurvich,1996a pt1 p226 pt2 p181.</comment><reference>tpis96</reference><elements><element Ga="1" /><element F="3" /></elements><condensed>True</condensed><molecular_weight>0.1267182096</molecular_weight><hf298.15>-1175000.000</hf298.15><T_range Thigh="2000.0" Tlow="298.15"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>9.361585950e+00</a3><a4>4.503211855e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.443105216e+05</b1><b2>-4.313509369e+01</b2></T_range></specie><specie inp_file_name="GaI3(cr)"><identification><InChIKey>DWRNSCDYNYYYHT-UHFFFAOYSA-K</InChIKey><canonical_smiles>[Ga](I)(I)I</canonical_smiles><cas_number>13450-91-4</cas_number><IUPAC_name>triiodogallane</IUPAC_name></identification><comment>Rhombic. Gurvich,1996a pt1 p249 pt2 p202.</comment><reference>tpis96</reference><elements><element Ga="1" /><element I="3" /></elements><condensed>True</condensed><molecular_weight>0.45043641</molecular_weight><hf298.15>-218000.000</hf298.15><T_range Thigh="485.0" Tlow="298.15"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>6.461715723e+00</a3><a4>1.866676449e-02</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-2.897546082e+04</b1><b2>-1.772605384e+01</b2></T_range></specie><specie inp_file_name="GaI3(L)"><identification><InChIKey>DWRNSCDYNYYYHT-UHFFFAOYSA-K</InChIKey><canonical_smiles>[Ga](I)(I)I</canonical_smiles><cas_number>13450-91-4</cas_number><IUPAC_name>triiodogallane</IUPAC_name></identification><comment>Liquid. Gurvich,1996a pt1 p249 pt2 p202.</comment><reference>tpis96</reference><elements><element Ga="1" /><element I="3" /></elements><condensed>True</condensed><molecular_weight>0.45043641</molecular_weight><hf298.15>-218000.000</hf298.15><T_range Thigh="6000.0" Tlow="485.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.656140891e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-3.012686264e+04</b1><b2>-6.793170105e+01</b2></T_range></specie><specie inp_file_name="Ga2O3(cr)"><identification><InChIKey>AJNVQOSZGJRYEI-UHFFFAOYSA-N</InChIKey><canonical_smiles>[O-2].[O-2].[O-2].[Ga+3].[Ga+3]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>digallium;oxygen(2-)</IUPAC_name></identification><comment>Monoclinic. Gurvich,1996a pt1 p219 pt2 p176.</comment><reference>tpis96</reference><elements><element Ga="2" /><element O="3" /></elements><condensed>True</condensed><molecular_weight>0.1874442</molecular_weight><hf298.15>-1091000.000</hf298.15><T_range Thigh="500.0" Tlow="200.0"><a1>-1.515635939e+07</a1><a2>2.787922412e+05</a2><a3>-2.090093764e+03</a3><a4>8.236854680e+00</a4><a5>-1.771414598e-02</a5><a6>1.991804320e-05</a6><a7>-9.167934200e-09</a7><b1>-1.391968792e+06</b1><b2>1.094221304e+04</b2></T_range><T_range Thigh="2080.0" Tlow="500.0"><a1>-2.857534599e+05</a1><a2>0.000000000e+00</a2><a3>1.375883846e+01</a3><a4>1.799504721e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.363570445e+05</b1><b2>-7.032081677e+01</b2></T_range></specie><specie inp_file_name="Ga2O3(L)"><identification><InChIKey>AJNVQOSZGJRYEI-UHFFFAOYSA-N</InChIKey><canonical_smiles>[O-2].[O-2].[O-2].[Ga+3].[Ga+3]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>digallium;oxygen(2-)</IUPAC_name></identification><comment>Liquid. Gurvich,1996a pt1 p219 pt2 p176.</comment><reference>tpis96</reference><elements><element Ga="2" /><element O="3" /></elements><condensed>True</condensed><molecular_weight>0.1874442</molecular_weight><hf298.15>-1091000.000</hf298.15><T_range Thigh="6000.0" Tlow="2080.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.924346714e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.317078351e+05</b1><b2>-1.026657694e+02</b2></T_range></specie><specie inp_file_name="Ge(cr)"><identification><InChIKey>GNPVGFCGXDBREM-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Ge]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>germanium</IUPAC_name></identification><comment>Cubic. Ref-Elm. Gurvich,1991 pt1 p308 pt2 p268.</comment><reference>tpis91</reference><elements><element Ge="1" /></elements><condensed>True</condensed><molecular_weight>0.07264</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="400.0" Tlow="200.0"><a1>-2.396506145e+05</a1><a2>3.150572150e+03</a2><a3>-1.333941357e+01</a3><a4>3.647997810e-02</a4><a5>-2.942104614e-05</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.613882957e+04</b1><b2>7.939211600e+01</b2></T_range><T_range Thigh="1211.4" Tlow="400.0"><a1>-1.888241797e+04</a1><a2>0.000000000e+00</a2><a3>2.898173070e+00</a3><a4>3.591659130e-04</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-9.433864080e+02</b1><b2>-1.298669726e+01</b2></T_range></specie><specie inp_file_name="Ge(L)"><identification><InChIKey>GNPVGFCGXDBREM-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Ge]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>germanium</IUPAC_name></identification><comment>Liquid. Ref-Elm. Gurvich,1991 pt1 p308 pt2 p268.</comment><reference>tpis91</reference><elements><element Ge="1" /></elements><condensed>True</condensed><molecular_weight>0.07264</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="6000.0" Tlow="1211.4"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>3.319498082e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>3.278996640e+03</b1><b2>-1.185992953e+01</b2></T_range></specie><specie inp_file_name="GeO2(II)"><identification><InChIKey>YBMRDBCBODYGJE-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[Ge]=O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dioxogermane</IUPAC_name></identification><comment>Tetragonal Rutile, Gurvich,1991 pt1 p319 pt2 p275.</comment><reference>tpis91</reference><elements><element Ge="1" /><element O="2" /></elements><condensed>True</condensed><molecular_weight>0.1046388</molecular_weight><hf298.15>-580200.000</hf298.15><T_range Thigh="298.15" Tlow="100.0"><a1>-1.362061010e+04</a1><a2>0.000000000e+00</a2><a3>1.390091028e+00</a3><a4>1.608814892e-02</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-7.095682740e+04</b1><b2>-8.017483700e+00</b2></T_range><T_range Thigh="1308.0" Tlow="298.15"><a1>-2.763121338e+05</a1><a2>0.000000000e+00</a2><a3>9.404643208e+00</a3><a4>-1.212218158e-03</a4><a5>1.110107511e-06</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-7.346830070e+04</b1><b2>-5.004997052e+01</b2></T_range></specie><specie inp_file_name="GeO2(I)"><identification><InChIKey>YBMRDBCBODYGJE-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[Ge]=O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dioxogermane</IUPAC_name></identification><comment>Hexagonal alpha-quartz,Gurvich,1991 pt1 p319 pt2 p275.</comment><reference>tpis91</reference><elements><element Ge="1" /><element O="2" /></elements><condensed>True</condensed><molecular_weight>0.1046388</molecular_weight><hf298.15>-580200.000</hf298.15><T_range Thigh="1388.0" Tlow="1308.0"><a1>-1.535267863e+05</a1><a2>0.000000000e+00</a2><a3>7.481860025e+00</a3><a4>1.711465859e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-6.994652970e+04</b1><b2>-3.711331960e+01</b2></T_range></specie><specie inp_file_name="GeO2(L)"><identification><InChIKey>YBMRDBCBODYGJE-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[Ge]=O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dioxogermane</IUPAC_name></identification><comment>Tetragonal liquid,Gurvich,1991 pt1 p319 pt2 p275.</comment><reference>tpis91</reference><elements><element Ge="1" /><element O="2" /></elements><condensed>True</condensed><molecular_weight>0.1046388</molecular_weight><hf298.15>-580200.000</hf298.15><T_range Thigh="6000.0" Tlow="1388.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>9.441326067e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-6.883837870e+04</b1><b2>-4.738551165e+01</b2></T_range></specie><specie inp_file_name="GeS(cr)"><identification><InChIKey>VDNSGQQAZRMTCI-UHFFFAOYSA-N</InChIKey><canonical_smiles>S=[Ge]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>sulfanylidenegermanium</IUPAC_name></identification><comment>Crystal(II). Gurvich,1991 pt1 p342 pt2 p296.</comment><reference>tpis91</reference><elements><element Ge="1" /><element S="1" /></elements><condensed>True</condensed><molecular_weight>0.10470499999999999</molecular_weight><hf298.15>-75348.000</hf298.15><T_range Thigh="298.15" Tlow="100.0"><a1>-1.753890915e+04</a1><a2>0.000000000e+00</a2><a3>4.967049230e+00</a3><a4>3.277123440e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.074763864e+04</b1><b2>-2.138030847e+01</b2></T_range><T_range Thigh="931.0" Tlow="298.15"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>5.015328624e+00</a3><a4>2.453542061e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.066660187e+04</b1><b2>-2.131118286e+01</b2></T_range></specie><specie inp_file_name="GeS(L)"><identification><InChIKey>VDNSGQQAZRMTCI-UHFFFAOYSA-N</InChIKey><canonical_smiles>S=[Ge]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>sulfanylidenegermanium</IUPAC_name></identification><comment>Liquid. Gurvich,1991 pt1 p342 pt2 p296.</comment><reference>tpis91</reference><elements><element Ge="1" /><element S="1" /></elements><condensed>True</condensed><molecular_weight>0.10470499999999999</molecular_weight><hf298.15>-75348.000</hf298.15><T_range Thigh="6000.0" Tlow="931.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>8.058201866e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-9.874413010e+03</b1><b2>-3.707715519e+01</b2></T_range></specie><specie inp_file_name="GeS2(II)"><identification><InChIKey>YIZVROFXIVWAAZ-UHFFFAOYSA-N</InChIKey><canonical_smiles>S=[Ge]=S</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>bis(sulfanylidene)germane</IUPAC_name></identification><comment>Crystal II. Gurvich,1991 pt1 p345 pt2 p298.</comment><reference>tpis91</reference><elements><element Ge="1" /><element S="2" /></elements><condensed>True</condensed><molecular_weight>0.13677</molecular_weight><hf298.15>-121500.000</hf298.15><T_range Thigh="298.15" Tlow="100.0"><a1>-2.239538329e+04</a1><a2>0.000000000e+00</a2><a3>5.754200020e+00</a3><a4>8.048243800e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.676145505e+04</b1><b2>-2.405323435e+01</b2></T_range><T_range Thigh="1113.0" Tlow="298.15"><a1>-3.367606750e+04</a1><a2>0.000000000e+00</a2><a3>7.889821529e+00</a3><a4>1.310961199e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.713657615e+04</b1><b2>-3.427587425e+01</b2></T_range></specie><specie inp_file_name="GeS2(L)"><identification><InChIKey>YIZVROFXIVWAAZ-UHFFFAOYSA-N</InChIKey><canonical_smiles>S=[Ge]=S</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>bis(sulfanylidene)germane</IUPAC_name></identification><comment>Liquid. Gurvich,1991 pt1 p345 pt2 p298.</comment><reference>tpis91</reference><elements><element Ge="1" /><element S="2" /></elements><condensed>True</condensed><molecular_weight>0.13677</molecular_weight><hf298.15>-121500.000</hf298.15><T_range Thigh="6000.0" Tlow="1113.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.202716696e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.893876733e+04</b1><b2>-6.006450099e+01</b2></T_range></specie><specie inp_file_name="HBO2(cr)"><identification><InChIKey>VGTPKLINSHNZRD-UHFFFAOYSA-N</InChIKey><canonical_smiles>B(=O)O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>oxoborinic acid</IUPAC_name></identification><comment>Crystal,metaboric acid. Gurvich,1996a pt1 p41 pt2 p25.</comment><reference>tpis96</reference><elements><element H="1" /><element B="1" /><element O="2" /></elements><condensed>True</condensed><molecular_weight>0.04381774</molecular_weight><hf298.15>-804600.000</hf298.15><T_range Thigh="509.0" Tlow="298.15"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>4.478916978e+00</a3><a4>7.045514408e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-9.841912440e+04</b1><b2>-2.172637097e+01</b2></T_range></specie><specie inp_file_name="HBO2(L)"><identification><InChIKey>VGTPKLINSHNZRD-UHFFFAOYSA-N</InChIKey><canonical_smiles>B(=O)O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>oxoborinic acid</IUPAC_name></identification><comment>Liquid, metaboric acid. Gurvich,1996a pt1 p41 pt2 p25.</comment><reference>tpis96</reference><elements><element H="1" /><element B="1" /><element O="2" /></elements><condensed>True</condensed><molecular_weight>0.04381774</molecular_weight><hf298.15>-804600.000</hf298.15><T_range Thigh="6000.0" Tlow="509.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.262852531e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-9.993471070e+04</b1><b2>-6.555326576e+01</b2></T_range></specie><specie inp_file_name="H2O(cr)"><identification><InChIKey>XLYOFNOQVPJJNP-UHFFFAOYSA-N</InChIKey><canonical_smiles>O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>oxidane</IUPAC_name></identification><comment>Ice. Gordon,1982.</comment><reference>g11/99</reference><elements><element H="2" /><element O="1" /></elements><condensed>True</condensed><molecular_weight>0.01801528</molecular_weight><hf298.15>-299108.000</hf298.15><T_range Thigh="273.15" Tlow="200.0"><a1>-4.026777480e+05</a1><a2>2.747887946e+03</a2><a3>5.738336630e+01</a3><a4>-8.267915240e-01</a4><a5>4.413087980e-03</a5><a6>-1.054251164e-05</a6><a7>9.694495970e-09</a7><b1>-5.530314990e+04</b1><b2>-1.902572063e+02</b2></T_range></specie><specie inp_file_name="H2O(L)"><identification><InChIKey>XLYOFNOQVPJJNP-UHFFFAOYSA-N</InChIKey><canonical_smiles>O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>oxidane</IUPAC_name></identification><comment>Liquid. Cox,1989. Haar,1984. Keenan,1984. Stimson,1969.</comment><reference>g 8/01</reference><elements><element H="2" /><element O="1" /></elements><condensed>True</condensed><molecular_weight>0.01801528</molecular_weight><hf298.15>-285830.000</hf298.15><T_range Thigh="373.15" Tlow="273.15"><a1>1.326371304e+09</a1><a2>-2.448295388e+07</a2><a3>1.879428776e+05</a3><a4>-7.678995050e+02</a4><a5>1.761556813e+00</a5><a6>-2.151167128e-03</a6><a7>1.092570813e-06</a7><b1>1.101760476e+08</b1><b2>-9.779700970e+05</b2></T_range><T_range Thigh="600.0" Tlow="373.15"><a1>1.263631001e+09</a1><a2>-1.680380249e+07</a2><a3>9.278234790e+04</a3><a4>-2.722373950e+02</a4><a5>4.479243760e-01</a5><a6>-3.919397430e-04</a6><a7>1.425743266e-07</a7><b1>8.113176880e+07</b1><b2>-5.134418080e+05</b2></T_range></specie><specie inp_file_name="H2SO4(L)"><identification><InChIKey>QAOWNCQODCNURD-UHFFFAOYSA-N</InChIKey><canonical_smiles>OS(=O)(=O)O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>sulfuric acid</IUPAC_name></identification><comment>Chase,1998 p1335.</comment><reference>j 9/77</reference><elements><element H="2" /><element S="1" /><element O="4" /></elements><condensed>True</condensed><molecular_weight>0.09807848</molecular_weight><hf298.15>-813988.832</hf298.15><T_range Thigh="1000.0" Tlow="283.456"><a1>-7.749933850e+04</a1><a2>1.040538662e+03</a2><a3>4.433804910e+00</a3><a4>3.648845480e-02</a4><a5>-1.743440132e-05</a5><a6>1.175631937e-08</a6><a7>-3.170091690e-12</a7><b1>-1.068997367e+05</b1><b2>-1.353966639e+01</b2></T_range></specie><specie inp_file_name="H3BO3(cr)"><identification><InChIKey>KGBXLFKZBHKPEV-UHFFFAOYSA-N</InChIKey><canonical_smiles>B(O)(O)O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>boric acid</IUPAC_name></identification><comment>Triclinic,orthoboric acid. Gurvich,1996a pt1 p48 pt2 p31.</comment><reference>tpis96</reference><elements><element H="3" /><element B="1" /><element O="3" /></elements><condensed>True</condensed><molecular_weight>0.061833019999999995</molecular_weight><hf298.15>-1094800.000</hf298.15><T_range Thigh="444.1" Tlow="200.0"><a1>2.370260101e+06</a1><a2>-3.116426553e+04</a2><a3>1.488140666e+02</a3><a4>-2.710868145e-01</a4><a5>2.274904549e-04</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>1.950811769e+04</b1><b2>-8.575441950e+02</b2></T_range></specie><specie inp_file_name="H3BO3(L)"><identification><InChIKey>KGBXLFKZBHKPEV-UHFFFAOYSA-N</InChIKey><canonical_smiles>B(O)(O)O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>boric acid</IUPAC_name></identification><comment>Liquid,orthoboric acid. Gurvich,1996a pt1 p48 pt2 p31.</comment><reference>tpis96</reference><elements><element H="3" /><element B="1" /><element O="3" /></elements><condensed>True</condensed><molecular_weight>0.061833019999999995</molecular_weight><hf298.15>-1094800.000</hf298.15><T_range Thigh="6000.0" Tlow="444.1"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.164890054e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.367426553e+05</b1><b2>-1.100910256e+02</b2></T_range></specie><specie inp_file_name="H3PO4(cr)"><identification><InChIKey>NBIIXXVUZAFLBC-UHFFFAOYSA-N</InChIKey><canonical_smiles>OP(=O)(O)O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>phosphoric acid</IUPAC_name></identification><comment>Crystal,Phosphoric acid. Chase,1998 p1345-7.</comment><reference>j12/71</reference><elements><element H="3" /><element P="1" /><element O="4" /></elements><condensed>True</condensed><molecular_weight>0.097995181</molecular_weight><hf298.15>-1284488.000</hf298.15><T_range Thigh="315.5" Tlow="200.0"><a1>2.733365471e+03</a1><a2>0.000000000e+00</a2><a3>1.109347863e+00</a3><a4>4.129024570e-02</a4><a5>-7.810353320e-06</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.565753156e+05</b1><b2>-4.973473130e+00</b2></T_range></specie><specie inp_file_name="H3PO4(L)"><identification><InChIKey>NBIIXXVUZAFLBC-UHFFFAOYSA-N</InChIKey><canonical_smiles>OP(=O)(O)O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>phosphoric acid</IUPAC_name></identification><comment>Liquid,Phosphoric acid. Chase,1998 pp1345-7.</comment><reference>j12/71</reference><elements><element H="3" /><element P="1" /><element O="4" /></elements><condensed>True</condensed><molecular_weight>0.097995181</molecular_weight><hf298.15>-1284488.000</hf298.15><T_range Thigh="1000.0" Tlow="315.5"><a1>4.109081110e+04</a1><a2>-4.410343500e+02</a2><a3>8.547791650e+00</a3><a4>3.198261330e-02</a4><a5>5.167529530e-06</a5><a6>-3.256216600e-09</a6><a7>8.323148740e-13</a7><b1>-1.543175380e+05</b1><b2>-4.155398650e+01</b2></T_range></specie><specie inp_file_name="Hg(cr)"><identification><InChIKey>QSHDDOUJBYECFT-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Hg]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>mercury</IUPAC_name></identification><comment>Tetragonal. Ref-Elm. Chase,1998 pp1373-4.</comment><reference>j12/61</reference><elements><element Hg="1" /></elements><condensed>True</condensed><molecular_weight>0.20059</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="234.29" Tlow="100.0"><a1>-3.184586610e+03</a1><a2>0.000000000e+00</a2><a3>3.464424870e+00</a3><a4>-4.054864610e-03</a4><a5>1.766281131e-05</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.282454336e+03</b1><b2>-1.132010161e+01</b2></T_range></specie><specie inp_file_name="Hg(L)"><identification><InChIKey>QSHDDOUJBYECFT-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Hg]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>mercury</IUPAC_name></identification><comment>Liquid. Ref-Elm. Chase,1998 pp1373-4.</comment><reference>j12/61</reference><elements><element Hg="1" /></elements><condensed>True</condensed><molecular_weight>0.20059</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="600.0" Tlow="234.29"><a1>1.058325418e+05</a1><a2>-1.993826150e+03</a2><a3>1.880577074e+01</a3><a4>-5.994680920e-02</a4><a5>1.228327030e-04</a5><a6>-1.293155349e-07</a6><a7>5.530734430e-11</a7><b1>7.916778390e+03</b1><b2>-9.064871100e+01</b2></T_range><T_range Thigh="2000.0" Tlow="600.0"><a1>7.913840080e+05</a1><a2>-3.956327060e+03</a2><a3>1.106465862e+01</a3><a4>-8.153982650e-03</a4><a5>4.970504160e-06</a5><a6>-1.510428227e-09</a6><a7>1.872051162e-13</a7><b1>2.213772421e+04</b1><b2>-6.072461670e+01</b2></T_range></specie><specie inp_file_name="HgBr2(cr)"><identification><InChIKey>NGYIMTKLQULBOO-UHFFFAOYSA-L</InChIKey><canonical_smiles>Br[Hg]Br</canonical_smiles><cas_number>7789-47-1</cas_number><IUPAC_name>dibromomercury</IUPAC_name></identification><comment>Chase,1998 p482 3/62. Pankratz,1984 p302.</comment><reference>g12/00</reference><elements><element Hg="1" /><element Br="2" /></elements><condensed>True</condensed><molecular_weight>0.36039800000000005</molecular_weight><hf298.15>-175309.600</hf298.15><T_range Thigh="514.0" Tlow="298.15"><a1>-1.853158540e+06</a1><a2>2.003808568e+04</a2><a3>-7.235875200e+01</a3><a4>1.451267662e-01</a4><a5>-9.240269430e-05</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.255295454e+05</b1><b2>4.503769710e+02</b2></T_range></specie><specie inp_file_name="HgBr2(L)"><identification><InChIKey>NGYIMTKLQULBOO-UHFFFAOYSA-L</InChIKey><canonical_smiles>Br[Hg]Br</canonical_smiles><cas_number>7789-47-1</cas_number><IUPAC_name>dibromomercury</IUPAC_name></identification><comment>Chase,1998 pp482-4 3/62.</comment><reference>g12/00</reference><elements><element Hg="1" /><element Br="2" /></elements><condensed>True</condensed><molecular_weight>0.36039800000000005</molecular_weight><hf298.15>-175309.600</hf298.15><T_range Thigh="6000.0" Tlow="514.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.227853475e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-2.320342036e+04</b1><b2>-4.684603799e+01</b2></T_range></specie><specie inp_file_name="HgO(cr)"><identification><InChIKey>UKWHYYKOEPRTIC-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[Hg]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>oxomercury</IUPAC_name></identification><comment>Chase,1998 p1382.</comment><reference>j 6/62</reference><elements><element Hg="1" /><element O="1" /></elements><condensed>True</condensed><molecular_weight>0.21658940000000002</molecular_weight><hf298.15>-90789.000</hf298.15><T_range Thigh="400.0" Tlow="200.0"><a1>-1.062935837e+04</a1><a2>0.000000000e+00</a2><a3>3.345782860e+00</a3><a4>8.775373380e-03</a4><a5>-6.110417750e-06</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.228859467e+04</b1><b2>-1.301600791e+01</b2></T_range><T_range Thigh="1000.0" Tlow="400.0"><a1>1.582008299e+06</a1><a2>-1.511620794e+04</a2><a3>6.157172990e+01</a3><a4>-1.075963114e-01</a4><a5>1.203602940e-04</a5><a6>-7.037671400e-08</a6><a7>1.672097585e-11</a7><b1>6.599870400e+04</b1><b2>-3.568628600e+02</b2></T_range></specie><specie inp_file_name="I2(cr)"><identification><InChIKey>PNDPGZBMCMUPRI-UHFFFAOYSA-N</InChIKey><canonical_smiles>II</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>molecular iodine</IUPAC_name></identification><comment>Rhombic. Ref-Elm. Gurvich,1989 pt1 p219 pt2 p315.</comment><reference>tpis89</reference><elements><element I="2" /></elements><condensed>True</condensed><molecular_weight>0.25380894</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="386.75" Tlow="200.0"><a1>-3.901269140e+06</a1><a2>9.143202330e+04</a2><a3>-8.900457500e+02</a3><a4>4.671270160e+00</a4><a5>-1.357161837e-02</a5><a6>2.073947355e-05</a6><a7>-1.292905191e-08</a7><b1>-3.912632630e+05</b1><b2>4.422603650e+03</b2></T_range></specie><specie inp_file_name="I2(L)"><identification><InChIKey>PNDPGZBMCMUPRI-UHFFFAOYSA-N</InChIKey><canonical_smiles>II</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>molecular iodine</IUPAC_name></identification><comment>Liquid. Ref-Elm. Gurvich,1989 pt1 p219 pt2 p315.</comment><reference>tpis89</reference><elements><element I="2" /></elements><condensed>True</condensed><molecular_weight>0.25380894</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="6000.0" Tlow="386.75"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>9.568212679e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.204453805e+03</b1><b2>-3.637326088e+01</b2></T_range></specie><specie inp_file_name="In(cr)"><identification><InChIKey>APFVFJFRJDLVQX-UHFFFAOYSA-N</InChIKey><canonical_smiles>[In]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>indium</IUPAC_name></identification><comment>Tetragonal. Ref-Elm. Gurvich,1996a pt1 255 pt2 p207.</comment><reference>tpis96</reference><elements><element In="1" /></elements><condensed>True</condensed><molecular_weight>0.114818</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="429.784" Tlow="100.0"><a1>8.511616870e+03</a1><a2>-3.450470040e+02</a2><a3>6.838785170e+00</a3><a4>-1.818530679e-02</a4><a5>4.122421420e-05</a5><a6>-2.960008730e-08</a6><a7>0.000000000e+00</a7><b1>4.580589980e+02</b1><b2>-2.928914154e+01</b2></T_range></specie><specie inp_file_name="In(L)"><identification><InChIKey>APFVFJFRJDLVQX-UHFFFAOYSA-N</InChIKey><canonical_smiles>[In]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>indium</IUPAC_name></identification><comment>Liquid. Ref-Elm. Gurvich,1996a pt1 255 pt2 p207.</comment><reference>tpis96</reference><elements><element In="1" /></elements><condensed>True</condensed><molecular_weight>0.114818</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="6000.0" Tlow="429.784"><a1>5.092302493e+04</a1><a2>0.000000000e+00</a2><a3>3.302178962e+00</a3><a4>-1.313366633e-04</a4><a5>6.037637816e-08</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-4.511517590e+02</b1><b2>-1.075015830e+01</b2></T_range></specie><specie inp_file_name="InBr(cr)"><identification><InChIKey>KLRHPHDUDFIRKB-UHFFFAOYSA-M</InChIKey><canonical_smiles>Br[In]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>bromoindium</IUPAC_name></identification><comment>Rhombic Gurvich,1996a pt1 p289 pt2 p232.</comment><reference>tpis96</reference><elements><element In="1" /><element Br="1" /></elements><condensed>True</condensed><molecular_weight>0.194722</molecular_weight><hf298.15>-175000.000</hf298.15><T_range Thigh="558.0" Tlow="298.15"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>4.633586345e+00</a3><a4>4.628534935e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-2.263476911e+04</b1><b2>-1.455042037e+01</b2></T_range></specie><specie inp_file_name="InBr(L)"><identification><InChIKey>KLRHPHDUDFIRKB-UHFFFAOYSA-M</InChIKey><canonical_smiles>Br[In]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>bromoindium</IUPAC_name></identification><comment>Liquid Gurvich,1996a pt1 p289 pt2 p232</comment><reference>tpis96</reference><elements><element In="1" /><element Br="1" /></elements><condensed>True</condensed><molecular_weight>0.194722</molecular_weight><hf298.15>-175000.000</hf298.15><T_range Thigh="6000.0" Tlow="558.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>8.419016875e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-2.222238473e+04</b1><b2>-3.267500998e+01</b2></T_range></specie><specie inp_file_name="InBr3(cr)"><identification><InChIKey>JKNHZOAONLKYQL-UHFFFAOYSA-K</InChIKey><canonical_smiles>Br[In](Br)Br</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>tribromoindigane</IUPAC_name></identification><comment>Gurvich,1996a pt1 p292 pt2 p235.</comment><reference>tpis96</reference><elements><element In="1" /><element Br="3" /></elements><condensed>True</condensed><molecular_weight>0.35452999999999996</molecular_weight><hf298.15>-399000.000</hf298.15><T_range Thigh="693.0" Tlow="298.15"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.154114915e+01</a3><a4>2.436824299e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-5.153769860e+04</b1><b2>-4.543581045e+01</b2></T_range></specie><specie inp_file_name="InBr3(L)"><identification><InChIKey>JKNHZOAONLKYQL-UHFFFAOYSA-K</InChIKey><canonical_smiles>Br[In](Br)Br</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>tribromoindigane</IUPAC_name></identification><comment>Liquid Gurvich,1996a pt1 p292 pt2 p235.</comment><reference>tpis96</reference><elements><element In="1" /><element Br="3" /></elements><condensed>True</condensed><molecular_weight>0.35452999999999996</molecular_weight><hf298.15>-399000.000</hf298.15><T_range Thigh="6000.0" Tlow="693.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.623667540e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-5.107949370e+04</b1><b2>-6.994831229e+01</b2></T_range></specie><specie inp_file_name="InCl(crII)"><identification><InChIKey>APHGZSBLRQFRCA-UHFFFAOYSA-M</InChIKey><canonical_smiles>Cl[In]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>chloroindium</IUPAC_name></identification><comment>Cubic Gurvich,1996a pt1 p280 pt2 p224.</comment><reference>tpis96</reference><elements><element In="1" /><element Cl="1" /></elements><condensed>True</condensed><molecular_weight>0.150271</molecular_weight><hf298.15>-186500.000</hf298.15><T_range Thigh="387.0" Tlow="298.15"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>5.163984408e+00</a3><a4>3.438567035e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-2.412314134e+04</b1><b2>-1.842034240e+01</b2></T_range></specie><specie inp_file_name="InCl(crI)"><identification><InChIKey>APHGZSBLRQFRCA-UHFFFAOYSA-M</InChIKey><canonical_smiles>Cl[In]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>chloroindium</IUPAC_name></identification><comment>Rhombic Gurvich,1996a pt1 p280 pt2 p224.</comment><reference>tpis96</reference><elements><element In="1" /><element Cl="1" /></elements><condensed>True</condensed><molecular_weight>0.150271</molecular_weight><hf298.15>-186500.000</hf298.15><T_range Thigh="484.0" Tlow="387.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>6.735213500e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-2.441117035e+04</b1><b2>-2.629006183e+01</b2></T_range></specie><specie inp_file_name="InCl(L)"><identification><InChIKey>APHGZSBLRQFRCA-UHFFFAOYSA-M</InChIKey><canonical_smiles>Cl[In]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>chloroindium</IUPAC_name></identification><comment>Liquid Gurvich,1996a pt1 p280 pt2 p224</comment><reference>tpis96</reference><elements><element In="1" /><element Cl="1" /></elements><condensed>True</condensed><molecular_weight>0.150271</molecular_weight><hf298.15>-186500.000</hf298.15><T_range Thigh="6000.0" Tlow="484.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>8.058201866e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-2.248971016e+04</b1><b2>-2.917594080e+01</b2></T_range></specie><specie inp_file_name="InCl3(cr)"><identification><InChIKey>PSCMQHVBLHHWTO-UHFFFAOYSA-K</InChIKey><canonical_smiles>Cl[In](Cl)Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>trichloroindigane</IUPAC_name></identification><comment>Monoclinic Gurvich,1996a pt1 p284 pt2 p227.</comment><reference>tpis96</reference><elements><element In="1" /><element Cl="3" /></elements><condensed>True</condensed><molecular_weight>0.22117699999999998</molecular_weight><hf298.15>-530000.000</hf298.15><T_range Thigh="856.0" Tlow="298.15"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.093437857e+01</a3><a4>3.665158861e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-6.716697410e+04</b1><b2>-4.631386948e+01</b2></T_range></specie><specie inp_file_name="InCl3(L)"><identification><InChIKey>PSCMQHVBLHHWTO-UHFFFAOYSA-K</InChIKey><canonical_smiles>Cl[In](Cl)Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>trichloroindigane</IUPAC_name></identification><comment>Liquid Gurvich,1996a pt1 p284 pt2 p227.</comment><reference>tpis96</reference><elements><element In="1" /><element Cl="3" /></elements><condensed>True</condensed><molecular_weight>0.22117699999999998</molecular_weight><hf298.15>-530000.000</hf298.15><T_range Thigh="6000.0" Tlow="856.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.407178535e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-6.526246230e+04</b1><b2>-6.056749656e+01</b2></T_range></specie><specie inp_file_name="InF3(cr)"><identification><InChIKey>JNLSTWIBJFIVHZ-UHFFFAOYSA-K</InChIKey><canonical_smiles>F[In](F)F</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>trifluoroindigane</IUPAC_name></identification><comment>Hexagonal Gurvich,1996a pt1 p274 pt2 p219.</comment><reference>tpis96</reference><elements><element In="1" /><element F="3" /></elements><condensed>True</condensed><molecular_weight>0.1718132096</molecular_weight><hf298.15>-1190000.000</hf298.15><T_range Thigh="1445.0" Tlow="298.15"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>9.751747247e+00</a3><a4>4.404348542e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.462265291e+05</b1><b2>-4.364479594e+01</b2></T_range></specie><specie inp_file_name="InF3(L)"><identification><InChIKey>JNLSTWIBJFIVHZ-UHFFFAOYSA-K</InChIKey><canonical_smiles>F[In](F)F</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>trifluoroindigane</IUPAC_name></identification><comment>Liquid Gurvich,1996a pt1 p274 pt2 p219.</comment><reference>tpis96</reference><elements><element In="1" /><element F="3" /></elements><condensed>True</condensed><molecular_weight>0.1718132096</molecular_weight><hf298.15>-1190000.000</hf298.15><T_range Thigh="6000.0" Tlow="1445.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.611640373e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.431278760e+05</b1><b2>-7.826197980e+01</b2></T_range></specie><specie inp_file_name="InI(cr)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Rhombic Gurvich,1996a pt1 p296 pt2 p240</comment><reference>tpis96</reference><elements><element In="1" /><element I="1" /></elements><condensed>True</condensed><molecular_weight>0.24172247</molecular_weight><hf298.15>-102500.000</hf298.15><T_range Thigh="637.5" Tlow="200.0"><a1>-9.253976720e+04</a1><a2>1.215133840e+03</a2><a3>-1.038882859e-02</a3><a4>1.368794477e-02</a4><a5>-9.117964390e-06</a5><a6>1.596277777e-09</a6><a7>1.519819589e-12</a7><b1>-2.009017203e+04</b1><b2>1.436598613e+01</b2></T_range></specie><specie inp_file_name="InI(L)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Liquid Gurvich,1996a pt1 p296 pt2 p240</comment><reference>tpis96</reference><elements><element In="1" /><element I="1" /></elements><condensed>True</condensed><molecular_weight>0.24172247</molecular_weight><hf298.15>-102500.000</hf298.15><T_range Thigh="6000.0" Tlow="637.5"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>8.443071209e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.331949891e+04</b1><b2>-3.168475714e+01</b2></T_range></specie><specie inp_file_name="InI2(crII)"><identification><InChIKey>USKWPFJFWKHYJF-UHFFFAOYSA-L</InChIKey><canonical_smiles>[In](I)I</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>diiodoindium</IUPAC_name></identification><comment>Gurvich,1996a pt1 p299 pt2 p242.</comment><reference>tpis96</reference><elements><element In="1" /><element I="2" /></elements><condensed>True</condensed><molecular_weight>0.36862694</molecular_weight><hf298.15>-176000.000</hf298.15><T_range Thigh="428.0" Tlow="200.0"><a1>2.657410907e+04</a1><a2>0.000000000e+00</a2><a3>6.946210170e+00</a3><a4>6.889884760e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-2.345592914e+04</b1><b2>-2.056620828e+01</b2></T_range></specie><specie inp_file_name="InI2(crI)"><identification><InChIKey>USKWPFJFWKHYJF-UHFFFAOYSA-L</InChIKey><canonical_smiles>[In](I)I</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>diiodoindium</IUPAC_name></identification><comment>Gurvich,1996a pt1 p299 pt2 p242.</comment><reference>tpis96</reference><elements><element In="1" /><element I="2" /></elements><condensed>True</condensed><molecular_weight>0.36862694</molecular_weight><hf298.15>-176000.000</hf298.15><T_range Thigh="497.0" Tlow="428.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.080520680e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-2.438345996e+04</b1><b2>-4.070950647e+01</b2></T_range></specie><specie inp_file_name="InI2(L)"><identification><InChIKey>USKWPFJFWKHYJF-UHFFFAOYSA-L</InChIKey><canonical_smiles>[In](I)I</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>diiodoindium</IUPAC_name></identification><comment>Liquid Gurvich,1996a pt1 p299 pt2 p242.</comment><reference>tpis96</reference><elements><element In="1" /><element I="2" /></elements><condensed>True</condensed><molecular_weight>0.36862694</molecular_weight><hf298.15>-176000.000</hf298.15><T_range Thigh="6000.0" Tlow="497.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.379516051e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-2.444424767e+04</b1><b2>-5.640525880e+01</b2></T_range></specie><specie inp_file_name="InI3(cr)"><identification><InChIKey>RMUKCGUDVKEQPL-UHFFFAOYSA-K</InChIKey><canonical_smiles>[In](I)(I)I</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>triiodoindigane</IUPAC_name></identification><comment>Monoclinic Gurvich,1996a pt1 p301 pt2 p244.</comment><reference>tpis96</reference><elements><element In="1" /><element I="3" /></elements><condensed>True</condensed><molecular_weight>0.49553141</molecular_weight><hf298.15>-224000.000</hf298.15><T_range Thigh="480.0" Tlow="296.0"><a1>-1.888265213e+03</a1><a2>0.000000000e+00</a2><a3>1.096468704e+01</a3><a4>4.804492387e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-3.042985260e+04</b1><b2>-3.708283570e+01</b2></T_range></specie><specie inp_file_name="InI3(L)"><identification><InChIKey>RMUKCGUDVKEQPL-UHFFFAOYSA-K</InChIKey><canonical_smiles>[In](I)(I)I</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>triiodoindigane</IUPAC_name></identification><comment>Liquid Gurvich,1996a pt1 p301 pt2 p244.</comment><reference>tpis96</reference><elements><element In="1" /><element I="3" /></elements><condensed>True</condensed><molecular_weight>0.49553141</molecular_weight><hf298.15>-224000.000</hf298.15><T_range Thigh="6000.0" Tlow="480.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.652532741e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-3.031892811e+04</b1><b2>-6.447232654e+01</b2></T_range></specie><specie inp_file_name="In2O3(cr)"><identification><InChIKey>PJXISJQVUVHSOJ-UHFFFAOYSA-N</InChIKey><canonical_smiles>[O-2].[O-2].[O-2].[In+3].[In+3]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>indium(3+);oxygen(2-)</IUPAC_name></identification><comment>Cubic. Gurvich,1996a pt1 p267 pt2 p214.</comment><reference>tpis96</reference><elements><element In="2" /><element O="3" /></elements><condensed>True</condensed><molecular_weight>0.2776342</molecular_weight><hf298.15>-923000.000</hf298.15><T_range Thigh="500.0" Tlow="200.0"><a1>-9.503707350e+06</a1><a2>1.770907496e+05</a2><a3>-1.344503703e+03</a3><a4>5.391303710e+00</a4><a5>-1.171772659e-02</a5><a6>1.329195789e-05</a6><a7>-6.163943540e-09</a7><b1>-9.104733670e+05</b1><b2>7.021339210e+03</b2></T_range><T_range Thigh="2186.0" Tlow="500.0"><a1>-2.719943809e+05</a1><a2>0.000000000e+00</a2><a3>1.461433085e+01</a3><a4>1.210173540e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.163340719e+05</b1><b2>-7.291389772e+01</b2></T_range></specie><specie inp_file_name="In2O3(L)"><identification><InChIKey>PJXISJQVUVHSOJ-UHFFFAOYSA-N</InChIKey><canonical_smiles>[O-2].[O-2].[O-2].[In+3].[In+3]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>indium(3+);oxygen(2-)</IUPAC_name></identification><comment>Liquid. Gurvich,1996a pt1 p267 pt2 p214.</comment><reference>tpis96</reference><elements><element In="2" /><element O="3" /></elements><condensed>True</condensed><molecular_weight>0.2776342</molecular_weight><hf298.15>-923000.000</hf298.15><T_range Thigh="6000.0" Tlow="2186.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.924346714e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.108089477e+05</b1><b2>-1.000602622e+02</b2></T_range></specie><specie inp_file_name="K(cr)"><identification><InChIKey>ZLMJMSJWJFRBEC-UHFFFAOYSA-N</InChIKey><canonical_smiles>[K]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>potassium</IUPAC_name></identification><comment>Cubic. Ref-Elm. Cox,1989 p257.</comment><reference>coda89</reference><elements><element K="1" /></elements><condensed>True</condensed><molecular_weight>0.0390983</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="336.86" Tlow="200.0"><a1>-1.022031747e+05</a1><a2>0.000000000e+00</a2><a3>1.333752016e+01</a3><a4>-5.580990750e-02</a4><a5>9.013009100e-05</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-2.635062430e+03</b1><b2>-5.615376520e+01</b2></T_range></specie><specie inp_file_name="K(L)"><identification><InChIKey>ZLMJMSJWJFRBEC-UHFFFAOYSA-N</InChIKey><canonical_smiles>[K]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>potassium</IUPAC_name></identification><comment>Liquid. Ref-Elm. Cox,1989 p257.</comment><reference>coda89</reference><elements><element K="1" /></elements><condensed>True</condensed><molecular_weight>0.0390983</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="2200.0" Tlow="336.86"><a1>-3.935722030e+03</a1><a2>-4.547278110e+01</a2><a3>4.845244000e+00</a3><a4>-3.083546588e-03</a4><a5>2.015548866e-06</a5><a6>-3.706172930e-11</a6><a7>5.032895480e-15</a7><b1>-8.075609680e+02</b1><b2>-1.836641748e+01</b2></T_range></specie><specie inp_file_name="KAlO2(II)"><identification><InChIKey>WPUINVXKIPAAHK-UHFFFAOYSA-N</InChIKey><canonical_smiles>[O-2].[O-2].[Al+3].[K+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>aluminum;potassium;oxygen(2-)</IUPAC_name></identification><comment>Cubic Gurvich,1982 pt1 p416 pt2 p440.</comment><reference>tpis82</reference><elements><element K="1" /><element Al="1" /><element O="2" /></elements><condensed>True</condensed><molecular_weight>0.098078638</molecular_weight><hf298.15>-1130600.000</hf298.15><T_range Thigh="500.0" Tlow="200.0"><a1>-4.112581400e+06</a1><a2>7.776836810e+04</a2><a3>-5.971614160e+02</a3><a4>2.439288137e+00</a4><a5>-5.340052400e-03</a5><a6>6.098541950e-06</a6><a7>-2.843205389e-09</a7><b1>-4.867714660e+05</b1><b2>3.112191530e+03</b2></T_range><T_range Thigh="810.0" Tlow="500.0"><a1>-1.565945988e+05</a1><a2>0.000000000e+00</a2><a3>9.609859180e+00</a3><a4>4.379778490e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.395641536e+05</b1><b2>-4.665045360e+01</b2></T_range></specie><specie inp_file_name="KAlO2(I)"><identification><InChIKey>WPUINVXKIPAAHK-UHFFFAOYSA-N</InChIKey><canonical_smiles>[O-2].[O-2].[Al+3].[K+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>aluminum;potassium;oxygen(2-)</IUPAC_name></identification><comment>Cubic Gurvich,1982 pt1 p416 pt2 p440.</comment><reference>tpis82</reference><elements><element K="1" /><element Al="1" /><element O="2" /></elements><condensed>True</condensed><molecular_weight>0.098078638</molecular_weight><hf298.15>-1130600.000</hf298.15><T_range Thigh="1986.0" Tlow="810.0"><a1>8.202527870e+05</a1><a2>0.000000000e+00</a2><a3>7.962706161e+00</a3><a4>3.725414967e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.366535595e+05</b1><b2>-3.415265795e+01</b2></T_range></specie><specie inp_file_name="KAlO2(L)"><identification><InChIKey>WPUINVXKIPAAHK-UHFFFAOYSA-N</InChIKey><canonical_smiles>[O-2].[O-2].[Al+3].[K+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>aluminum;potassium;oxygen(2-)</IUPAC_name></identification><comment>Liquid. Gurvich,1982 pt1 p416 pt2 p440.</comment><reference>tpis82</reference><elements><element K="1" /><element Al="1" /><element O="2" /></elements><condensed>True</condensed><molecular_weight>0.098078638</molecular_weight><hf298.15>-1130600.000</hf298.15><T_range Thigh="6000.0" Tlow="1986.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.563531705e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.350952219e+05</b1><b2>-8.015693620e+01</b2></T_range></specie><specie inp_file_name="KBO2(cr)"><identification><InChIKey>JVUYWILPYBCNNG-UHFFFAOYSA-N</InChIKey><canonical_smiles>B(=O)[O-].[K+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>potassium;oxido(oxo)borane</IUPAC_name></identification><comment>Hexagonal. Gurvich,1982 pt1 p414 pt2 p438.</comment><reference>tpis82</reference><elements><element K="1" /><element B="1" /><element O="2" /></elements><condensed>True</condensed><molecular_weight>0.08190810000000001</molecular_weight><hf298.15>-983000.000</hf298.15><T_range Thigh="500.0" Tlow="200.0"><a1>-1.601790683e+07</a1><a2>2.997219831e+05</a2><a3>-2.274223151e+03</a3><a4>9.014942220e+00</a4><a5>-1.951702277e-02</a5><a6>2.207384968e-05</a6><a7>-1.021270864e-08</a7><b1>-1.468642542e+06</b1><b2>1.188723021e+04</b2></T_range><T_range Thigh="1220.0" Tlow="500.0"><a1>-2.328709444e+05</a1><a2>0.000000000e+00</a2><a3>9.862977090e+00</a3><a4>2.740064145e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.220704116e+05</b1><b2>-4.870043770e+01</b2></T_range></specie><specie inp_file_name="KBO2(L)"><identification><InChIKey>JVUYWILPYBCNNG-UHFFFAOYSA-N</InChIKey><canonical_smiles>B(=O)[O-].[K+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>potassium;oxido(oxo)borane</IUPAC_name></identification><comment>Liquid. Gurvich,1982 pt1 p414 pt2 p438.</comment><reference>tpis82</reference><elements><element K="1" /><element B="1" /><element O="2" /></elements><condensed>True</condensed><molecular_weight>0.08190810000000001</molecular_weight><hf298.15>-983000.000</hf298.15><T_range Thigh="6000.0" Tlow="1220.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.743939210e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.250545034e+05</b1><b2>-9.581938648e+01</b2></T_range></specie><specie inp_file_name="KBr(cr)"><identification><InChIKey>IOLCXVTUBQKXJR-UHFFFAOYSA-M</InChIKey><canonical_smiles>[K+].[Br-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>potassium;bromide</IUPAC_name></identification><comment>Cubic. Gurvich,1982 pt1 p394 pt2 p422.</comment><reference>tpis82</reference><elements><element K="1" /><element Br="1" /></elements><condensed>True</condensed><molecular_weight>0.1190023</molecular_weight><hf298.15>-393450.000</hf298.15><T_range Thigh="500.0" Tlow="200.0"><a1>5.931068110e+06</a1><a2>-1.101548735e+05</a2><a3>8.346526100e+02</a3><a4>-3.241060370e+00</a4><a5>6.976184850e-03</a5><a6>-7.847251340e-06</a6><a7>3.614707700e-09</a7><b1>4.475606580e+05</b1><b2>-4.361638690e+03</b2></T_range><T_range Thigh="1007.0" Tlow="500.0"><a1>3.145485337e+04</a1><a2>0.000000000e+00</a2><a3>5.199966220e+00</a3><a4>2.540382104e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-4.887872000e+04</b1><b2>-1.867132005e+01</b2></T_range></specie><specie inp_file_name="KBr(L)"><identification><InChIKey>IOLCXVTUBQKXJR-UHFFFAOYSA-M</InChIKey><canonical_smiles>[K+].[Br-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>potassium;bromide</IUPAC_name></identification><comment>Liquid. Gurvich,1982 pt1 p394 pt2 p422.</comment><reference>tpis82</reference><elements><element K="1" /><element Br="1" /></elements><condensed>True</condensed><molecular_weight>0.1190023</molecular_weight><hf298.15>-393450.000</hf298.15><T_range Thigh="6000.0" Tlow="1007.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>8.358881040e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-4.773361440e+04</b1><b2>-3.492371367e+01</b2></T_range></specie><specie inp_file_name="KCN(II)"><identification><InChIKey>NNFCIKHAZHQZJG-UHFFFAOYSA-N</InChIKey><canonical_smiles>[C-]#N.[K+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>potassium;cyanide</IUPAC_name></identification><comment>Chase,1998 pp617-9.</comment><reference>j 3/66</reference><elements><element K="1" /><element C="1" /><element N="1" /></elements><condensed>True</condensed><molecular_weight>0.0651157</molecular_weight><hf298.15>-113470.000</hf298.15><T_range Thigh="400.0" Tlow="168.3"><a1>4.789226660e+04</a1><a2>-6.869399420e+02</a2><a3>1.189656301e+01</a3><a4>-9.957932230e-03</a4><a5>9.253758250e-06</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.275880363e+04</b1><b2>-5.189047360e+01</b2></T_range><T_range Thigh="895.0" Tlow="400.0"><a1>-8.550726080e+04</a1><a2>7.115109180e+02</a2><a3>5.642442360e+00</a3><a4>3.733592200e-03</a4><a5>-2.880609857e-06</a5><a6>8.848387980e-10</a6><a7>0.000000000e+00</a7><b1>-1.981154134e+04</b1><b2>-1.586461470e+01</b2></T_range></specie><specie inp_file_name="KCN(L)"><identification><InChIKey>NNFCIKHAZHQZJG-UHFFFAOYSA-N</InChIKey><canonical_smiles>[C-]#N.[K+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>potassium;cyanide</IUPAC_name></identification><comment>Chase,1998 pp617-9.</comment><reference>j 3/66</reference><elements><element K="1" /><element C="1" /><element N="1" /></elements><condensed>True</condensed><molecular_weight>0.0651157</molecular_weight><hf298.15>-113470.000</hf298.15><T_range Thigh="6000.0" Tlow="895.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>9.057899984e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.522666331e+04</b1><b2>-3.545330543e+01</b2></T_range></specie><specie inp_file_name="KCl(cr)"><identification><InChIKey>WCUXLLCKKVVCTQ-UHFFFAOYSA-M</InChIKey><canonical_smiles>[Cl-].[K+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>potassium;chloride</IUPAC_name></identification><comment>Cubic. Gurvich,1982 pt1 p390 pt2 p419.</comment><reference>tpis82</reference><elements><element K="1" /><element Cl="1" /></elements><condensed>True</condensed><molecular_weight>0.0745513</molecular_weight><hf298.15>-436490.000</hf298.15><T_range Thigh="500.0" Tlow="200.0"><a1>1.179895024e+06</a1><a2>-2.217824961e+04</a2><a3>1.730930630e+02</a3><a4>-6.545434150e-01</a4><a5>1.415897824e-03</a5><a6>-1.598259237e-06</a6><a7>7.387534150e-10</a7><b1>4.560782730e+04</b1><b2>-8.991527150e+02</b2></T_range><T_range Thigh="1044.0" Tlow="500.0"><a1>2.888789664e+02</a1><a2>0.000000000e+00</a2><a3>5.287088550e+00</a3><a4>4.004092160e-03</a4><a5>-4.343449010e-06</a5><a6>2.753186288e-09</a6><a7>0.000000000e+00</a7><b1>-5.421785640e+04</b1><b2>-2.121648362e+01</b2></T_range></specie><specie inp_file_name="KCl(L)"><identification><InChIKey>WCUXLLCKKVVCTQ-UHFFFAOYSA-M</InChIKey><canonical_smiles>[Cl-].[K+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>potassium;chloride</IUPAC_name></identification><comment>Liquid. Gurvich,1982 pt1 p390 pt2 p419.</comment><reference>tpis82</reference><elements><element K="1" /><element Cl="1" /></elements><condensed>True</condensed><molecular_weight>0.0745513</molecular_weight><hf298.15>-436490.000</hf298.15><T_range Thigh="6000.0" Tlow="1044.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>8.659560215e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-5.322113230e+04</b1><b2>-3.876839685e+01</b2></T_range></specie><specie inp_file_name="KF(cr)"><identification><InChIKey>NROKBHXJSPEDAR-UHFFFAOYSA-M</InChIKey><canonical_smiles>[F-].[K+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>potassium;fluoride</IUPAC_name></identification><comment>Cubic. Gurvich,1982 pt1 p387 pt2 p416.</comment><reference>tpis82</reference><elements><element K="1" /><element F="1" /></elements><condensed>True</condensed><molecular_weight>0.0580967032</molecular_weight><hf298.15>-569900.000</hf298.15><T_range Thigh="500.0" Tlow="200.0"><a1>-2.920039956e+06</a1><a2>5.319604560e+04</a2><a3>-3.910182930e+02</a3><a4>1.542524798e+00</a4><a5>-3.296460120e-03</a5><a6>3.692487030e-06</a6><a7>-1.695192481e-09</a7><b1>-3.107774664e+05</b1><b2>2.055199175e+03</b2></T_range><T_range Thigh="1131.0" Tlow="500.0"><a1>-3.379466710e+04</a1><a2>0.000000000e+00</a2><a3>5.806099490e+00</a3><a4>1.562870483e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-7.045670350e+04</b1><b2>-2.573881635e+01</b2></T_range></specie><specie inp_file_name="KF(L)"><identification><InChIKey>NROKBHXJSPEDAR-UHFFFAOYSA-M</InChIKey><canonical_smiles>[F-].[K+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>potassium;fluoride</IUPAC_name></identification><comment>Liquid. Gurvich,1982 pt1 p387 pt2 p416.</comment><reference>tpis82</reference><elements><element K="1" /><element F="1" /></elements><condensed>True</condensed><molecular_weight>0.0580967032</molecular_weight><hf298.15>-569900.000</hf298.15><T_range Thigh="6000.0" Tlow="1131.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>8.455098376e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-6.905565270e+04</b1><b2>-3.960518579e+01</b2></T_range></specie><specie inp_file_name="KH(cr)"><identification><InChIKey>OCFVSFVLVRNXFJ-UHFFFAOYSA-N</InChIKey><canonical_smiles>[H-].[K+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>potassium;hydride</IUPAC_name></identification><comment>Cubic. Gurvich,1982 pt1 p381 pt2 p411.</comment><reference>tpis82</reference><elements><element K="1" /><element H="1" /></elements><condensed>True</condensed><molecular_weight>0.04010624</molecular_weight><hf298.15>-57820.000</hf298.15><T_range Thigh="892.0" Tlow="298.15"><a1>-6.457385920e+04</a1><a2>0.000000000e+00</a2><a3>4.092965190e+00</a3><a4>3.996988400e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-8.568660280e+03</b1><b2>-1.870503989e+01</b2></T_range></specie><specie inp_file_name="KH(L)"><identification><InChIKey>OCFVSFVLVRNXFJ-UHFFFAOYSA-N</InChIKey><canonical_smiles>[H-].[K+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>potassium;hydride</IUPAC_name></identification><comment>Liquid. Gurvich,1982 pt1 p381 pt2 p411.</comment><reference>tpis82</reference><elements><element K="1" /><element H="1" /></elements><condensed>True</condensed><molecular_weight>0.04010624</molecular_weight><hf298.15>-57820.000</hf298.15><T_range Thigh="6000.0" Tlow="892.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>6.735213500e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-6.737318610e+03</b1><b2>-3.021766413e+01</b2></T_range></specie><specie inp_file_name="K(HF2)(a)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Alpha. Chase,1998 pp1104-6.</comment><reference>j 6/71</reference><elements><element K="1" /><element H="1" /><element F="2" /></elements><condensed>True</condensed><molecular_weight>0.0781030464</molecular_weight><hf298.15>-931232.880</hf298.15><T_range Thigh="469.85" Tlow="200.0"><a1>2.015718998e+03</a1><a2>-3.533789190e+02</a2><a3>8.928247670e+00</a3><a4>2.814397451e-03</a4><a5>7.299809050e-06</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.128323001e+05</b1><b2>-4.066701520e+01</b2></T_range></specie><specie inp_file_name="K(HF2)(b)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Beta. Chase,1998 pp1104-6.</comment><reference>j 6/71</reference><elements><element K="1" /><element H="1" /><element F="2" /></elements><condensed>True</condensed><molecular_weight>0.0781030464</molecular_weight><hf298.15>-931232.880</hf298.15><T_range Thigh="511.95" Tlow="469.85"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.205711461e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.145682138e+05</b1><b2>-5.416912090e+01</b2></T_range></specie><specie inp_file_name="K(HF2)(L)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Liquid. Chase,1998 pp1104-6.</comment><reference>j 6/71</reference><elements><element K="1" /><element H="1" /><element F="2" /></elements><condensed>True</condensed><molecular_weight>0.0781030464</molecular_weight><hf298.15>-931232.880</hf298.15><T_range Thigh="6000.0" Tlow="511.95"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.258041665e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.140400401e+05</b1><b2>-5.587860571e+01</b2></T_range></specie><specie inp_file_name="KI(cr)"><identification><InChIKey>NLKNQRATVPKPDG-UHFFFAOYSA-M</InChIKey><canonical_smiles>[K+].[I-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>potassium;iodide</IUPAC_name></identification><comment>Cubic. Gurvich,1982 pt1 p398 pt2 p425.</comment><reference>tpis82</reference><elements><element K="1" /><element I="1" /></elements><condensed>True</condensed><molecular_weight>0.16600277</molecular_weight><hf298.15>-329300.000</hf298.15><T_range Thigh="500.0" Tlow="200.0"><a1>3.849118670e+06</a1><a2>-7.198411950e+04</a2><a3>5.507582640e+02</a3><a4>-2.141022674e+00</a4><a5>4.628312070e-03</a5><a6>-5.222322770e-06</a6><a7>2.411694600e-09</a7><b1>2.826852967e+05</b1><b2>-2.871024327e+03</b2></T_range><T_range Thigh="954.0" Tlow="500.0"><a1>2.770577458e+04</a1><a2>0.000000000e+00</a2><a3>5.235901210e+00</a3><a4>2.694044229e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-4.119339520e+04</b1><b2>-1.772462446e+01</b2></T_range></specie><specie inp_file_name="KI(L)"><identification><InChIKey>NLKNQRATVPKPDG-UHFFFAOYSA-M</InChIKey><canonical_smiles>[K+].[I-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>potassium;iodide</IUPAC_name></identification><comment>Liquid. Gurvich,1982 pt1 p398 pt2 p425.</comment><reference>tpis82</reference><elements><element K="1" /><element I="1" /></elements><condensed>True</condensed><molecular_weight>0.16600277</molecular_weight><hf298.15>-329300.000</hf298.15><T_range Thigh="6000.0" Tlow="954.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>8.455098376e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-4.017867910e+04</b1><b2>-3.422733253e+01</b2></T_range></specie><specie inp_file_name="KNO2(II)"><identification><InChIKey>BXNHTSHTPBPRFX-UHFFFAOYSA-M</InChIKey><canonical_smiles>N(=O)[O-].[K+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>potassium;nitrite</IUPAC_name></identification><comment>Hexagonal. Gurvich,1982 pt1 p404 pt2 p430.</comment><reference>tpis82</reference><elements><element K="1" /><element N="1" /><element O="2" /></elements><condensed>True</condensed><molecular_weight>0.08510380000000001</molecular_weight><hf298.15>-365900.000</hf298.15><T_range Thigh="314.7" Tlow="200.0"><a1>-1.228297484e+07</a1><a2>0.000000000e+00</a2><a3>1.182559906e+03</a3><a4>-6.076842320e+00</a4><a5>8.778424840e-03</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-2.452424942e+05</b1><b2>-5.366905900e+03</b2></T_range></specie><specie inp_file_name="KNO2(I)"><identification><InChIKey>BXNHTSHTPBPRFX-UHFFFAOYSA-M</InChIKey><canonical_smiles>N(=O)[O-].[K+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>potassium;nitrite</IUPAC_name></identification><comment>Cubic. Gurvich,1982 pt1 p404 pt2 p430.</comment><reference>tpis82</reference><elements><element K="1" /><element N="1" /><element O="2" /></elements><condensed>True</condensed><molecular_weight>0.08510380000000001</molecular_weight><hf298.15>-365900.000</hf298.15><T_range Thigh="711.0" Tlow="314.7"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>9.827879214e+00</a3><a4>2.012866663e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-4.687774970e+04</b1><b2>-3.782318671e+01</b2></T_range></specie><specie inp_file_name="KNO2(L)"><identification><InChIKey>BXNHTSHTPBPRFX-UHFFFAOYSA-M</InChIKey><canonical_smiles>N(=O)[O-].[K+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>potassium;nitrite</IUPAC_name></identification><comment>Liquid. Gurvich,1982 pt1 p404 pt2 p430.</comment><reference>tpis82</reference><elements><element K="1" /><element N="1" /><element O="2" /></elements><condensed>True</condensed><molecular_weight>0.08510380000000001</molecular_weight><hf298.15>-365900.000</hf298.15><T_range Thigh="6000.0" Tlow="711.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.226771030e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-4.609515960e+04</b1><b2>-4.958866367e+01</b2></T_range></specie><specie inp_file_name="KNO3(a)"><identification><InChIKey>FGIUAXJPYTZDNR-UHFFFAOYSA-N</InChIKey><canonical_smiles>[N+](=O)([O-])[O-].[K+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>potassium;nitrate</IUPAC_name></identification><comment>Rhombic. Gurvich,1982 pt1 p407 pt2 p432.</comment><reference>tpis82</reference><elements><element K="1" /><element N="1" /><element O="3" /></elements><condensed>True</condensed><molecular_weight>0.1011032</molecular_weight><hf298.15>-494000.000</hf298.15><T_range Thigh="402.0" Tlow="200.0"><a1>3.565624070e+06</a1><a2>-6.291319380e+04</a2><a3>4.392599940e+02</a3><a4>-1.436497824e+00</a4><a5>2.380417773e-03</a5><a6>-1.518208824e-06</a6><a7>0.000000000e+00</a7><b1>2.258505778e+05</b1><b2>-2.341795728e+03</b2></T_range></specie><specie inp_file_name="KNO3(b)"><identification><InChIKey>FGIUAXJPYTZDNR-UHFFFAOYSA-N</InChIKey><canonical_smiles>[N+](=O)([O-])[O-].[K+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>potassium;nitrate</IUPAC_name></identification><comment>Hexagonal. Gurvich,1982 pt1 p407 pt2 p432.</comment><reference>tpis82</reference><elements><element K="1" /><element N="1" /><element O="3" /></elements><condensed>True</condensed><molecular_weight>0.1011032</molecular_weight><hf298.15>-494000.000</hf298.15><T_range Thigh="607.7" Tlow="402.0"><a1>3.211975210e+06</a1><a2>0.000000000e+00</a2><a3>-5.032659772e+01</a3><a4>1.462070525e-01</a4><a5>-8.159374395e-05</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-3.934846620e+04</b1><b2>2.807123740e+02</b2></T_range></specie><specie inp_file_name="KNO3(L)"><identification><InChIKey>FGIUAXJPYTZDNR-UHFFFAOYSA-N</InChIKey><canonical_smiles>[N+](=O)([O-])[O-].[K+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>potassium;nitrate</IUPAC_name></identification><comment>Liquid. Gurvich,1982 pt1 p407 pt2 p432.</comment><reference>tpis82</reference><elements><element K="1" /><element N="1" /><element O="3" /></elements><condensed>True</condensed><molecular_weight>0.1011032</molecular_weight><hf298.15>-494000.000</hf298.15><T_range Thigh="6000.0" Tlow="607.7"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.695830542e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-6.345106350e+04</b1><b2>-7.918784042e+01</b2></T_range></specie><specie inp_file_name="KOH(a)"><identification><InChIKey>KWYUFKZDYYNOTN-UHFFFAOYSA-M</InChIKey><canonical_smiles>[OH-].[K+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>potassium;hydroxide</IUPAC_name></identification><comment>Alpha,beta. Gurvich,1997 p1031.</comment><reference>g 8/97</reference><elements><element K="1" /><element O="1" /><element H="1" /></elements><condensed>True</condensed><molecular_weight>0.05610564</molecular_weight><hf298.15>-423400.000</hf298.15><T_range Thigh="298.15" Tlow="100.0"><a1>-4.380064620e+05</a1><a2>1.125472885e+04</a2><a3>-1.023623342e+02</a3><a4>4.375630440e-01</a4><a5>-5.920346390e-04</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.002155756e+05</b1><b2>5.241308280e+02</b2></T_range></specie><specie inp_file_name="KOH(b)"><identification><InChIKey>KWYUFKZDYYNOTN-UHFFFAOYSA-M</InChIKey><canonical_smiles>[OH-].[K+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>potassium;hydroxide</IUPAC_name></identification><comment>Beta. Gurvich,1997 p1031.</comment><reference>g 8/97</reference><elements><element K="1" /><element O="1" /><element H="1" /></elements><condensed>True</condensed><molecular_weight>0.05610564</molecular_weight><hf298.15>-423400.000</hf298.15><T_range Thigh="517.0" Tlow="298.15"><a1>-2.814357070e+03</a1><a2>0.000000000e+00</a2><a3>6.478313214e+00</a3><a4>6.183767895e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-5.313882160e+04</b1><b2>-2.899826328e+01</b2></T_range></specie><specie inp_file_name="KOH(c)"><identification><InChIKey>KWYUFKZDYYNOTN-UHFFFAOYSA-M</InChIKey><canonical_smiles>[OH-].[K+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>potassium;hydroxide</IUPAC_name></identification><comment>Gamma. Gurvich,1997 p1031.</comment><reference>g 8/97</reference><elements><element K="1" /><element O="1" /><element H="1" /></elements><condensed>True</condensed><molecular_weight>0.05610564</molecular_weight><hf298.15>-423400.000</hf298.15><T_range Thigh="679.0" Tlow="517.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>9.621733572e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-5.325857830e+04</b1><b2>-4.413346659e+01</b2></T_range></specie><specie inp_file_name="KOH(L)"><identification><InChIKey>KWYUFKZDYYNOTN-UHFFFAOYSA-M</InChIKey><canonical_smiles>[OH-].[K+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>potassium;hydroxide</IUPAC_name></identification><comment>Liquid. Gurvich,1997 p1031.</comment><reference>g 8/97</reference><elements><element K="1" /><element O="1" /><element H="1" /></elements><condensed>True</condensed><molecular_weight>0.05610564</molecular_weight><hf298.15>-423400.000</hf298.15><T_range Thigh="6000.0" Tlow="679.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.046363526e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-5.288008340e+04</b1><b2>-4.822385687e+01</b2></T_range></specie><specie inp_file_name="KO2(b)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Tetragonal. Gurvich,1982 pt1 p375 pt2 p405.</comment><reference>tpis82</reference><elements><element K="1" /><element O="2" /></elements><condensed>True</condensed><molecular_weight>0.0710971</molecular_weight><hf298.15>-283600.000</hf298.15><T_range Thigh="422.0" Tlow="200.0"><a1>5.149174260e+06</a1><a2>-7.614604350e+04</a2><a3>4.537181540e+02</a3><a4>-1.295601160e+00</a4><a5>1.892822220e-03</a5><a6>-1.090404806e-06</a6><a7>0.000000000e+00</a7><b1>3.247518810e+05</b1><b2>-2.484666478e+03</b2></T_range></specie><specie inp_file_name="KO2(a)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Cubic. Gurvich,1982 pt1 p375 pt2 p405.</comment><reference>tpis82</reference><elements><element K="1" /><element O="2" /></elements><condensed>True</condensed><molecular_weight>0.0710971</molecular_weight><hf298.15>-283600.000</hf298.15><T_range Thigh="808.0" Tlow="422.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.058390693e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-3.734259730e+04</b1><b2>-4.545206851e+01</b2></T_range></specie><specie inp_file_name="KO2(L)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Liquid. Gurvich,1982 pt1 p375 pt2 p405.</comment><reference>tpis82</reference><elements><element K="1" /><element O="2" /></elements><condensed>True</condensed><molecular_weight>0.0710971</molecular_weight><hf298.15>-283600.000</hf298.15><T_range Thigh="6000.0" Tlow="808.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.202716696e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-3.603115500e+04</b1><b2>-5.204773022e+01</b2></T_range></specie><specie inp_file_name="K2CO3(a)"><identification><InChIKey>BWHMMNNQKKPAPP-UHFFFAOYSA-L</InChIKey><canonical_smiles>C(=O)([O-])[O-].[K+].[K+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dipotassium;carbonate</IUPAC_name></identification><comment>Monoclinic. Gurvich,1982 pt1 p410 pt2 p434.</comment><reference>tpis82</reference><elements><element K="2" /><element C="1" /><element O="3" /></elements><condensed>True</condensed><molecular_weight>0.1382055</molecular_weight><hf298.15>-1151500.000</hf298.15><T_range Thigh="693.0" Tlow="200.0"><a1>-3.632826430e+05</a1><a2>5.957567840e+03</a2><a3>-3.080710797e+01</a3><a4>1.494558714e-01</a4><a5>-2.377158989e-04</a5><a6>2.231711601e-07</a6><a7>-8.466662880e-11</a7><b1>-1.694136603e+05</b1><b2>1.763682121e+02</b2></T_range></specie><specie inp_file_name="K2CO3(b)"><identification><InChIKey>BWHMMNNQKKPAPP-UHFFFAOYSA-L</InChIKey><canonical_smiles>C(=O)([O-])[O-].[K+].[K+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dipotassium;carbonate</IUPAC_name></identification><comment>Hexagonal. Gurvich,1982 pt1 p410 pt2 p434.</comment><reference>tpis82</reference><elements><element K="2" /><element C="1" /><element O="3" /></elements><condensed>True</condensed><molecular_weight>0.1382055</molecular_weight><hf298.15>-1151500.000</hf298.15><T_range Thigh="1173.0" Tlow="693.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.310023080e+01</a3><a4>8.280944999e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.424065852e+05</b1><b2>-5.805609552e+01</b2></T_range></specie><specie inp_file_name="K2CO3(L)"><identification><InChIKey>BWHMMNNQKKPAPP-UHFFFAOYSA-L</InChIKey><canonical_smiles>C(=O)([O-])[O-].[K+].[K+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dipotassium;carbonate</IUPAC_name></identification><comment>Liquid. Gurvich,1982 pt1 p410 pt2 p434.</comment><reference>tpis82</reference><elements><element K="2" /><element C="1" /><element O="3" /></elements><condensed>True</condensed><molecular_weight>0.1382055</molecular_weight><hf298.15>-1151500.000</hf298.15><T_range Thigh="6000.0" Tlow="1173.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.471582811e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.466663988e+05</b1><b2>-1.273064200e+02</b2></T_range></specie><specie inp_file_name="K2O(c)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>III Cubic. Gurvich,1982 pt1 p377 pt2 p406.</comment><reference>tpis82</reference><elements><element K="2" /><element O="1" /></elements><condensed>True</condensed><molecular_weight>0.094196</molecular_weight><hf298.15>-361700.000</hf298.15><T_range Thigh="590.0" Tlow="298.15"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>6.140710637e+00</a3><a4>8.448122619e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-4.570860710e+04</b1><b2>-2.596002023e+01</b2></T_range></specie><specie inp_file_name="K2O(b)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>II Cubic. Gurvich,1982 pt1 p377 pt2 p406.</comment><reference>tpis82</reference><elements><element K="2" /><element O="1" /></elements><condensed>True</condensed><molecular_weight>0.094196</molecular_weight><hf298.15>-361700.000</hf298.15><T_range Thigh="645.0" Tlow="590.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.202716696e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-4.762703040e+04</b1><b2>-5.838924536e+01</b2></T_range></specie><specie inp_file_name="K2O(a)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>I Tetragonal. Gurvich,1982 pt1 p377 pt2 p406.</comment><reference>tpis82</reference><elements><element K="2" /><element O="1" /></elements><condensed>True</condensed><molecular_weight>0.094196</molecular_weight><hf298.15>-361700.000</hf298.15><T_range Thigh="1013.0" Tlow="645.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.202716696e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-4.714594370e+04</b1><b2>-5.764337454e+01</b2></T_range></specie><specie inp_file_name="K2O(L)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Liquid. Gurvich,1982 pt1 p377 pt2 p406.</comment><reference>tpis82</reference><elements><element K="2" /><element O="1" /></elements><condensed>True</condensed><molecular_weight>0.094196</molecular_weight><hf298.15>-361700.000</hf298.15><T_range Thigh="6000.0" Tlow="1013.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.202716696e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-4.389860860e+04</b1><b2>-5.443771306e+01</b2></T_range></specie><specie inp_file_name="K2O2(cr)"><identification><InChIKey>XXQBEVHPUKOQEO-UHFFFAOYSA-N</InChIKey><canonical_smiles>[O-][O-].[K+].[K+]</canonical_smiles><cas_number>17014-71-0</cas_number><IUPAC_name>dipotassium;peroxide</IUPAC_name></identification><comment>Rhombic. Gurvich,1982 pt1 p379 pt2 p409.</comment><reference>tpis82</reference><elements><element K="2" /><element O="2" /></elements><condensed>True</condensed><molecular_weight>0.11019540000000001</molecular_weight><hf298.15>-443000.000</hf298.15><T_range Thigh="818.0" Tlow="298.15"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>9.151230800e+00</a3><a4>6.015267286e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-5.627614800e+04</b1><b2>-3.986168914e+01</b2></T_range></specie><specie inp_file_name="K2O2(L)"><identification><InChIKey>XXQBEVHPUKOQEO-UHFFFAOYSA-N</InChIKey><canonical_smiles>[O-][O-].[K+].[K+]</canonical_smiles><cas_number>17014-71-0</cas_number><IUPAC_name>dipotassium;peroxide</IUPAC_name></identification><comment>Liquid. Gurvich,1982 pt1 p379 pt2 p409.</comment><reference>tpis82</reference><elements><element K="2" /><element O="2" /></elements><condensed>True</condensed><molecular_weight>0.11019540000000001</molecular_weight><hf298.15>-443000.000</hf298.15><T_range Thigh="6000.0" Tlow="818.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.611640373e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-5.749561030e+04</b1><b2>-7.864151320e+01</b2></T_range></specie><specie inp_file_name="K2S(cr)"><identification><InChIKey>DPLVEEXVKBWGHE-UHFFFAOYSA-N</InChIKey><canonical_smiles>[S-2].[K+].[K+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dipotassium;sulfide</IUPAC_name></identification><comment>Below lambda. Chase,1998 pp1486-8.</comment><reference>j 3/78</reference><elements><element K="2" /><element S="1" /></elements><condensed>True</condensed><molecular_weight>0.1102616</molecular_weight><hf298.15>-376560.000</hf298.15><T_range Thigh="600.0" Tlow="298.15"><a1>4.724669150e+04</a1><a2>-4.465995260e+02</a2><a3>9.600035840e+00</a3><a4>7.836273870e-04</a4><a5>1.295338974e-06</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-4.549501380e+04</b1><b2>-4.238203950e+01</b2></T_range><T_range Thigh="1050.0" Tlow="600.0"><a1>1.237549376e+09</a1><a2>-7.863379810e+06</a2><a3>1.968151557e+04</a3><a4>-2.415909047e+01</a4><a5>1.451020806e-02</a5><a6>-3.388041040e-06</a6><a7>0.000000000e+00</a7><b1>4.392639800e+07</b1><b2>-1.251401185e+05</b2></T_range></specie><specie inp_file_name="K2S(cr)"><identification><InChIKey>DPLVEEXVKBWGHE-UHFFFAOYSA-N</InChIKey><canonical_smiles>[S-2].[K+].[K+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dipotassium;sulfide</IUPAC_name></identification><comment>Above lambda. Chase,1998 pp1486-8.</comment><reference>j 3/78</reference><elements><element K="2" /><element S="1" /></elements><condensed>True</condensed><molecular_weight>0.1102616</molecular_weight><hf298.15>-376560.000</hf298.15><T_range Thigh="1100.0" Tlow="1050.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.564212060e+02</a3><a4>-1.266383838e-01</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.311392922e+05</b1><b2>-9.279088390e+02</b2></T_range><T_range Thigh="1221.0" Tlow="1100.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.711898382e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-5.452307000e+04</b1><b2>-9.166848070e+01</b2></T_range></specie><specie inp_file_name="K2S(L)"><identification><InChIKey>DPLVEEXVKBWGHE-UHFFFAOYSA-N</InChIKey><canonical_smiles>[S-2].[K+].[K+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dipotassium;sulfide</IUPAC_name></identification><comment>Chase,1998 pp1486-8.</comment><reference>j 3/78</reference><elements><element K="2" /><element S="1" /></elements><condensed>True</condensed><molecular_weight>0.1102616</molecular_weight><hf298.15>-376560.000</hf298.15><T_range Thigh="6000.0" Tlow="1221.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.214261815e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-4.650451120e+04</b1><b2>-5.470849197e+01</b2></T_range></specie><specie inp_file_name="K2SO4(II)"><identification><InChIKey>OTYBMLCTZGSZBG-UHFFFAOYSA-L</InChIKey><canonical_smiles>[O-]S(=O)(=O)[O-].[K+].[K+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dipotassium;sulfate</IUPAC_name></identification><comment>Rhombic. Gurvich,1982 pt1 p402 pt2 p428.</comment><reference>tpis82</reference><elements><element K="2" /><element S="1" /><element O="4" /></elements><condensed>True</condensed><molecular_weight>0.1742592</molecular_weight><hf298.15>-1437700.000</hf298.15><T_range Thigh="500.0" Tlow="200.0"><a1>7.718871240e+06</a1><a2>-1.416712413e+05</a2><a3>1.060181562e+03</a3><a4>-4.031007910e+00</a4><a5>8.614683760e-03</a5><a6>-9.611228510e-06</a6><a7>4.397898620e-09</a7><b1>4.640403120e+05</b1><b2>-5.555950140e+03</b2></T_range><T_range Thigh="857.0" Tlow="500.0"><a1>-4.858415070e+04</a1><a2>0.000000000e+00</a2><a3>1.165680854e+01</a3><a4>1.576835485e-02</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.772539211e+05</b1><b2>-5.027549500e+01</b2></T_range></specie><specie inp_file_name="K2SO4(I)"><identification><InChIKey>OTYBMLCTZGSZBG-UHFFFAOYSA-L</InChIKey><canonical_smiles>[O-]S(=O)(=O)[O-].[K+].[K+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dipotassium;sulfate</IUPAC_name></identification><comment>Hexagonal. Gurvich,1982 pt1 p402 pt2 p428.</comment><reference>tpis82</reference><elements><element K="2" /><element S="1" /><element O="4" /></elements><condensed>True</condensed><molecular_weight>0.1742592</molecular_weight><hf298.15>-1437700.000</hf298.15><T_range Thigh="1342.0" Tlow="857.0"><a1>1.683008379e+07</a1><a2>0.000000000e+00</a2><a3>-3.453625048e+01</a3><a4>4.086410384e-02</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.262250083e+05</b1><b2>2.527928284e+02</b2></T_range></specie><specie inp_file_name="K2SO4(L)"><identification><InChIKey>OTYBMLCTZGSZBG-UHFFFAOYSA-L</InChIKey><canonical_smiles>[O-]S(=O)(=O)[O-].[K+].[K+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dipotassium;sulfate</IUPAC_name></identification><comment>Liquid. Gurvich,1982 pt1 p402 pt2 p428.</comment><reference>tpis82</reference><elements><element K="2" /><element S="1" /><element O="4" /></elements><condensed>True</condensed><molecular_weight>0.1742592</molecular_weight><hf298.15>-1437700.000</hf298.15><T_range Thigh="6000.0" Tlow="1342.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.405433393e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.762313671e+05</b1><b2>-1.157513010e+02</b2></T_range></specie><specie inp_file_name="K2SiO3(cr)"><identification><InChIKey>NNHHDJVEYQHLHG-UHFFFAOYSA-N</InChIKey><canonical_smiles>[O-][Si](=O)[O-].[K+].[K+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dipotassium;dioxido(oxo)silane</IUPAC_name></identification><comment>Rhombic. Gurvich,1982 pt1 p412 pt2 p436.</comment><reference>tpis82</reference><elements><element K="2" /><element Si="1" /><element O="3" /></elements><condensed>True</condensed><molecular_weight>0.1542803</molecular_weight><hf298.15>-1543000.000</hf298.15><T_range Thigh="500.0" Tlow="200.0"><a1>2.855673428e+06</a1><a2>-5.059971270e+04</a2><a3>3.647712840e+02</a3><a4>-1.277216470e+00</a4><a5>2.614874944e-03</a5><a6>-2.812883261e-06</a6><a7>1.248415754e-09</a7><b1>4.217450990e+04</b1><b2>-1.927446205e+03</b2></T_range><T_range Thigh="1249.0" Tlow="500.0"><a1>-1.541934726e+05</a1><a2>0.000000000e+00</a2><a3>1.400996506e+01</a3><a4>6.254878280e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.905514472e+05</b1><b2>-6.499565930e+01</b2></T_range></specie><specie inp_file_name="K2SiO3(L)"><identification><InChIKey>NNHHDJVEYQHLHG-UHFFFAOYSA-N</InChIKey><canonical_smiles>[O-][Si](=O)[O-].[K+].[K+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dipotassium;dioxido(oxo)silane</IUPAC_name></identification><comment>Liquid. Gurvich,1982 pt1 p412 pt2 p436.</comment><reference>tpis82</reference><elements><element K="2" /><element Si="1" /><element O="3" /></elements><condensed>True</condensed><molecular_weight>0.1542803</molecular_weight><hf298.15>-1543000.000</hf298.15><T_range Thigh="6000.0" Tlow="1249.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.285161723e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.941869756e+05</b1><b2>-1.182498589e+02</b2></T_range></specie><specie inp_file_name="K2Si2O5(a)"><identification><InChIKey>QQUPHDGGHUDUKR-UHFFFAOYSA-N</InChIKey><canonical_smiles>[O-][Si](=O)O[Si](=O)[O-].[K+].[K+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dipotassium;oxido-[oxido(oxo)silyl]oxy-oxosilane</IUPAC_name></identification><comment>III. Gurvich,1982 pt1 p413 pt2 p437.</comment><reference>tpis82</reference><elements><element K="2" /><element Si="2" /><element O="5" /></elements><condensed>True</condensed><molecular_weight>0.2143646</molecular_weight><hf298.15>-2505000.000</hf298.15><T_range Thigh="510.0" Tlow="200.0"><a1>-1.332332468e+07</a1><a2>2.509615155e+05</a2><a3>-1.911732601e+03</a3><a4>7.658564980e+00</a4><a5>-1.652056677e-02</a5><a6>1.854450564e-05</a6><a7>-8.489711240e-09</a7><b1>-1.432942804e+06</b1><b2>9.985815260e+03</b2></T_range></specie><specie inp_file_name="K2Si2O5(b)"><identification><InChIKey>QQUPHDGGHUDUKR-UHFFFAOYSA-N</InChIKey><canonical_smiles>[O-][Si](=O)O[Si](=O)[O-].[K+].[K+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dipotassium;oxido-[oxido(oxo)silyl]oxy-oxosilane</IUPAC_name></identification><comment>II. Gurvich,1982 pt1 p413 pt2 p437.</comment><reference>tpis82</reference><elements><element K="2" /><element Si="2" /><element O="5" /></elements><condensed>True</condensed><molecular_weight>0.2143646</molecular_weight><hf298.15>-2505000.000</hf298.15><T_range Thigh="867.0" Tlow="510.0"><a1>-1.201153165e+05</a1><a2>0.000000000e+00</a2><a3>1.900352516e+01</a3><a4>1.092379467e-02</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-3.078422822e+05</b1><b2>-8.941094441e+01</b2></T_range></specie><specie inp_file_name="K2Si2O5(c)"><identification><InChIKey>QQUPHDGGHUDUKR-UHFFFAOYSA-N</InChIKey><canonical_smiles>[O-][Si](=O)O[Si](=O)[O-].[K+].[K+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dipotassium;oxido-[oxido(oxo)silyl]oxy-oxosilane</IUPAC_name></identification><comment>I. Gurvich,1982 pt1 p413 pt2 p437.</comment><reference>tpis82</reference><elements><element K="2" /><element Si="2" /><element O="5" /></elements><condensed>True</condensed><molecular_weight>0.2143646</molecular_weight><hf298.15>-2505000.000</hf298.15><T_range Thigh="1318.0" Tlow="867.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.696791513e+01</a3><a4>5.313602365e-04</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-3.105104930e+05</b1><b2>-1.339782607e+02</b2></T_range></specie><specie inp_file_name="K2Si2O5(L)"><identification><InChIKey>QQUPHDGGHUDUKR-UHFFFAOYSA-N</InChIKey><canonical_smiles>[O-][Si](=O)O[Si](=O)[O-].[K+].[K+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dipotassium;oxido-[oxido(oxo)silyl]oxy-oxosilane</IUPAC_name></identification><comment>Gurvich,1982 pt1 p413 pt2 p437.</comment><reference>tpis82</reference><elements><element K="2" /><element Si="2" /><element O="5" /></elements><condensed>True</condensed><molecular_weight>0.2143646</molecular_weight><hf298.15>-2505000.000</hf298.15><T_range Thigh="6000.0" Tlow="1318.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>3.307470915e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-3.138641654e+05</b1><b2>-1.739362353e+02</b2></T_range></specie><specie inp_file_name="K3AlF6(II)"><identification><InChIKey>ZIZQEDPMQXFXTE-UHFFFAOYSA-H</InChIKey><canonical_smiles>[F-].[F-].[F-].[F-].[F-].[F-].[Al+3].[K+].[K+].[K+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>aluminum;tripotassium;hexafluoride</IUPAC_name></identification><comment>Tetragonal. Gurvich,1982 pt1 p418 pt2 p442.</comment><reference>tpis82</reference><elements><element K="3" /><element Al="1" /><element F="6" /></elements><condensed>True</condensed><molecular_weight>0.2582668572</molecular_weight><hf298.15>-3347000.000</hf298.15><T_range Thigh="600.0" Tlow="298.15"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.838593014e+01</a3><a4>2.828982105e-02</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-4.092884330e+05</b1><b2>-7.891279947e+01</b2></T_range></specie><specie inp_file_name="K3AlF6(I)"><identification><InChIKey>ZIZQEDPMQXFXTE-UHFFFAOYSA-H</InChIKey><canonical_smiles>[F-].[F-].[F-].[F-].[F-].[F-].[Al+3].[K+].[K+].[K+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>aluminum;tripotassium;hexafluoride</IUPAC_name></identification><comment>Cubic. Gurvich,1982 pt1 p418 pt2 p442.</comment><reference>tpis82</reference><elements><element K="3" /><element Al="1" /><element F="6" /></elements><condensed>True</condensed><molecular_weight>0.2582668572</molecular_weight><hf298.15>-3347000.000</hf298.15><T_range Thigh="1273.0" Tlow="600.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.893014742e+01</a3><a4>6.707551016e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-4.109483890e+05</b1><b2>-1.321111106e+02</b2></T_range></specie><specie inp_file_name="K3AlF6(L)"><identification><InChIKey>ZIZQEDPMQXFXTE-UHFFFAOYSA-H</InChIKey><canonical_smiles>[F-].[F-].[F-].[F-].[F-].[F-].[Al+3].[K+].[K+].[K+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>aluminum;tripotassium;hexafluoride</IUPAC_name></identification><comment>Liquid. Gurvich,1982 pt1 p418 pt2 p442.</comment><reference>tpis82</reference><elements><element K="3" /><element Al="1" /><element F="6" /></elements><condensed>True</condensed><molecular_weight>0.2582668572</molecular_weight><hf298.15>-3347000.000</hf298.15><T_range Thigh="6000.0" Tlow="1273.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>4.726676617e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-4.141107070e+05</b1><b2>-2.430801826e+02</b2></T_range></specie><specie inp_file_name="Li(cr)"><identification><InChIKey>WHXSMMKQMYFTQS-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Li]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>lithium</IUPAC_name></identification><comment>Crystal. Ref-Elm. Gurvich,1982 pt1 p245 pt2 p286.</comment><reference>tpis82</reference><elements><element Li="1" /></elements><condensed>True</condensed><molecular_weight>0.006941</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="298.15" Tlow="200.0"><a1>-9.860652350e+03</a1><a2>0.000000000e+00</a2><a3>2.304323850e+00</a3><a4>2.671663720e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-8.388536120e+02</b1><b2>-1.047881686e+01</b2></T_range><T_range Thigh="453.69" Tlow="298.15"><a1>7.238824960e+04</a1><a2>0.000000000e+00</a2><a3>1.570314469e-01</a3><a4>6.770404110e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.049497436e+02</b1><b2>9.961763140e-01</b2></T_range></specie><specie inp_file_name="Li(L)"><identification><InChIKey>WHXSMMKQMYFTQS-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Li]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>lithium</IUPAC_name></identification><comment>Liquid. Ref-Elm. Gurvich,1982 pt1 p245 pt2 p286.</comment><reference>tpis82</reference><elements><element Li="1" /></elements><condensed>True</condensed><molecular_weight>0.006941</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="6000.0" Tlow="453.69"><a1>2.465569228e+04</a1><a2>0.000000000e+00</a2><a3>3.755723428e+00</a3><a4>-6.332303407e-04</a4><a5>3.160739478e-07</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-7.299116690e+02</b1><b2>-1.701274654e+01</b2></T_range></specie><specie inp_file_name="LiAlO2(cr)"><identification><InChIKey>YQNQTEBHHUSESQ-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Li+].[O-][Al]=O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>lithium;oxido(oxo)alumane</IUPAC_name></identification><comment>Chase,1998 pp126-8.</comment><reference>j12/79</reference><elements><element Li="1" /><element Al="1" /><element O="2" /></elements><condensed>True</condensed><molecular_weight>0.06592133800000001</molecular_weight><hf298.15>-1188674.400</hf298.15><T_range Thigh="700.0" Tlow="200.0"><a1>-2.403553110e+06</a1><a2>4.191135380e+04</a2><a3>-2.947543676e+02</a3><a4>1.096024513e+00</a4><a5>-2.070932308e-03</a5><a6>1.989368601e-06</a6><a7>-7.643124070e-10</a7><b1>-3.359272460e+05</b1><b2>1.562056779e+03</b2></T_range><T_range Thigh="1973.0" Tlow="700.0"><a1>-1.440922218e+06</a1><a2>5.833386140e+03</a2><a3>-1.030268470e+00</a3><a4>1.461691077e-02</a4><a5>-7.831786240e-06</a5><a6>2.428705700e-09</a6><a7>-3.067767899e-13</a7><b1>-1.811607791e+05</b1><b2>2.012864902e+01</b2></T_range></specie><specie inp_file_name="LiAlO2(L)"><identification><InChIKey>YQNQTEBHHUSESQ-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Li+].[O-][Al]=O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>lithium;oxido(oxo)alumane</IUPAC_name></identification><comment>Chase,1998 pp126-8.</comment><reference>j12/79</reference><elements><element Li="1" /><element Al="1" /><element O="2" /></elements><condensed>True</condensed><molecular_weight>0.06592133800000001</molecular_weight><hf298.15>-1188674.400</hf298.15><T_range Thigh="6000.0" Tlow="1973.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.509649997e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.416553963e+05</b1><b2>-8.099434263e+01</b2></T_range></specie><specie inp_file_name="LiBO2(cr)"><identification><InChIKey>HZRMTWQRDMYLNW-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Li+].B(=O)[O-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>lithium;oxido(oxo)borane</IUPAC_name></identification><comment>Monoclinic. Gurvich,1982 pt1 p298 pt2 p331.</comment><reference>tpis82</reference><elements><element Li="1" /><element B="1" /><element O="2" /></elements><condensed>True</condensed><molecular_weight>0.0497508</molecular_weight><hf298.15>-1022900.000</hf298.15><T_range Thigh="500.0" Tlow="200.0"><a1>-1.298972763e+02</a1><a2>2.476112547e+03</a2><a3>-4.025475640e+01</a3><a4>2.755313951e-01</a4><a5>-7.202835830e-04</a5><a6>9.355885600e-07</a6><a7>-4.776147920e-10</a7><b1>-1.326385762e+05</b1><b2>1.863684915e+02</b2></T_range><T_range Thigh="1122.0" Tlow="500.0"><a1>-1.501059611e+05</a1><a2>0.000000000e+00</a2><a3>7.094387770e+00</a3><a4>5.990864950e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.259108022e+05</b1><b2>-3.688511780e+01</b2></T_range></specie><specie inp_file_name="LiBO2(L)"><identification><InChIKey>HZRMTWQRDMYLNW-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Li+].B(=O)[O-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>lithium;oxido(oxo)borane</IUPAC_name></identification><comment>Liquid. Gurvich,1982 pt1 p298 pt2 p331.</comment><reference>tpis82</reference><elements><element Li="1" /><element B="1" /><element O="2" /></elements><condensed>True</condensed><molecular_weight>0.0497508</molecular_weight><hf298.15>-1022900.000</hf298.15><T_range Thigh="6000.0" Tlow="1122.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.736722910e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.294550343e+05</b1><b2>-9.861468152e+01</b2></T_range></specie><specie inp_file_name="LiBr(cr)"><identification><InChIKey>AMXOYNBUYSYVKV-UHFFFAOYSA-M</InChIKey><canonical_smiles>[Li+].[Br-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>lithium;bromide</IUPAC_name></identification><comment>Cubic. Gurvich,1982 pt1 p284 pt2 p317.</comment><reference>tpis82</reference><elements><element Li="1" /><element Br="1" /></elements><condensed>True</condensed><molecular_weight>0.086845</molecular_weight><hf298.15>-351160.000</hf298.15><T_range Thigh="500.0" Tlow="200.0"><a1>3.743262690e+06</a1><a2>-7.020131930e+04</a2><a3>5.366833500e+02</a3><a4>-2.085864954e+00</a4><a5>4.508762520e-03</a5><a6>-5.086004120e-06</a6><a7>2.348146084e-09</a7><b1>2.721051038e+05</b1><b2>-2.801510974e+03</b2></T_range><T_range Thigh="823.0" Tlow="500.0"><a1>1.459008908e+04</a1><a2>0.000000000e+00</a2><a3>4.895008630e+00</a3><a4>3.134322823e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-4.378446420e+04</b1><b2>-1.984092688e+01</b2></T_range></specie><specie inp_file_name="LiBr(L)"><identification><InChIKey>AMXOYNBUYSYVKV-UHFFFAOYSA-M</InChIKey><canonical_smiles>[Li+].[Br-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>lithium;bromide</IUPAC_name></identification><comment>Liquid. Gurvich,1982 pt1 p284 pt2 p317.</comment><reference>tpis82</reference><elements><element Li="1" /><element Br="1" /></elements><condensed>True</condensed><molecular_weight>0.086845</molecular_weight><hf298.15>-351160.000</hf298.15><T_range Thigh="6000.0" Tlow="823.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>7.853740028e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-4.305174650e+04</b1><b2>-3.455318466e+01</b2></T_range></specie><specie inp_file_name="LiCl(cr)"><identification><InChIKey>KWGKDLIKAYFUFQ-UHFFFAOYSA-M</InChIKey><canonical_smiles>[Li+].[Cl-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>lithium;chloride</IUPAC_name></identification><comment>Cubic. Gurvich,1982 pt1 p279 pt2 p313.</comment><reference>tpis82</reference><elements><element Li="1" /><element Cl="1" /></elements><condensed>True</condensed><molecular_weight>0.042394</molecular_weight><hf298.15>-408540.000</hf298.15><T_range Thigh="500.0" Tlow="200.0"><a1>-2.180497685e+06</a1><a2>3.971320780e+04</a2><a3>-2.918258028e+02</a3><a4>1.160079971e+00</a4><a5>-2.482284097e-03</a5><a6>2.785692272e-06</a6><a7>-1.280897066e-09</a7><b1>-2.302427379e+05</b1><b2>1.533139994e+03</b2></T_range><T_range Thigh="883.0" Tlow="500.0"><a1>-3.595609330e+04</a1><a2>0.000000000e+00</a2><a3>5.480770500e+00</a3><a4>2.332209108e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-5.099411730e+04</b1><b2>-2.499631307e+01</b2></T_range></specie><specie inp_file_name="LiCl(L)"><identification><InChIKey>KWGKDLIKAYFUFQ-UHFFFAOYSA-M</InChIKey><canonical_smiles>[Li+].[Cl-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>lithium;chloride</IUPAC_name></identification><comment>Liquid. Gurvich,1982 pt1 p279 pt2 p313.</comment><reference>tpis82</reference><elements><element Li="1" /><element Cl="1" /></elements><condensed>True</condensed><molecular_weight>0.042394</molecular_weight><hf298.15>-408540.000</hf298.15><T_range Thigh="6000.0" Tlow="883.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>7.601169522e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-4.954114490e+04</b1><b2>-3.460716245e+01</b2></T_range></specie><specie inp_file_name="LiF(cr)"><identification><InChIKey>PQXKHYXIUOZZFA-UHFFFAOYSA-M</InChIKey><canonical_smiles>[Li+].[F-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>lithium;fluoride</IUPAC_name></identification><comment>Cubic. Gurvich,1982 pt1 p273 pt2 p309.</comment><reference>tpis82</reference><elements><element Li="1" /><element F="1" /></elements><condensed>True</condensed><molecular_weight>0.025939403200000002</molecular_weight><hf298.15>-618300.000</hf298.15><T_range Thigh="500.0" Tlow="200.0"><a1>9.636751230e+05</a1><a2>-1.777983613e+04</a2><a3>1.305502564e+02</a3><a4>-4.624287950e-01</a4><a5>9.558363610e-04</a5><a6>-1.037162482e-06</a6><a7>4.637142460e-10</a7><b1>5.186488570e+03</b1><b2>-6.901111630e+02</b2></T_range><T_range Thigh="1122.0" Tlow="500.0"><a1>-7.420484740e+04</a1><a2>0.000000000e+00</a2><a3>5.359396170e+00</a3><a4>1.623955670e-03</a4><a5>2.090115068e-07</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-7.628479220e+04</b1><b2>-2.715764184e+01</b2></T_range></specie><specie inp_file_name="LiF(L)"><identification><InChIKey>PQXKHYXIUOZZFA-UHFFFAOYSA-M</InChIKey><canonical_smiles>[Li+].[F-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>lithium;fluoride</IUPAC_name></identification><comment>Liquid. Gurvich,1982 pt1 p273 pt2 p309.</comment><reference>tpis82</reference><elements><element Li="1" /><element F="1" /></elements><condensed>True</condensed><molecular_weight>0.025939403200000002</molecular_weight><hf298.15>-618300.000</hf298.15><T_range Thigh="6000.0" Tlow="1122.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>7.673332524e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-7.443734250e+04</b1><b2>-3.852218670e+01</b2></T_range></specie><specie inp_file_name="LiH(cr)"><identification><InChIKey>SRTHRWZAMDZJOS-UHFFFAOYSA-N</InChIKey><canonical_smiles>[H-].[Li+]</canonical_smiles><cas_number>7580-67-8</cas_number><IUPAC_name>lithium;hydride</IUPAC_name></identification><comment>Cubic. Gurvich,1982 pt1 p263 pt2 p300.</comment><reference>tpis82</reference><elements><element Li="1" /><element H="1" /></elements><condensed>True</condensed><molecular_weight>0.00794894</molecular_weight><hf298.15>-90650.000</hf298.15><T_range Thigh="965.0" Tlow="200.0"><a1>-7.983399540e+03</a1><a2>-4.135167420e+02</a2><a3>3.842672410e+00</a3><a4>3.568427660e-03</a4><a5>3.560726720e-07</a5><a6>9.299007330e-10</a6><a7>-5.466520940e-13</a7><b1>-9.882374510e+03</b1><b2>-2.193513588e+01</b2></T_range></specie><specie inp_file_name="LiH(L)"><identification><InChIKey>SRTHRWZAMDZJOS-UHFFFAOYSA-N</InChIKey><canonical_smiles>[H-].[Li+]</canonical_smiles><cas_number>7580-67-8</cas_number><IUPAC_name>lithium;hydride</IUPAC_name></identification><comment>Liquid. Gurvich,1982 pt1 p263 pt2 p300.</comment><reference>tpis82</reference><elements><element Li="1" /><element H="1" /></elements><condensed>True</condensed><molecular_weight>0.00794894</molecular_weight><hf298.15>-90650.000</hf298.15><T_range Thigh="6000.0" Tlow="965.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>6.614941831e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.089088820e+04</b1><b2>-3.406734782e+01</b2></T_range></specie><specie inp_file_name="LiI(cr)"><identification><InChIKey>HSZCZNFXUDYRKD-UHFFFAOYSA-M</InChIKey><canonical_smiles>[Li+].[I-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>lithium;iodide</IUPAC_name></identification><comment>Cubic. Gurvich,1982 pt1 p287 pt2 p321.</comment><reference>tpis82</reference><elements><element Li="1" /><element I="1" /></elements><condensed>True</condensed><molecular_weight>0.13384547</molecular_weight><hf298.15>-273200.000</hf298.15><T_range Thigh="500.0" Tlow="200.0"><a1>-6.958662980e+04</a1><a2>4.035715450e+02</a2><a3>7.056546540e+00</a3><a4>-1.824255625e-02</a4><a5>6.907245220e-05</a5><a6>-9.841303530e-08</a6><a7>5.297565590e-11</a7><b1>-3.712485890e+04</b1><b2>-2.568066591e+01</b2></T_range><T_range Thigh="742.0" Tlow="500.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>5.248298340e+00</a3><a4>2.986457552e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-3.455573620e+04</b1><b2>-2.036433073e+01</b2></T_range></specie><specie inp_file_name="LiI(L)"><identification><InChIKey>HSZCZNFXUDYRKD-UHFFFAOYSA-M</InChIKey><canonical_smiles>[Li+].[I-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>lithium;iodide</IUPAC_name></identification><comment>Liquid. Gurvich,1982 pt1 p287 pt2 p321.</comment><reference>tpis82</reference><elements><element Li="1" /><element I="1" /></elements><condensed>True</condensed><molecular_weight>0.13384547</molecular_weight><hf298.15>-273200.000</hf298.15><T_range Thigh="6000.0" Tlow="742.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>7.601169522e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-3.371867140e+04</b1><b2>-3.132631144e+01</b2></T_range></specie><specie inp_file_name="LiNO2(II)"><identification><InChIKey>IDNHOWMYUQKKTI-UHFFFAOYSA-M</InChIKey><canonical_smiles>[Li+].N(=O)[O-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>lithium;nitrite</IUPAC_name></identification><comment>Crystal. Gurvich,1982 pt1 p292 pt2 p326.</comment><reference>tpis82</reference><elements><element Li="1" /><element N="1" /><element O="2" /></elements><condensed>True</condensed><molecular_weight>0.0529465</molecular_weight><hf298.15>-368300.000</hf298.15><T_range Thigh="369.0" Tlow="298.15"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>-1.026999787e+00</a3><a4>2.885846550e-02</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-4.527251980e+04</b1><b2>7.831186054e+00</b2></T_range></specie><specie inp_file_name="LiNO2(I)"><identification><InChIKey>IDNHOWMYUQKKTI-UHFFFAOYSA-M</InChIKey><canonical_smiles>[Li+].N(=O)[O-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>lithium;nitrite</IUPAC_name></identification><comment>Hexagonal. Gurvich,1982 pt1 p292 pt2 p326.</comment><reference>tpis82</reference><elements><element Li="1" /><element N="1" /><element O="2" /></elements><condensed>True</condensed><molecular_weight>0.0529465</molecular_weight><hf298.15>-368300.000</hf298.15><T_range Thigh="495.0" Tlow="369.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>9.621733572e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-4.703274180e+04</b1><b2>-4.390844045e+01</b2></T_range></specie><specie inp_file_name="LiNO2(L)"><identification><InChIKey>IDNHOWMYUQKKTI-UHFFFAOYSA-M</InChIKey><canonical_smiles>[Li+].N(=O)[O-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>lithium;nitrite</IUPAC_name></identification><comment>Liquid. Gurvich,1982 pt1 p292 pt2 p326.</comment><reference>tpis82</reference><elements><element Li="1" /><element N="1" /><element O="2" /></elements><condensed>True</condensed><molecular_weight>0.0529465</molecular_weight><hf298.15>-368300.000</hf298.15><T_range Thigh="6000.0" Tlow="495.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.082445027e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-4.652158720e+04</b1><b2>-4.913541343e+01</b2></T_range></specie><specie inp_file_name="LiNO3(cr)"><identification><InChIKey>IIPYXGDZVMZOAP-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Li+].[N+](=O)([O-])[O-]</canonical_smiles><cas_number>7790-69-4</cas_number><IUPAC_name>lithium;nitrate</IUPAC_name></identification><comment>Hexagonal. Gurvich,1982 pt1 p294 pt2 p328.</comment><reference>tpis82</reference><elements><element Li="1" /><element N="1" /><element O="3" /></elements><condensed>True</condensed><molecular_weight>0.06894589999999999</molecular_weight><hf298.15>-482700.000</hf298.15><T_range Thigh="526.0" Tlow="298.15"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.052906305e+01</a3><a4>-9.448181552e-03</a4><a5>3.365959028e-05</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-6.107180100e+04</b1><b2>-4.616118415e+01</b2></T_range></specie><specie inp_file_name="LiNO3(L)"><identification><InChIKey>IIPYXGDZVMZOAP-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Li+].[N+](=O)([O-])[O-]</canonical_smiles><cas_number>7790-69-4</cas_number><IUPAC_name>lithium;nitrate</IUPAC_name></identification><comment>Liquid. Gurvich,1982 pt1 p294 pt2 p328.</comment><reference>tpis82</reference><elements><element Li="1" /><element N="1" /><element O="3" /></elements><condensed>True</condensed><molecular_weight>0.06894589999999999</molecular_weight><hf298.15>-482700.000</hf298.15><T_range Thigh="6000.0" Tlow="525.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.792047878e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-6.162709200e+04</b1><b2>-8.706763908e+01</b2></T_range></specie><specie inp_file_name="LiOH(cr)"><identification><InChIKey>WMFOQBRAJBCJND-UHFFFAOYSA-M</InChIKey><canonical_smiles>[Li+].[OH-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>lithium;hydroxide</IUPAC_name></identification><comment>Tetragonal. Gurvich,1996b.</comment><reference>g 9/99</reference><elements><element Li="1" /><element O="1" /><element H="1" /></elements><condensed>True</condensed><molecular_weight>0.023948340000000002</molecular_weight><hf298.15>-487500.000</hf298.15><T_range Thigh="746.0" Tlow="200.0"><a1>-1.219596094e+06</a1><a2>2.088315832e+04</a2><a3>-1.463475951e+02</a3><a4>5.611592820e-01</a4><a5>-1.084380003e-03</a5><a6>1.071790003e-06</a6><a7>-4.218924790e-10</a7><b1>-1.553535026e+05</b1><b2>7.744131680e+02</b2></T_range></specie><specie inp_file_name="LiOH(L)"><identification><InChIKey>WMFOQBRAJBCJND-UHFFFAOYSA-M</InChIKey><canonical_smiles>[Li+].[OH-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>lithium;hydroxide</IUPAC_name></identification><comment>Liquid. Gurvich,1996b.</comment><reference>g 9/99</reference><elements><element Li="1" /><element O="1" /><element H="1" /></elements><condensed>True</condensed><molecular_weight>0.023948340000000002</molecular_weight><hf298.15>-487500.000</hf298.15><T_range Thigh="6000.0" Tlow="746.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.049971676e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-6.050280710e+04</b1><b2>-5.407387960e+01</b2></T_range></specie><specie inp_file_name="Li2CO3(cr)"><identification><InChIKey>XGZVUEUWXADBQD-UHFFFAOYSA-L</InChIKey><canonical_smiles>[Li+].[Li+].C(=O)([O-])[O-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dilithium;carbonate</IUPAC_name></identification><comment>Monoclinic. Gurvich,1982 pt1 p297 pt2 p330.</comment><reference>tpis82</reference><elements><element Li="2" /><element C="1" /><element O="3" /></elements><condensed>True</condensed><molecular_weight>0.0738909</molecular_weight><hf298.15>-1214100.000</hf298.15><T_range Thigh="500.0" Tlow="200.0"><a1>1.989594337e+07</a1><a2>-3.631706770e+05</a2><a3>2.691242782e+03</a3><a4>-1.033109020e+01</a4><a5>2.201400812e-02</a5><a6>-2.454585112e-05</a6><a7>1.122641035e-08</a7><b1>1.495415902e+06</b1><b2>-1.413251128e+04</b2></T_range><T_range Thigh="1005.0" Tlow="500.0"><a1>-5.276502280e+04</a1><a2>0.000000000e+00</a2><a3>7.025051540e+00</a3><a4>1.809479379e-02</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.490977245e+05</b1><b2>-3.487871400e+01</b2></T_range></specie><specie inp_file_name="Li2CO3(L)"><identification><InChIKey>XGZVUEUWXADBQD-UHFFFAOYSA-L</InChIKey><canonical_smiles>[Li+].[Li+].C(=O)([O-])[O-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dilithium;carbonate</IUPAC_name></identification><comment>Liquid. Gurvich,1982 pt1 p297 pt2 p330.</comment><reference>tpis82</reference><elements><element Li="2" /><element C="1" /><element O="3" /></elements><condensed>True</condensed><molecular_weight>0.0738909</molecular_weight><hf298.15>-1214100.000</hf298.15><T_range Thigh="6000.0" Tlow="1005.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.225025888e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.502292112e+05</b1><b2>-1.169607936e+02</b2></T_range></specie><specie inp_file_name="Li2O(cr)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Cubic. Gurvich,1982 pt1 p257 pt2 p295.</comment><reference>tpis82</reference><elements><element Li="2" /><element O="1" /></elements><condensed>True</condensed><molecular_weight>0.0298814</molecular_weight><hf298.15>-597880.000</hf298.15><T_range Thigh="800.0" Tlow="200.0"><a1>3.028110639e+05</a1><a2>-4.262752720e+03</a2><a3>1.838105970e+01</a3><a4>8.164277890e-03</a4><a5>-6.056855750e-05</a5><a6>8.533995130e-08</a6><a7>-3.737236310e-11</a7><b1>-5.206402060e+04</b1><b2>-1.132207799e+02</b2></T_range><T_range Thigh="1726.0" Tlow="800.0"><a1>-5.016824310e+06</a1><a2>2.420062743e+04</a2><a3>-4.101266390e+01</a3><a4>5.324367340e-02</a4><a5>-2.998210001e-05</a5><a6>1.063865942e-08</a6><a7>-1.399118443e-12</a7><b1>-2.158188563e+05</b1><b2>2.784406390e+02</b2></T_range></specie><specie inp_file_name="Li2O(L)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Liquid. Gurvich,1982 pt1 p257 pt2 p295.</comment><reference>tpis82</reference><elements><element Li="2" /><element O="1" /></elements><condensed>True</condensed><molecular_weight>0.0298814</molecular_weight><hf298.15>-597880.000</hf298.15><T_range Thigh="6000.0" Tlow="1726.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.250825364e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-7.338860760e+04</b1><b2>-6.881025076e+01</b2></T_range></specie><specie inp_file_name="Li2O2(cr)"><identification><InChIKey>LVMOAPBZKPBVSU-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Li].[Li+].[O-][O-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>lithium;lithium;peroxide</IUPAC_name></identification><comment>Hexagonal. Gurvich,1982 pt1 p261 pt2 p298.</comment><reference>tpis82</reference><elements><element Li="2" /><element O="2" /></elements><condensed>True</condensed><molecular_weight>0.0458808</molecular_weight><hf298.15>-632500.000</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>6.874488094e+00</a3><a4>7.197297255e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-7.844135590e+04</b1><b2>-3.433817812e+01</b2></T_range></specie><specie inp_file_name="Li2SO4(a)"><identification><InChIKey>INHCSSUBVCNVSK-UHFFFAOYSA-L</InChIKey><canonical_smiles>[Li+].[Li+].[O-]S(=O)(=O)[O-]</canonical_smiles><cas_number>10377-48-7</cas_number><IUPAC_name>dilithium;sulfate</IUPAC_name></identification><comment>Alpha. Gurvich,1982 pt1 p291 pt2 p325.</comment><reference>tpis82</reference><elements><element Li="2" /><element S="1" /><element O="4" /></elements><condensed>True</condensed><molecular_weight>0.10994459999999999</molecular_weight><hf298.15>-1436000.000</hf298.15><T_range Thigh="500.0" Tlow="200.0"><a1>2.307314336e+07</a1><a2>-4.440850530e+05</a2><a3>3.473570360e+03</a3><a4>-1.406997202e+01</a4><a5>3.151077609e-02</a5><a6>-3.672532150e-05</a6><a7>1.742494307e-08</a7><b1>1.810572013e+06</b1><b2>-1.805254507e+04</b2></T_range><T_range Thigh="848.0" Tlow="500.0"><a1>1.379684430e+06</a1><a2>0.000000000e+00</a2><a3>-7.865353280e+01</a3><a4>4.280849920e-01</a4><a5>-6.782300830e-04</a5><a6>3.795553140e-07</a6><a7>0.000000000e+00</a7><b1>-1.584238676e+05</b1><b2>3.687429570e+02</b2></T_range></specie><specie inp_file_name="Li2SO4(b)"><identification><InChIKey>INHCSSUBVCNVSK-UHFFFAOYSA-L</InChIKey><canonical_smiles>[Li+].[Li+].[O-]S(=O)(=O)[O-]</canonical_smiles><cas_number>10377-48-7</cas_number><IUPAC_name>dilithium;sulfate</IUPAC_name></identification><comment>Beta. Gurvich,1982 pt1 p291 pt2 p325.</comment><reference>tpis82</reference><elements><element Li="2" /><element S="1" /><element O="4" /></elements><condensed>True</condensed><molecular_weight>0.10994459999999999</molecular_weight><hf298.15>-1436000.000</hf298.15><T_range Thigh="1131.0" Tlow="848.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.621922398e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.809832398e+05</b1><b2>-1.396630415e+02</b2></T_range></specie><specie inp_file_name="Li2SO4(L)"><identification><InChIKey>INHCSSUBVCNVSK-UHFFFAOYSA-L</InChIKey><canonical_smiles>[Li+].[Li+].[O-]S(=O)(=O)[O-]</canonical_smiles><cas_number>10377-48-7</cas_number><IUPAC_name>dilithium;sulfate</IUPAC_name></identification><comment>Liquid. Gurvich,1982 pt1 p291 pt2 p325.</comment><reference>tpis82</reference><elements><element Li="2" /><element S="1" /><element O="4" /></elements><condensed>True</condensed><molecular_weight>0.10994459999999999</molecular_weight><hf298.15>-1436000.000</hf298.15><T_range Thigh="6000.0" Tlow="1131.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.465569228e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.780963589e+05</b1><b2>-1.276811017e+02</b2></T_range></specie><specie inp_file_name="Li3AlF6(IV)"><identification><InChIKey>VRSRNLHMYUACMN-UHFFFAOYSA-H</InChIKey><canonical_smiles>[Li+].[Li+].[Li+].[F-].[F-].[F-].[F-].[F-].[F-].[Al+3]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>aluminum;trilithium;hexafluoride</IUPAC_name></identification><comment>Rhombic. Gurvich,1982 pt1 p301 pt2 p334.</comment><reference>tpis82</reference><elements><element Li="3" /><element Al="1" /><element F="6" /></elements><condensed>True</condensed><molecular_weight>0.1617949572</molecular_weight><hf298.15>-3389600.000</hf298.15><T_range Thigh="500.0" Tlow="200.0"><a1>-9.493305210e+05</a1><a2>1.726015181e+04</a2><a3>-1.388395633e+02</a3><a4>7.441178510e-01</a4><a5>-1.715868367e-03</a5><a6>2.058073373e-06</a6><a7>-9.983283300e-10</a7><b1>-4.893133340e+05</b1><b2>7.043980840e+02</b2></T_range><T_range Thigh="788.0" Tlow="500.0"><a1>-3.361898910e+05</a1><a2>0.000000000e+00</a2><a3>2.259884943e+01</a3><a4>2.065859808e-02</a4><a5>-6.977943650e-06</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-4.163946960e+05</b1><b2>-1.138999049e+02</b2></T_range></specie><specie inp_file_name="Li3AlF6(III)"><identification><InChIKey>VRSRNLHMYUACMN-UHFFFAOYSA-H</InChIKey><canonical_smiles>[Li+].[Li+].[Li+].[F-].[F-].[F-].[F-].[F-].[F-].[Al+3]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>aluminum;trilithium;hexafluoride</IUPAC_name></identification><comment>Tetragonal. Gurvich,1982 pt1 p301 pt2 p334.</comment><reference>tpis82</reference><elements><element Li="3" /><element Al="1" /><element F="6" /></elements><condensed>True</condensed><molecular_weight>0.1617949572</molecular_weight><hf298.15>-3389600.000</hf298.15><T_range Thigh="873.0" Tlow="788.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>3.427742585e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-4.195341580e+05</b1><b2>-1.769490331e+02</b2></T_range></specie><specie inp_file_name="Li3AlF6(II)"><identification><InChIKey>VRSRNLHMYUACMN-UHFFFAOYSA-H</InChIKey><canonical_smiles>[Li+].[Li+].[Li+].[F-].[F-].[F-].[F-].[F-].[F-].[Al+3]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>aluminum;trilithium;hexafluoride</IUPAC_name></identification><comment>Cubic. Gurvich,1982 pt1 p301 pt2 p334.</comment><reference>tpis82</reference><elements><element Li="3" /><element Al="1" /><element F="6" /></elements><condensed>True</condensed><molecular_weight>0.1617949572</molecular_weight><hf298.15>-3389600.000</hf298.15><T_range Thigh="978.0" Tlow="873.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>3.548014255e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-4.202233150e+05</b1><b2>-1.846804483e+02</b2></T_range></specie><specie inp_file_name="Li3AlF6(I)"><identification><InChIKey>VRSRNLHMYUACMN-UHFFFAOYSA-H</InChIKey><canonical_smiles>[Li+].[Li+].[Li+].[F-].[F-].[F-].[F-].[F-].[F-].[Al+3]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>aluminum;trilithium;hexafluoride</IUPAC_name></identification><comment>Crystal. Gurvich,1982 pt1 p301 pt2 p334.</comment><reference>tpis82</reference><elements><element Li="3" /><element Al="1" /><element F="6" /></elements><condensed>True</condensed><molecular_weight>0.1617949572</molecular_weight><hf298.15>-3389600.000</hf298.15><T_range Thigh="1058.0" Tlow="978.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>3.343552416e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-4.172975860e+05</b1><b2>-1.696552845e+02</b2></T_range></specie><specie inp_file_name="Li3AlF6(L)"><identification><InChIKey>VRSRNLHMYUACMN-UHFFFAOYSA-H</InChIKey><canonical_smiles>[Li+].[Li+].[Li+].[F-].[F-].[F-].[F-].[F-].[F-].[Al+3]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>aluminum;trilithium;hexafluoride</IUPAC_name></identification><comment>Liquid. Gurvich,1982 pt1 p301 pt2 p334.</comment><reference>tpis82</reference><elements><element Li="3" /><element Al="1" /><element F="6" /></elements><condensed>True</condensed><molecular_weight>0.1617949572</molecular_weight><hf298.15>-3389600.000</hf298.15><T_range Thigh="6000.0" Tlow="1058.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>4.642486448e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-4.204684280e+05</b1><b2>-2.501224871e+02</b2></T_range></specie><specie inp_file_name="Li3N(cr)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Chase,1998 p1526.</comment><reference>j 3/78</reference><elements><element Li="3" /><element N="1" /></elements><condensed>True</condensed><molecular_weight>0.034829700000000005</molecular_weight><hf298.15>-164557.000</hf298.15><T_range Thigh="700.0" Tlow="200.0"><a1>1.373485590e+06</a1><a2>-2.379184204e+04</a2><a3>1.591917968e+02</a3><a4>-4.823554940e-01</a4><a5>8.557283860e-04</a5><a6>-7.626448860e-07</a6><a7>2.741510774e-10</a7><b1>8.816502990e+04</b1><b2>-8.595793090e+02</b2></T_range><T_range Thigh="1300.0" Tlow="700.0"><a1>-1.241718958e+08</a1><a2>7.830020910e+05</a2><a3>-2.032330783e+03</a3><a4>2.815135927e+00</a4><a5>-2.148359487e-03</a5><a6>8.689521850e-07</a6><a7>-1.452735248e-10</a7><b1>-4.390747670e+06</b1><b2>1.278810396e+04</b2></T_range></specie><specie inp_file_name="Mg(cr)"><identification><InChIKey>JLVVSXFLKOJNIY-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Mg+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>magnesium(2+)</IUPAC_name></identification><comment>Hexagonal. Ref-Elm. Alcock,1993.</comment><reference>srd 93</reference><elements><element Mg="1" /></elements><condensed>True</condensed><molecular_weight>0.024305</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="298.15" Tlow="100.0"><a1>-5.412225134e+03</a1><a2>0.000000000e+00</a2><a3>1.458173723e+00</a3><a4>1.330204666e-02</a4><a5>-4.098858502e-05</a5><a6>4.754339101e-08</a6><a7>0.000000000e+00</a7><b1>-7.759472010e+02</b1><b2>-6.989702348e+00</b2></T_range><T_range Thigh="923.0" Tlow="298.15"><a1>-2.860060304e+04</a1><a2>0.000000000e+00</a2><a3>3.398877384e+00</a3><a4>-7.243962663e-04</a4><a5>1.405254188e-06</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.089519906e+03</b1><b2>-1.545973664e+01</b2></T_range></specie><specie inp_file_name="Mg(L)"><identification><InChIKey>JLVVSXFLKOJNIY-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Mg+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>magnesium(2+)</IUPAC_name></identification><comment>Liquid. Ref-Elm. Alcock,1993.</comment><reference>srd 93</reference><elements><element Mg="1" /></elements><condensed>True</condensed><molecular_weight>0.024305</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="6000.0" Tlow="923.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>4.125318269e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-6.589919480e+02</b1><b2>-1.937828582e+01</b2></T_range></specie><specie inp_file_name="MgAl2O4(cr)"><identification><InChIKey>VPBIQXABTCDMAU-UHFFFAOYSA-N</InChIKey><canonical_smiles>[O-][Al]=O.[O-][Al]=O.[Mg+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>magnesium;oxido(oxo)alumane</IUPAC_name></identification><comment>Crystal. Chase,1998 pp147-9.</comment><reference>j12/79</reference><elements><element Mg="1" /><element Al="2" /><element O="4" /></elements><condensed>True</condensed><molecular_weight>0.142265676</molecular_weight><hf298.15>-2299110.000</hf298.15><T_range Thigh="800.0" Tlow="200.0"><a1>9.746254450e+05</a1><a2>-1.525021312e+04</a2><a3>8.302860630e+01</a3><a4>-1.382241614e-01</a4><a5>1.657566530e-04</a5><a6>-9.668302460e-08</a6><a7>2.170561037e-11</a7><b1>-2.062543046e+05</b1><b2>-4.734083400e+02</b2></T_range><T_range Thigh="2408.0" Tlow="800.0"><a1>-7.339625410e+05</a1><a2>1.248275880e+03</a2><a3>1.548493786e+01</a3><a4>6.232746800e-03</a4><a5>-9.669121680e-07</a5><a6>2.487422341e-10</a6><a7>-2.603898110e-14</a7><b1>-2.909147610e+05</b1><b2>-7.914855130e+01</b2></T_range></specie><specie inp_file_name="MgAl2O4(L)"><identification><InChIKey>VPBIQXABTCDMAU-UHFFFAOYSA-N</InChIKey><canonical_smiles>[O-][Al]=O.[O-][Al]=O.[Mg+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>magnesium;oxido(oxo)alumane</IUPAC_name></identification><comment>Liquid. Chase,1998 pp147-9.</comment><reference>j12/79</reference><elements><element Mg="1" /><element Al="2" /><element O="4" /></elements><condensed>True</condensed><molecular_weight>0.142265676</molecular_weight><hf298.15>-2299110.000</hf298.15><T_range Thigh="6000.0" Tlow="2408.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.641887495e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-2.688320250e+05</b1><b2>-1.419843893e+02</b2></T_range></specie><specie inp_file_name="MgBr2(cr)"><identification><InChIKey>OTCKOJUMXQWKQG-UHFFFAOYSA-L</InChIKey><canonical_smiles>[Mg+2].[Br-].[Br-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>magnesium;dibromide</IUPAC_name></identification><comment>Hexagonal. Gurvich,1996a pt1 p418 pt2 p332.</comment><reference>tpis96</reference><elements><element Mg="1" /><element Br="2" /></elements><condensed>True</condensed><molecular_weight>0.184113</molecular_weight><hf298.15>-526000.000</hf298.15><T_range Thigh="984.0" Tlow="298.15"><a1>-6.657036915e+04</a1><a2>0.000000000e+00</a2><a3>9.124771033e+00</a3><a4>1.443260036e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-6.627087500e+04</b1><b2>-3.872222733e+01</b2></T_range></specie><specie inp_file_name="MgBr2(L)"><identification><InChIKey>OTCKOJUMXQWKQG-UHFFFAOYSA-L</InChIKey><canonical_smiles>[Mg+2].[Br-].[Br-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>magnesium;dibromide</IUPAC_name></identification><comment>Liquid. Gurvich,1996a pt1 p418 pt2 p332.</comment><reference>tpis96</reference><elements><element Mg="1" /><element Br="2" /></elements><condensed>True</condensed><molecular_weight>0.184113</molecular_weight><hf298.15>-526000.000</hf298.15><T_range Thigh="6000.0" Tlow="984.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.202716696e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-6.363378060e+04</b1><b2>-5.246637684e+01</b2></T_range></specie><specie inp_file_name="MgCO3(cr)"><identification><InChIKey>ZLNQQNXFFQJAID-UHFFFAOYSA-L</InChIKey><canonical_smiles>C(=O)([O-])[O-].[Mg+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>magnesium;carbonate</IUPAC_name></identification><comment>Hexagonal. Gurvich,1996a pt1 p429 pt2 p341.</comment><reference>tpis96</reference><elements><element Mg="1" /><element C="1" /><element O="3" /></elements><condensed>True</condensed><molecular_weight>0.0843139</molecular_weight><hf298.15>-1096000.000</hf298.15><T_range Thigh="500.0" Tlow="200.0"><a1>-5.649471920e+06</a1><a2>1.059809340e+05</a2><a3>-8.095953810e+02</a3><a4>3.267992680e+00</a4><a5>-7.111639940e-03</a5><a6>8.088247340e-06</a6><a7>-3.758639920e-09</a7><b1>-6.098528470e+05</b1><b2>4.221968000e+03</b2></T_range><T_range Thigh="1263.0" Tlow="500.0"><a1>-1.743337852e+05</a1><a2>0.000000000e+00</a2><a3>8.820122894e+00</a3><a4>7.696184141e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.353742560e+05</b1><b2>-4.570039759e+01</b2></T_range></specie><specie inp_file_name="MgCO3(L)"><identification><InChIKey>ZLNQQNXFFQJAID-UHFFFAOYSA-L</InChIKey><canonical_smiles>C(=O)([O-])[O-].[Mg+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>magnesium;carbonate</IUPAC_name></identification><comment>Liquid. Gurvich,1996a pt1 p429 pt2 p341.</comment><reference>tpis96</reference><elements><element Mg="1" /><element C="1" /><element O="3" /></elements><condensed>True</condensed><molecular_weight>0.0843139</molecular_weight><hf298.15>-1096000.000</hf298.15><T_range Thigh="6000.0" Tlow="1263.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.804075045e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.336474914e+05</b1><b2>-9.615384273e+01</b2></T_range></specie><specie inp_file_name="MgCl2(cr)"><identification><InChIKey>TWRXJAOTZQYOKJ-UHFFFAOYSA-L</InChIKey><canonical_smiles>[Mg+2].[Cl-].[Cl-]</canonical_smiles><cas_number>7786-30-3</cas_number><IUPAC_name>magnesium;dichloride</IUPAC_name></identification><comment>Hexagonal. Gurvich,1996a pt1 p413 pt2 p329.</comment><reference>tpis96</reference><elements><element Mg="1" /><element Cl="2" /></elements><condensed>True</condensed><molecular_weight>0.095211</molecular_weight><hf298.15>-644300.000</hf298.15><T_range Thigh="500.0" Tlow="200.0"><a1>3.151271437e+05</a1><a2>-4.986561670e+03</a2><a3>3.407490430e+01</a3><a4>-6.013327030e-02</a4><a5>7.256223640e-05</a5><a6>-2.984411528e-08</a6><a7>-5.064069590e-12</a7><b1>-5.608909370e+04</b1><b2>-1.833415814e+02</b2></T_range><T_range Thigh="987.0" Tlow="500.0"><a1>-7.745495525e+04</a1><a2>0.000000000e+00</a2><a3>9.099153167e+00</a3><a4>1.199709905e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-8.051706960e+04</b1><b2>-4.185795845e+01</b2></T_range></specie><specie inp_file_name="MgCl2(L)"><identification><InChIKey>TWRXJAOTZQYOKJ-UHFFFAOYSA-L</InChIKey><canonical_smiles>[Mg+2].[Cl-].[Cl-]</canonical_smiles><cas_number>7786-30-3</cas_number><IUPAC_name>magnesium;dichloride</IUPAC_name></identification><comment>Liquid. Gurvich,1996a pt1 p413 pt2 p329.</comment><reference>tpis96</reference><elements><element Mg="1" /><element Cl="2" /></elements><condensed>True</condensed><molecular_weight>0.095211</molecular_weight><hf298.15>-644300.000</hf298.15><T_range Thigh="6000.0" Tlow="987.0"><a1>7.120082843e+05</a1><a2>0.000000000e+00</a2><a3>1.060122605e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-7.543168500e+04</b1><b2>-4.537295861e+01</b2></T_range></specie><specie inp_file_name="MgF2(cr)"><identification><InChIKey>ORUIBWPALBXDOA-UHFFFAOYSA-L</InChIKey><canonical_smiles>[F-].[F-].[Mg+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>magnesium;difluoride</IUPAC_name></identification><comment>Tetragonal. Gurvich,1996a pt1 p410 pt2 p326.</comment><reference>tpis96</reference><elements><element Mg="1" /><element F="2" /></elements><condensed>True</condensed><molecular_weight>0.0623018064</molecular_weight><hf298.15>-1124200.000</hf298.15><T_range Thigh="500.0" Tlow="200.0"><a1>-8.758857470e+06</a1><a2>1.630690293e+05</a2><a3>-1.234784473e+03</a3><a4>4.913114430e+00</a4><a5>-1.064398199e-02</a5><a6>1.204196054e-05</a6><a7>-5.572295890e-09</a7><b1>-8.710379520e+05</b1><b2>6.452721700e+03</b2></T_range><T_range Thigh="1536.0" Tlow="500.0"><a1>-1.863609521e+05</a1><a2>0.000000000e+00</a2><a3>9.358338615e+00</a3><a4>4.871002621e-04</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.386463039e+05</b1><b2>-4.763420955e+01</b2></T_range></specie><specie inp_file_name="MgF2(L)"><identification><InChIKey>ORUIBWPALBXDOA-UHFFFAOYSA-L</InChIKey><canonical_smiles>[F-].[F-].[Mg+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>magnesium;difluoride</IUPAC_name></identification><comment>Liquid. Gurvich,1996a pt1 p410 pt2 p326.</comment><reference>tpis96</reference><elements><element Mg="1" /><element F="2" /></elements><condensed>True</condensed><molecular_weight>0.0623018064</molecular_weight><hf298.15>-1124200.000</hf298.15><T_range Thigh="6000.0" Tlow="1536.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.140175428e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.340531621e+05</b1><b2>-5.725828106e+01</b2></T_range></specie><specie inp_file_name="MgH2(b)"><identification><InChIKey>RHLWKNJTVXDVHU-UHFFFAOYSA-N</InChIKey><canonical_smiles>[H-].[H-].[Mg+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>magnesium;hydride</IUPAC_name></identification><comment>Beta,tetragonal. Gurvich,1996a pt1 p402 pt2 p321.</comment><reference>tpis96</reference><elements><element Mg="1" /><element H="2" /></elements><condensed>True</condensed><molecular_weight>0.026320879999999998</molecular_weight><hf298.15>-75700.000</hf298.15><T_range Thigh="600.0" Tlow="200.0"><a1>4.034912200e+06</a1><a2>-6.115400800e+04</a2><a3>3.537084270e+02</a3><a4>-9.554057160e-01</a4><a5>1.260522797e-03</a5><a6>-6.389211330e-07</a6><a7>0.000000000e+00</a7><b1>2.799920215e+05</b1><b2>-1.959491159e+03</b2></T_range></specie><specie inp_file_name="MgH2(L)"><identification><InChIKey>RHLWKNJTVXDVHU-UHFFFAOYSA-N</InChIKey><canonical_smiles>[H-].[H-].[Mg+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>magnesium;hydride</IUPAC_name></identification><comment>Liquid. Gurvich,1996a pt1 p402 pt2 p321.</comment><reference>tpis96</reference><elements><element Mg="1" /><element H="2" /></elements><condensed>True</condensed><molecular_weight>0.026320879999999998</molecular_weight><hf298.15>-75700.000</hf298.15><T_range Thigh="6000.0" Tlow="600.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>9.020375224e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.135051728e+04</b1><b2>-4.777194561e+01</b2></T_range></specie><specie inp_file_name="MgI2(cr)"><identification><InChIKey>BLQJIBCZHWBKSL-UHFFFAOYSA-L</InChIKey><canonical_smiles>[Mg+2].[I-].[I-]</canonical_smiles><cas_number>61349-42-6</cas_number><IUPAC_name>magnesium;diiodide</IUPAC_name></identification><comment>Hexagonal. Gurvich,1996a pt1 p422 pt2 p335.</comment><reference>tpis96</reference><elements><element Mg="1" /><element I="2" /></elements><condensed>True</condensed><molecular_weight>0.27811394</molecular_weight><hf298.15>-370000.000</hf298.15><T_range Thigh="906.0" Tlow="298.15"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>8.291528905e+00</a3><a4>2.232723275e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-4.707187430e+04</b1><b2>-3.179107057e+01</b2></T_range></specie><specie inp_file_name="MgI2(L)"><identification><InChIKey>BLQJIBCZHWBKSL-UHFFFAOYSA-L</InChIKey><canonical_smiles>[Mg+2].[I-].[I-]</canonical_smiles><cas_number>61349-42-6</cas_number><IUPAC_name>magnesium;diiodide</IUPAC_name></identification><comment>Liquid. Gurvich,1996a pt1 p422 pt2 p335.</comment><reference>tpis96</reference><elements><element Mg="1" /><element I="2" /></elements><condensed>True</condensed><molecular_weight>0.27811394</molecular_weight><hf298.15>-370000.000</hf298.15><T_range Thigh="6000.0" Tlow="906.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.202716696e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-4.641294920e+04</b1><b2>-5.175282479e+01</b2></T_range></specie><specie inp_file_name="MgO(cr)"><identification><InChIKey>CPLXHLVBOLITMK-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[Mg]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>oxomagnesium</IUPAC_name></identification><comment>Cubic Gurvich,1996a pt1 p397 pt2 p317.</comment><reference>tpis96</reference><elements><element Mg="1" /><element O="1" /></elements><condensed>True</condensed><molecular_weight>0.040304400000000004</molecular_weight><hf298.15>-601600.000</hf298.15><T_range Thigh="500.0" Tlow="200.0"><a1>-8.980784570e+05</a1><a2>1.771245421e+04</a2><a3>-1.449325747e+02</a3><a4>6.397591100e-01</a4><a5>-1.458346800e-03</a5><a6>1.715467374e-06</a6><a7>-8.183482370e-10</a7><b1>-1.516290864e+05</b1><b2>7.439009690e+02</b2></T_range><T_range Thigh="3100.0" Tlow="500.0"><a1>-1.169521716e+05</a1><a2>0.000000000e+00</a2><a3>5.510366817e+00</a3><a4>1.085932905e-03</a4><a5>-4.866191754e-07</a5><a6>1.253230798e-10</a6><a7>0.000000000e+00</a7><b1>-7.443482720e+04</b1><b2>-2.911564935e+01</b2></T_range></specie><specie inp_file_name="MgO(L)"><identification><InChIKey>CPLXHLVBOLITMK-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[Mg]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>oxomagnesium</IUPAC_name></identification><comment>Liquid Gurvich,1996a pt1 p397 pt2 p317.</comment><reference>tpis96</reference><elements><element Mg="1" /><element O="1" /></elements><condensed>True</condensed><molecular_weight>0.040304400000000004</molecular_weight><hf298.15>-601600.000</hf298.15><T_range Thigh="6000.0" Tlow="3100.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.010282025e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-7.609370840e+04</b1><b2>-6.076894048e+01</b2></T_range></specie><specie inp_file_name="Mg(OH)2(cr)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Hexagonal. Gurvich,1996a pt1 p405 pt2 p323.</comment><reference>tpis96</reference><elements><element Mg="1" /><element O="2" /><element H="2" /></elements><condensed>True</condensed><molecular_weight>0.05831968</molecular_weight><hf298.15>-924350.000</hf298.15><T_range Thigh="500.0" Tlow="200.0"><a1>-6.401451840e+05</a1><a2>8.358139990e+03</a2><a3>-3.971145400e+01</a3><a4>1.231927219e-01</a4><a5>-9.647800650e-05</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.537246903e+05</b1><b2>2.258495398e+02</b2></T_range><T_range Thigh="1000.0" Tlow="500.0"><a1>-5.543828430e+06</a1><a2>3.700868610e+04</a2><a3>-9.088623340e+01</a3><a4>1.431689186e-01</a4><a5>-9.513965240e-05</a5><a6>2.532586546e-08</a6><a7>0.000000000e+00</a7><b1>-3.189450890e+05</b1><b2>5.801638270e+02</b2></T_range></specie><specie inp_file_name="Mg(OH)2(L)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Liquid. Gurvich,1996a pt1 p405 pt2 p323.</comment><reference>tpis96</reference><elements><element Mg="1" /><element O="2" /><element H="2" /></elements><condensed>True</condensed><molecular_weight>0.05831968</molecular_weight><hf298.15>-924350.000</hf298.15><T_range Thigh="6000.0" Tlow="1100.0"><a1>-3.037581289e+05</a1><a2>0.000000000e+00</a2><a3>1.203462381e+01</a3><a4>2.202655358e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.158775486e+05</b1><b2>-6.333852645e+01</b2></T_range></specie><specie inp_file_name="MgS(cr)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Cubic. Gurvich,1996a pt1 p424 pt2 p337.</comment><reference>tpis96</reference><elements><element Mg="1" /><element S="1" /></elements><condensed>True</condensed><molecular_weight>0.056369999999999996</molecular_weight><hf298.15>-348000.000</hf298.15><T_range Thigh="500.0" Tlow="200.0"><a1>1.862529340e+06</a1><a2>-3.536941040e+04</a2><a3>2.721839670e+02</a3><a4>-1.042907730e+00</a4><a5>2.246733361e-03</a5><a6>-2.528313530e-06</a6><a7>1.164923631e-09</a7><b1>1.157121957e+05</b1><b2>-1.421776433e+03</b2></T_range><T_range Thigh="2500.0" Tlow="500.0"><a1>-2.774667419e+04</a1><a2>0.000000000e+00</a2><a3>5.477652922e+00</a3><a4>1.053219011e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-4.362757840e+04</b1><b2>-2.562621459e+01</b2></T_range></specie><specie inp_file_name="MgS(L)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Liquid. Gurvich,1996a pt1 p424 pt2 p337.</comment><reference>tpis96</reference><elements><element Mg="1" /><element S="1" /></elements><condensed>True</condensed><molecular_weight>0.056369999999999996</molecular_weight><hf298.15>-348000.000</hf298.15><T_range Thigh="6000.0" Tlow="2500.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>8.058201866e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-3.919942750e+04</b1><b2>-4.015043492e+01</b2></T_range></specie><specie inp_file_name="MgSO4(II)"><identification><InChIKey>CSNNHWWHGAXBCP-UHFFFAOYSA-L</InChIKey><canonical_smiles>[O-]S(=O)(=O)[O-].[Mg+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>magnesium;sulfate</IUPAC_name></identification><comment>CrII,rhombic. Gurvich,1996a pt1 p426 pt2 p339.</comment><reference>tpis96</reference><elements><element Mg="1" /><element S="1" /><element O="4" /></elements><condensed>True</condensed><molecular_weight>0.12036759999999999</molecular_weight><hf298.15>-1288800.000</hf298.15><T_range Thigh="500.0" Tlow="200.0"><a1>7.038799190e+06</a1><a2>-1.283866938e+05</a2><a3>9.464955820e+02</a3><a4>-3.562117130e+00</a4><a5>7.535844540e-03</a5><a6>-8.351428640e-06</a6><a7>3.800035070e-09</a7><b1>4.243566150e+05</b1><b2>-4.979377480e+03</b2></T_range><T_range Thigh="1283.0" Tlow="500.0"><a1>-1.403690656e+05</a1><a2>0.000000000e+00</a2><a3>1.024474082e+01</a3><a4>1.053279147e-02</a4><a5>-2.384385851e-06</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.589785092e+05</b1><b2>-5.117735953e+01</b2></T_range></specie><specie inp_file_name="MgSO4(I)"><identification><InChIKey>CSNNHWWHGAXBCP-UHFFFAOYSA-L</InChIKey><canonical_smiles>[O-]S(=O)(=O)[O-].[Mg+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>magnesium;sulfate</IUPAC_name></identification><comment>CrI,rhombic. Gurvich,1996a pt1 p426 pt2 p339.</comment><reference>tpis96</reference><elements><element Mg="1" /><element S="1" /><element O="4" /></elements><condensed>True</condensed><molecular_weight>0.12036759999999999</molecular_weight><hf298.15>-1288800.000</hf298.15><T_range Thigh="1410.0" Tlow="1283.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.864210880e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.622917080e+05</b1><b2>-9.940197517e+01</b2></T_range></specie><specie inp_file_name="MgSO4(L)"><identification><InChIKey>CSNNHWWHGAXBCP-UHFFFAOYSA-L</InChIKey><canonical_smiles>[O-]S(=O)(=O)[O-].[Mg+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>magnesium;sulfate</IUPAC_name></identification><comment>Liquid. Gurvich,1996a pt1 p426 pt2 p339.</comment><reference>tpis96</reference><elements><element Mg="1" /><element S="1" /><element O="4" /></elements><condensed>True</condensed><molecular_weight>0.12036759999999999</molecular_weight><hf298.15>-1288800.000</hf298.15><T_range Thigh="6000.0" Tlow="1410.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.864210880e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.605357417e+05</b1><b2>-9.815660894e+01</b2></T_range></specie><specie inp_file_name="MgSiO3(I)"><identification><InChIKey>FKHIFSZMMVMEQY-UHFFFAOYSA-N</InChIKey><canonical_smiles>[O-][Si](=O)[O-].[Mg+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>magnesium;dioxido(oxo)silane</IUPAC_name></identification><comment>Chase,1998 pp1540-2.</comment><reference>j12/67</reference><elements><element Mg="1" /><element Si="1" /><element O="3" /></elements><condensed>True</condensed><molecular_weight>0.1003887</molecular_weight><hf298.15>-1548916.800</hf298.15><T_range Thigh="903.0" Tlow="200.0"><a1>6.634624630e+05</a1><a2>-1.098828549e+04</a2><a3>6.661582640e+01</a3><a4>-1.408979556e-01</a4><a5>2.056144180e-04</a5><a6>-1.506280668e-07</a6><a7>4.456006950e-11</a7><b1>-1.365977193e+05</b1><b2>-3.704100780e+02</b2></T_range></specie><specie inp_file_name="MgSiO3(II)"><identification><InChIKey>FKHIFSZMMVMEQY-UHFFFAOYSA-N</InChIKey><canonical_smiles>[O-][Si](=O)[O-].[Mg+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>magnesium;dioxido(oxo)silane</IUPAC_name></identification><comment>Chase,1998 pp1540-2.</comment><reference>j12/67</reference><elements><element Mg="1" /><element Si="1" /><element O="3" /></elements><condensed>True</condensed><molecular_weight>0.1003887</molecular_weight><hf298.15>-1548916.800</hf298.15><T_range Thigh="1258.0" Tlow="903.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.447351774e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.916168640e+05</b1><b2>-7.665690420e+01</b2></T_range></specie><specie inp_file_name="MgSiO3(III)"><identification><InChIKey>FKHIFSZMMVMEQY-UHFFFAOYSA-N</InChIKey><canonical_smiles>[O-][Si](=O)[O-].[Mg+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>magnesium;dioxido(oxo)silane</IUPAC_name></identification><comment>Chase,1998 pp1540-2.</comment><reference>j12/67</reference><elements><element Mg="1" /><element Si="1" /><element O="3" /></elements><condensed>True</condensed><molecular_weight>0.1003887</molecular_weight><hf298.15>-1548916.800</hf298.15><T_range Thigh="1850.0" Tlow="1258.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.472512607e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.917371327e+05</b1><b2>-7.829669776e+01</b2></T_range></specie><specie inp_file_name="MgSiO3(L)"><identification><InChIKey>FKHIFSZMMVMEQY-UHFFFAOYSA-N</InChIKey><canonical_smiles>[O-][Si](=O)[O-].[Mg+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>magnesium;dioxido(oxo)silane</IUPAC_name></identification><comment>Chase,1998 pp1540-2.</comment><reference>j12/67</reference><elements><element Mg="1" /><element Si="1" /><element O="3" /></elements><condensed>True</condensed><molecular_weight>0.1003887</molecular_weight><hf298.15>-1548916.800</hf298.15><T_range Thigh="6000.0" Tlow="1850.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.761258330e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.880210286e+05</b1><b2>-9.512270574e+01</b2></T_range></specie><specie inp_file_name="MgTiO3(cr)"><identification><InChIKey>XSETZKVZGUWPFM-UHFFFAOYSA-N</InChIKey><canonical_smiles>[O-2].[O-2].[O-2].[Mg+2].[Ti+4]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>magnesium;oxygen(2-);titanium(4+)</IUPAC_name></identification><comment>Chase,1998 pp1543-5.</comment><reference>j 6/67</reference><elements><element Mg="1" /><element Ti="1" /><element O="3" /></elements><condensed>True</condensed><molecular_weight>0.12017019999999999</molecular_weight><hf298.15>-1572556.400</hf298.15><T_range Thigh="700.0" Tlow="200.0"><a1>7.429774000e+05</a1><a2>-1.292212821e+04</a2><a3>8.410507170e+01</a3><a4>-2.098263307e-01</a4><a5>3.615281930e-04</a5><a6>-3.238214780e-07</a6><a7>1.180955355e-10</a7><b1>-1.313766506e+05</b1><b2>-4.602729640e+02</b2></T_range><T_range Thigh="1953.0" Tlow="700.0"><a1>1.601922450e+05</a1><a2>-2.633226069e+03</a2><a3>1.883800780e+01</a3><a4>-1.678968165e-03</a4><a5>1.139243183e-06</a5><a6>-2.244954628e-10</a6><a7>2.663226969e-14</a7><b1>-1.791724552e+05</b1><b2>-1.059181291e+02</b2></T_range></specie><specie inp_file_name="MgTiO3(L)"><identification><InChIKey>XSETZKVZGUWPFM-UHFFFAOYSA-N</InChIKey><canonical_smiles>[O-2].[O-2].[O-2].[Mg+2].[Ti+4]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>magnesium;oxygen(2-);titanium(4+)</IUPAC_name></identification><comment>Chase,1998 pp1543-5.</comment><reference>j 6/67</reference><elements><element Mg="1" /><element Ti="1" /><element O="3" /></elements><condensed>True</condensed><molecular_weight>0.12017019999999999</molecular_weight><hf298.15>-1572556.400</hf298.15><T_range Thigh="6000.0" Tlow="1953.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.962544997e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.909134805e+05</b1><b2>-1.065587855e+02</b2></T_range></specie><specie inp_file_name="MgTi2O5(cr)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Todd,1952. Chase,1998 pp1550-1552 6/67.</comment><reference>g11/00</reference><elements><element Mg="1" /><element Ti="2" /><element O="5" /></elements><condensed>True</condensed><molecular_weight>0.200036</molecular_weight><hf298.15>-2508218.800</hf298.15><T_range Thigh="800.0" Tlow="200.0"><a1>1.244806767e+06</a1><a2>-2.122898938e+04</a2><a3>1.352816814e+02</a3><a4>-3.207171960e-01</a4><a5>5.056737150e-04</a5><a6>-4.075110600e-07</a6><a7>1.330675670e-10</a7><b1>-2.063427950e+05</b1><b2>-7.421883210e+02</b2></T_range><T_range Thigh="1963.0" Tlow="800.0"><a1>1.206826103e+06</a1><a2>-7.504042080e+03</a2><a3>3.472504430e+01</a3><a4>-9.398048060e-03</a4><a5>7.725115420e-06</a5><a6>-2.268307646e-09</a6><a7>2.728749772e-13</a7><b1>-2.651238294e+05</b1><b2>-1.981547532e+02</b2></T_range></specie><specie inp_file_name="MgTi2O5(L)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Todd,1952. Chase,1998 pp1550-1552 6/67.</comment><reference>g11/00</reference><elements><element Mg="1" /><element Ti="2" /><element O="5" /></elements><condensed>True</condensed><molecular_weight>0.200036</molecular_weight><hf298.15>-2508218.800</hf298.15><T_range Thigh="6000.0" Tlow="1963.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>3.140071995e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-3.039563022e+05</b1><b2>-1.685813857e+02</b2></T_range></specie><specie inp_file_name="Mg2SiO4(cr)"><identification><InChIKey>HCWCAKKEBCNQJP-UHFFFAOYSA-N</InChIKey><canonical_smiles>[O-][Si]([O-])([O-])[O-].[Mg+2].[Mg+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dimagnesium;silicate</IUPAC_name></identification><comment>Chase,1998 pp1556-8 12/67.</comment><reference>g11/00</reference><elements><element Mg="2" /><element Si="1" /><element O="4" /></elements><condensed>True</condensed><molecular_weight>0.1406931</molecular_weight><hf298.15>-2177078.400</hf298.15><T_range Thigh="800.0" Tlow="200.0"><a1>9.212035030e+05</a1><a2>-1.508156349e+04</a2><a3>9.085102220e+01</a3><a4>-1.898897815e-01</a4><a5>2.890690717e-04</a5><a6>-2.266693109e-07</a6><a7>7.230688250e-11</a7><b1>-1.936097830e+05</b1><b2>-5.059650070e+02</b2></T_range><T_range Thigh="2171.0" Tlow="800.0"><a1>3.714548590e+06</a1><a2>-2.041518891e+04</a2><a3>5.788009140e+01</a3><a4>-3.629874490e-02</a4><a5>2.183358474e-05</a5><a6>-6.504809080e-09</a6><a7>7.908133680e-13</a7><b1>-1.494870518e+05</b1><b2>-3.576608370e+02</b2></T_range></specie><specie inp_file_name="Mg2SiO4(L)"><identification><InChIKey>HCWCAKKEBCNQJP-UHFFFAOYSA-N</InChIKey><canonical_smiles>[O-][Si]([O-])([O-])[O-].[Mg+2].[Mg+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dimagnesium;silicate</IUPAC_name></identification><comment>Chase,1998 pp1556-8 12/67</comment><reference>g11/00</reference><elements><element Mg="2" /><element Si="1" /><element O="4" /></elements><condensed>True</condensed><molecular_weight>0.1406931</molecular_weight><hf298.15>-2177078.400</hf298.15><T_range Thigh="6000.0" Tlow="2170.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.465761662e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-2.669357683e+05</b1><b2>-1.346103798e+02</b2></T_range></specie><specie inp_file_name="Mg2TiO4(cr)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Chase,1998 pp1559-61 6/67.</comment><reference>g11/00</reference><elements><element Mg="2" /><element Ti="1" /><element O="4" /></elements><condensed>True</condensed><molecular_weight>0.16047460000000002</molecular_weight><hf298.15>-2164354.400</hf298.15><T_range Thigh="800.0" Tlow="200.0"><a1>9.956749990e+05</a1><a2>-1.724659186e+04</a2><a3>1.091877188e+02</a3><a4>-2.478088109e-01</a4><a5>3.830393010e-04</a5><a6>-3.022256428e-07</a6><a7>9.684735620e-11</a7><b1>-1.830794683e+05</b1><b2>-6.011710070e+02</b2></T_range><T_range Thigh="2013.0" Tlow="800.0"><a1>3.251168130e+05</a1><a2>-3.023737890e+03</a2><a3>2.335313762e+01</a3><a4>-5.057540210e-04</a4><a5>2.750958409e-06</a5><a6>-9.172292550e-10</a6><a7>1.089453371e-13</a7><b1>-2.490728250e+05</b1><b2>-1.278129303e+02</b2></T_range></specie><specie inp_file_name="Mg2TiO4(L)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Chase,1998 pp1559-61 6/67.</comment><reference>g11/00</reference><elements><element Mg="2" /><element Ti="1" /><element O="4" /></elements><condensed>True</condensed><molecular_weight>0.16047460000000002</molecular_weight><hf298.15>-2164354.400</hf298.15><T_range Thigh="6000.0" Tlow="2013.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.747562995e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-2.615257868e+05</b1><b2>-1.474539637e+02</b2></T_range></specie><specie inp_file_name="Mg3N2(cr)"><identification><InChIKey>HOLCHNGSKVBNSF-UHFFFAOYSA-N</InChIKey><canonical_smiles>[N-]=[Mg].[N-]=[Mg].[Mg+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>magnesium;azanidylidenemagnesium</IUPAC_name></identification><comment>Cubic. Gurvich,1996a pt1 p427 pt2 p340.</comment><reference>tpis96</reference><elements><element Mg="3" /><element N="2" /></elements><condensed>True</condensed><molecular_weight>0.1009284</molecular_weight><hf298.15>-461300.000</hf298.15><T_range Thigh="6000.0" Tlow="298.15"><a1>-3.313123684e+05</a1><a2>0.000000000e+00</a2><a3>1.448912804e+01</a3><a4>1.035659347e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-6.095851350e+04</b1><b2>-7.450243529e+01</b2></T_range></specie><specie inp_file_name="Mn(a)"><identification><InChIKey>PWHULOQIROXLJO-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Mn]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>manganese</IUPAC_name></identification><comment>Alpha. Ref-Elm. Chase,1998 pp1571-4.</comment><reference>j 9/67</reference><elements><element Mn="1" /></elements><condensed>True</condensed><molecular_weight>0.054938049</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="980.0" Tlow="200.0"><a1>-1.984724642e+04</a1><a2>1.808814126e+02</a2><a3>1.038289801e+00</a3><a4>8.813332010e-03</a4><a5>-1.298045968e-05</a5><a6>1.118858744e-08</a6><a7>-3.673641300e-12</a7><b1>-1.704143022e+03</b1><b2>-3.713160980e+00</b2></T_range></specie><specie inp_file_name="Mn(b)"><identification><InChIKey>PWHULOQIROXLJO-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Mn]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>manganese</IUPAC_name></identification><comment>Beta. Ref-Elm. Chase,1998 pp1571-4.</comment><reference>j 9/67</reference><elements><element Mn="1" /></elements><condensed>True</condensed><molecular_weight>0.054938049</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="1361.0" Tlow="980.0"><a1>-2.033299729e+08</a1><a2>8.595009270e+05</a2><a3>-1.444429639e+03</a3><a4>1.217025958e+00</a4><a5>-5.092264580e-04</a5><a6>8.499457640e-08</a6><a7>0.000000000e+00</a7><b1>-5.153128480e+06</b1><b2>9.753553620e+03</b2></T_range></specie><specie inp_file_name="Mn(c)"><identification><InChIKey>PWHULOQIROXLJO-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Mn]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>manganese</IUPAC_name></identification><comment>Gamma. Ref-Elm. Chase,1998 pp1571-4.</comment><reference>j 9/67</reference><elements><element Mn="1" /></elements><condensed>True</condensed><molecular_weight>0.054938049</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="1412.0" Tlow="1361.0"><a1>-5.539443490e+06</a1><a2>0.000000000e+00</a2><a3>1.249195042e+01</a3><a4>-3.172888290e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.319440868e+04</b1><b2>-7.701110710e+01</b2></T_range></specie><specie inp_file_name="Mn(d)"><identification><InChIKey>PWHULOQIROXLJO-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Mn]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>manganese</IUPAC_name></identification><comment>Delta. Ref-Elm. Chase,1998 pp1571-4.</comment><reference>j 9/67</reference><elements><element Mn="1" /></elements><condensed>True</condensed><molecular_weight>0.054938049</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="1519.0" Tlow="1412.0"><a1>-4.256613510e+06</a1><a2>0.000000000e+00</a2><a3>1.001289188e+01</a3><a4>-1.726727732e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.000110470e+04</b1><b2>-6.059129950e+01</b2></T_range></specie><specie inp_file_name="Mn(L)"><identification><InChIKey>PWHULOQIROXLJO-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Mn]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>manganese</IUPAC_name></identification><comment>Liquid. Ref-Elm. Chase,1998 pp1571-4.</comment><reference>j 9/67</reference><elements><element Mn="1" /></elements><condensed>True</condensed><molecular_weight>0.054938049</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="6000.0" Tlow="1519.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>5.535383324e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-9.393783130e+02</b1><b2>-2.853570386e+01</b2></T_range></specie><specie inp_file_name="Mo(cr)"><identification><InChIKey>ZOKXTWBITQBERF-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Mo]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>molybdenum</IUPAC_name></identification><comment>Crystal. Ref-Elm. Chase,1998 pp1577-80.</comment><reference>j 3/78</reference><elements><element Mo="1" /></elements><condensed>True</condensed><molecular_weight>0.09594</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-4.961689320e+04</a1><a2>4.280941190e+02</a2><a3>7.671984690e-01</a3><a4>5.731518250e-03</a4><a5>-6.381641180e-06</a5><a6>3.708192420e-09</a6><a7>-7.917347080e-13</a7><b1>-3.039584622e+03</b1><b2>-1.230467690e+00</b2></T_range><T_range Thigh="2200.0" Tlow="1000.0"><a1>-3.617592720e+06</a1><a2>1.474639904e+04</a2><a3>-2.136672658e+01</a3><a4>2.118577261e-02</a4><a5>-9.789741690e-06</a5><a6>2.496130112e-09</a6><a7>-2.422303123e-13</a7><b1>-8.977896080e+04</b1><b2>1.507160275e+02</b2></T_range><T_range Thigh="2896.0" Tlow="2200.0"><a1>4.759909590e+09</a1><a2>-5.321527320e+06</a2><a3>-8.747403120e+02</a3><a4>3.794789480e+00</a4><a5>-2.131568725e-03</a5><a6>4.974075900e-07</a6><a7>-4.325425090e-11</a7><b1>4.096569650e+07</b1><b2>1.130483988e+02</b2></T_range></specie><specie inp_file_name="Mo(L)"><identification><InChIKey>ZOKXTWBITQBERF-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Mo]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>molybdenum</IUPAC_name></identification><comment>Liquid. Ref-Elm. Chase,1998 pp1577-80.</comment><reference>j 3/78</reference><elements><element Mo="1" /></elements><condensed>True</condensed><molecular_weight>0.09594</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="6000.0" Tlow="2896.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>4.528949992e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>2.022300696e+03</b1><b2>-2.280790783e+01</b2></T_range></specie><specie inp_file_name="MoO2(cr)"><identification><InChIKey>QXYJCZRRLLQGCR-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[Mo]=O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dioxomolybdenum</IUPAC_name></identification><comment>Monoclinic. Gurvich,1982 pt1 p27 pt2 p32.</comment><reference>tpis82</reference><elements><element Mo="1" /><element O="2" /></elements><condensed>True</condensed><molecular_weight>0.1279388</molecular_weight><hf298.15>-589300.000</hf298.15><T_range Thigh="500.0" Tlow="200.0"><a1>-6.526622370e+06</a1><a2>1.230156278e+05</a2><a3>-9.443937510e+02</a3><a4>3.807393330e+00</a4><a5>-8.319729080e-03</a5><a6>9.477106540e-06</a6><a7>-4.408972390e-09</a7><b1>-6.244588120e+05</b1><b2>4.921849140e+03</b2></T_range><T_range Thigh="6000.0" Tlow="500.0"><a1>-2.051418601e+05</a1><a2>0.000000000e+00</a2><a3>8.963295880e+00</a3><a4>-1.128973209e-04</a4><a5>1.146693959e-06</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-7.424162440e+04</b1><b2>-4.664669130e+01</b2></T_range></specie><specie inp_file_name="MoO3(cr)"><identification><InChIKey>JKQOBWVOAYFWKG-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[Mo](=O)=O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>trioxomolybdenum</IUPAC_name></identification><comment>Rhombic. Gurvich,1982 pt1 p30 pt2 p34.</comment><reference>tpis82</reference><elements><element Mo="1" /><element O="3" /></elements><condensed>True</condensed><molecular_weight>0.1439382</molecular_weight><hf298.15>-744600.000</hf298.15><T_range Thigh="500.0" Tlow="200.0"><a1>9.061545810e+06</a1><a2>-1.658675979e+05</a2><a3>1.230236799e+03</a3><a4>-4.691503730e+00</a4><a5>9.965828580e-03</a5><a6>-1.109194136e-05</a6><a7>5.065628490e-09</a7><b1>6.590937470e+05</b1><b2>-6.461598540e+03</b2></T_range><T_range Thigh="1075.0" Tlow="500.0"><a1>-9.462974968e+04</a1><a2>0.000000000e+00</a2><a3>8.841771794e+00</a3><a4>4.197842086e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-9.269445280e+04</b1><b2>-4.282025959e+01</b2></T_range></specie><specie inp_file_name="MoO3(L)"><identification><InChIKey>JKQOBWVOAYFWKG-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[Mo](=O)=O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>trioxomolybdenum</IUPAC_name></identification><comment>Liquid. Gurvich,1982 pt1 p30 pt2 p34.</comment><reference>tpis82</reference><elements><element Mo="1" /><element O="3" /></elements><condensed>True</condensed><molecular_weight>0.1439382</molecular_weight><hf298.15>-744600.000</hf298.15><T_range Thigh="6000.0" Tlow="1075.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.527450205e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-9.123881420e+04</b1><b2>-7.771899557e+01</b2></T_range></specie><specie inp_file_name="NH4Cl(II)"><identification><InChIKey>NLXLAEXVIDQMFP-UHFFFAOYSA-N</InChIKey><canonical_smiles>[NH4+].[Cl-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>azanium;chloride</IUPAC_name></identification><comment>Chase,1998 p765.</comment><reference>j 9/65</reference><elements><element N="1" /><element H="4" /><element Cl="1" /></elements><condensed>True</condensed><molecular_weight>0.05349146</molecular_weight><hf298.15>-314553.000</hf298.15><T_range Thigh="457.7" Tlow="298.15"><a1>1.593389657e+05</a1><a2>0.000000000e+00</a2><a3>-5.965854940e+00</a3><a4>6.494193170e-02</a4><a5>-5.391456890e-05</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-3.792881500e+04</b1><b2>2.933013040e+01</b2></T_range></specie><specie inp_file_name="NH4Cl(III)"><identification><InChIKey>NLXLAEXVIDQMFP-UHFFFAOYSA-N</InChIKey><canonical_smiles>[NH4+].[Cl-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>azanium;chloride</IUPAC_name></identification><comment>Chase,1998 p765.</comment><reference>j 9/65</reference><elements><element N="1" /><element H="4" /><element Cl="1" /></elements><condensed>True</condensed><molecular_weight>0.05349146</molecular_weight><hf298.15>-314553.000</hf298.15><T_range Thigh="1000.0" Tlow="457.7"><a1>-1.641820157e+07</a1><a2>1.639262758e+05</a2><a3>-6.654529630e+02</a3><a4>1.447086973e+00</a4><a5>-1.698254160e-03</a5><a6>1.056255415e-06</a6><a7>-2.697574651e-10</a7><b1>-8.787975900e+05</b1><b2>3.897936900e+03</b2></T_range><T_range Thigh="1500.0" Tlow="1000.0"><a1>8.409592660e+08</a1><a2>-3.426760780e+06</a2><a3>5.548091470e+03</a3><a4>-4.435674300e+00</a4><a5>1.772486202e-03</a5><a6>-2.817160120e-07</a6><a7>0.000000000e+00</a7><b1>2.063363145e+07</b1><b2>-3.765976360e+04</b2></T_range></specie><specie inp_file_name="NH4F(cr)"><identification><InChIKey>LDDQLRUQCUTJBB-UHFFFAOYSA-N</InChIKey><canonical_smiles>[NH4+].[F-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>azanium;fluoride</IUPAC_name></identification><comment>Hexagonal. Gurvich,1989 pt1 p388 pt2 p324.</comment><reference>tpis89</reference><elements><element N="1" /><element H="4" /><element F="1" /></elements><condensed>True</condensed><molecular_weight>0.0370368632</molecular_weight><hf298.15>-467560.000</hf298.15><T_range Thigh="298.15" Tlow="200.0"><a1>-2.975636383e+06</a1><a2>7.208754230e+04</a2><a3>-7.346289470e+02</a3><a4>4.075299810e+00</a4><a5>-1.264044498e-02</a5><a6>2.111837237e-05</a6><a7>-1.479873524e-08</a7><b1>-3.621184440e+05</b1><b2>3.608760970e+03</b2></T_range><T_range Thigh="511.0" Tlow="298.15"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.563531705e+00</a3><a4>2.108482641e-02</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-5.763754000e+04</b1><b2>-6.538862038e+00</b2></T_range></specie><specie inp_file_name="NH4F(L)"><identification><InChIKey>LDDQLRUQCUTJBB-UHFFFAOYSA-N</InChIKey><canonical_smiles>[NH4+].[F-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>azanium;fluoride</IUPAC_name></identification><comment>Liquid. Gurvich,1989 pt1 p388 pt2 p324.</comment><reference>tpis89</reference><elements><element N="1" /><element H="4" /><element F="1" /></elements><condensed>True</condensed><molecular_weight>0.0370368632</molecular_weight><hf298.15>-467560.000</hf298.15><T_range Thigh="6000.0" Tlow="511.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.359069867e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-5.951515380e+04</b1><b2>-6.780477125e+01</b2></T_range></specie><specie inp_file_name="Na(cr)"><identification><InChIKey>KEAYESYHFKHZAL-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Na]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>sodium</IUPAC_name></identification><comment>Cubic. Ref-Elm. Cox,1989 p254.</comment><reference>coda89</reference><elements><element Na="1" /></elements><condensed>True</condensed><molecular_weight>0.02298977</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="371.01" Tlow="200.0"><a1>-3.584458010e+04</a1><a2>0.000000000e+00</a2><a3>6.479414690e+00</a3><a4>-1.898697341e-02</a4><a5>3.352387090e-05</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.504319740e+03</b1><b2>-2.677783039e+01</b2></T_range></specie><specie inp_file_name="Na(L)"><identification><InChIKey>KEAYESYHFKHZAL-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Na]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>sodium</IUPAC_name></identification><comment>Liquid. Ref-Elm. Cox,1989 p254.</comment><reference>coda89</reference><elements><element Na="1" /></elements><condensed>True</condensed><molecular_weight>0.02298977</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="2300.0" Tlow="371.01"><a1>2.694818670e+04</a1><a2>-2.319000780e+02</a2><a3>5.162435690e+00</a3><a4>-3.058571990e-03</a4><a5>1.696407999e-06</a5><a6>-1.519633426e-10</a6><a7>1.962859159e-14</a7><b1>2.842114288e+02</b1><b2>-2.225763980e+01</b2></T_range></specie><specie inp_file_name="NaAlO2(a)"><identification><InChIKey>IYJYQHRNMMNLRH-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[Al-]=O.[Na+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>sodium;dioxoalumanuide</IUPAC_name></identification><comment>Alpha.Chase,1998 p131.</comment><reference>j 3/63</reference><elements><element Na="1" /><element Al="1" /><element O="2" /></elements><condensed>True</condensed><molecular_weight>0.081970108</molecular_weight><hf298.15>-1133190.000</hf298.15><T_range Thigh="740.0" Tlow="200.0"><a1>4.527204140e+05</a1><a2>-7.722924360e+03</a2><a3>5.000166380e+01</a3><a4>-1.091293529e-01</a4><a5>1.762084005e-04</a5><a6>-1.452865027e-07</a6><a7>4.918123650e-11</a7><b1>-1.021205450e+05</b1><b2>-2.738871707e+02</b2></T_range></specie><specie inp_file_name="NaAlO2(b)"><identification><InChIKey>IYJYQHRNMMNLRH-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[Al-]=O.[Na+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>sodium;dioxoalumanuide</IUPAC_name></identification><comment>Beta. Chase,1998 p131.</comment><reference>j 3/63</reference><elements><element Na="1" /><element Al="1" /><element O="2" /></elements><condensed>True</condensed><molecular_weight>0.081970108</molecular_weight><hf298.15>-1133190.000</hf298.15><T_range Thigh="3000.0" Tlow="740.0"><a1>3.197980170e+06</a1><a2>-1.525937524e+04</a2><a3>3.932924030e+01</a3><a4>-2.623291355e-02</a4><a5>1.465112353e-05</a5><a6>-3.740532770e-09</a6><a7>3.560249390e-13</a7><b1>-4.988553210e+04</b1><b2>-2.434131708e+02</b2></T_range></specie><specie inp_file_name="NaBO2(cr)"><identification><InChIKey>NVIFVTYDZMXWGX-UHFFFAOYSA-N</InChIKey><canonical_smiles>B(=O)[O-].[Na+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>sodium;oxido(oxo)borane</IUPAC_name></identification><comment>Hexagonal. Gurvich,1982 pt1 p357 pt2 p391.</comment><reference>tpis82</reference><elements><element Na="1" /><element B="1" /><element O="2" /></elements><condensed>True</condensed><molecular_weight>0.06579957</molecular_weight><hf298.15>-976500.000</hf298.15><T_range Thigh="500.0" Tlow="200.0"><a1>-1.074702306e+05</a1><a2>2.343688910e+03</a2><a3>-1.964636192e+01</a3><a4>1.319434021e-01</a4><a5>-2.997058540e-04</a5><a6>3.640103610e-07</a6><a7>-1.796104124e-10</a7><b1>-1.291527393e+05</b1><b2>9.915788280e+01</b2></T_range><T_range Thigh="1239.0" Tlow="500.0"><a1>-5.597627870e+04</a1><a2>0.000000000e+00</a2><a3>5.491743560e+00</a3><a4>1.171509302e-02</a4><a5>-4.773472260e-06</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.197489098e+05</b1><b2>-2.604168849e+01</b2></T_range></specie><specie inp_file_name="NaBO2(L)"><identification><InChIKey>NVIFVTYDZMXWGX-UHFFFAOYSA-N</InChIKey><canonical_smiles>B(=O)[O-].[Na+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>sodium;oxido(oxo)borane</IUPAC_name></identification><comment>Liquid. Gurvich,1982 pt1 p357 pt2 p391.</comment><reference>tpis82</reference><elements><element Na="1" /><element B="1" /><element O="2" /></elements><condensed>True</condensed><molecular_weight>0.06579957</molecular_weight><hf298.15>-976500.000</hf298.15><T_range Thigh="6000.0" Tlow="1239.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.743939210e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.245121293e+05</b1><b2>-9.701235601e+01</b2></T_range></specie><specie inp_file_name="NaBr(cr)"><identification><InChIKey>JHJLBTNAGRQEKS-UHFFFAOYSA-M</InChIKey><canonical_smiles>[Na+].[Br-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>sodium;bromide</IUPAC_name></identification><comment>Cubic. Gurvich,1982 pt1 p340 pt2 p378.</comment><reference>tpis82</reference><elements><element Na="1" /><element Br="1" /></elements><condensed>True</condensed><molecular_weight>0.10289377000000001</molecular_weight><hf298.15>-361160.000</hf298.15><T_range Thigh="500.0" Tlow="200.0"><a1>3.210289070e+06</a1><a2>-5.986721400e+04</a2><a3>4.572531830e+02</a3><a4>-1.768432397e+00</a4><a5>3.814169490e-03</a5><a6>-4.295102010e-06</a6><a7>1.980139146e-09</a7><b1>2.245558598e+05</b1><b2>-2.385763453e+03</b2></T_range><T_range Thigh="1020.0" Tlow="500.0"><a1>1.593247644e+04</a1><a2>0.000000000e+00</a2><a3>5.272913580e+00</a3><a4>2.440774360e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-4.506450850e+04</b1><b2>-2.022580453e+01</b2></T_range></specie><specie inp_file_name="NaBr(L)"><identification><InChIKey>JHJLBTNAGRQEKS-UHFFFAOYSA-M</InChIKey><canonical_smiles>[Na+].[Br-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>sodium;bromide</IUPAC_name></identification><comment>Liquid. Gurvich,1982 pt1 p340 pt2 p378.</comment><reference>tpis82</reference><elements><element Na="1" /><element Br="1" /></elements><condensed>True</condensed><molecular_weight>0.10289377000000001</molecular_weight><hf298.15>-361160.000</hf298.15><T_range Thigh="6000.0" Tlow="1020.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>8.178473536e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-4.361938300e+04</b1><b2>-3.477943790e+01</b2></T_range></specie><specie inp_file_name="NaCN(II)"><identification><InChIKey>MNWBNISUBARLIT-UHFFFAOYSA-N</InChIKey><canonical_smiles>[C-]#N.[Na+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>sodium;cyanide</IUPAC_name></identification><comment>Lambda trans@288.5K. Chase,1998(3/66) pp631-3. Messer,1941.</comment><reference>g 8/01</reference><elements><element Na="1" /><element C="1" /><element N="1" /></elements><condensed>True</condensed><molecular_weight>0.04900717</molecular_weight><hf298.15>-90709.000</hf298.15><T_range Thigh="245.9" Tlow="197.7"><a1>4.995073610e+08</a1><a2>-1.007656780e+07</a2><a3>7.458386410e+04</a3><a4>-2.134406974e+02</a4><a5>-6.965856220e-02</a5><a6>1.540182072e-03</a6><a7>-2.204709373e-06</a7><b1>4.493712560e+07</b1><b2>-3.984423000e+05</b2></T_range><T_range Thigh="273.1" Tlow="245.9"><a1>-4.546907220e+08</a1><a2>4.339535660e+06</a2><a3>5.476070770e+02</a3><a4>-1.324240852e+02</a4><a5>5.045446840e-01</a5><a6>-5.791737950e-04</a6><a7>0.000000000e+00</a7><b1>-2.385188911e+07</b1><b2>3.106410058e+04</b2></T_range><T_range Thigh="284.2" Tlow="273.1"><a1>-4.415096320e+08</a1><a2>0.000000000e+00</a2><a3>3.452631670e+04</a3><a4>-1.661761169e+02</a4><a5>2.250608921e-01</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-6.388306670e+06</b1><b2>-1.596447272e+05</b2></T_range><T_range Thigh="286.3" Tlow="284.2"><a1>1.647379186e+09</a1><a2>0.000000000e+00</a2><a3>-6.100370390e+04</a3><a4>1.429224260e+02</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>1.735057318e+07</b1><b2>3.142435378e+05</b2></T_range><T_range Thigh="287.7" Tlow="286.3"><a1>1.607424258e+11</a1><a2>0.000000000e+00</a2><a3>-8.629992400e+06</a3><a4>3.290155880e+04</a4><a5>-3.355904228e+01</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>1.946284579e+09</b1><b2>4.175641230e+07</b2></T_range><T_range Thigh="288.5" Tlow="287.7"><a1>-1.494237648e+11</a1><a2>0.000000000e+00</a2><a3>8.652205900e+06</a3><a4>-3.521604880e+04</a4><a5>3.968501633e+01</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.866195945e+09</b1><b2>-4.140143280e+07</b2></T_range></specie><specie inp_file_name="NaCN(III)"><identification><InChIKey>MNWBNISUBARLIT-UHFFFAOYSA-N</InChIKey><canonical_smiles>[C-]#N.[Na+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>sodium;cyanide</IUPAC_name></identification><comment>Lambda trans@288.5K. Chase,1998(3/66) pp631-3. Messer,1941.</comment><reference>g 8/01</reference><elements><element Na="1" /><element C="1" /><element N="1" /></elements><condensed>True</condensed><molecular_weight>0.04900717</molecular_weight><hf298.15>-90709.000</hf298.15><T_range Thigh="290.4" Tlow="288.5"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>5.590153690e+06</a3><a4>-4.787600130e+04</a4><a5>1.309325625e+02</a5><a6>-1.114230434e-01</a6><a7>0.000000000e+00</a7><b1>-4.753893060e+08</b1><b2>-2.241133349e+07</b2></T_range><T_range Thigh="293.15" Tlow="290.4"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.752406137e+07</a3><a4>-1.788423367e+05</a4><a5>6.083847560e+02</a5><a6>-6.898560518e-01</a6><a7>0.000000000e+00</a7><b1>-1.287828620e+09</b1><b2>-6.746932890e+07</b2></T_range><T_range Thigh="835.0" Tlow="293.15"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>8.303074986e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.338528469e+04</b1><b2>-3.306050253e+01</b2></T_range></specie><specie inp_file_name="NaCN(L)"><identification><InChIKey>MNWBNISUBARLIT-UHFFFAOYSA-N</InChIKey><canonical_smiles>[C-]#N.[Na+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>sodium;cyanide</IUPAC_name></identification><comment>Chase,1998(3/66) pp631-3. Messer,1941.</comment><reference>g 8/01</reference><elements><element Na="1" /><element C="1" /><element N="1" /></elements><condensed>True</condensed><molecular_weight>0.04900717</molecular_weight><hf298.15>-90709.000</hf298.15><T_range Thigh="6000.0" Tlow="835.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>9.561116650e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.337899448e+04</b1><b2>-4.025831708e+01</b2></T_range></specie><specie inp_file_name="NaCl(cr)"><identification><InChIKey>FAPWRFPIFSIZLT-UHFFFAOYSA-M</InChIKey><canonical_smiles>[Na+].[Cl-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>sodium;chloride</IUPAC_name></identification><comment>Cubic. Gurvich,1982 pt1 p335 pt2 p374.</comment><reference>tpis82</reference><elements><element Na="1" /><element Cl="1" /></elements><condensed>True</condensed><molecular_weight>0.058442770000000005</molecular_weight><hf298.15>-411260.000</hf298.15><T_range Thigh="500.0" Tlow="200.0"><a1>2.725695501e+06</a1><a2>-5.160958750e+04</a2><a3>3.984582310e+02</a3><a4>-1.547496756e+00</a4><a5>3.352172310e-03</a5><a6>-3.787781590e-06</a6><a7>1.751729541e-09</a7><b1>1.807530763e+05</b1><b2>-2.076949046e+03</b2></T_range><T_range Thigh="1074.0" Tlow="500.0"><a1>2.657827371e+03</a1><a2>0.000000000e+00</a2><a3>5.665718690e+00</a3><a4>8.708901490e-04</a4><a5>1.340560030e-06</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-5.119384720e+04</b1><b2>-2.390773149e+01</b2></T_range></specie><specie inp_file_name="NaCl(L)"><identification><InChIKey>FAPWRFPIFSIZLT-UHFFFAOYSA-M</InChIKey><canonical_smiles>[Na+].[Cl-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>sodium;chloride</IUPAC_name></identification><comment>Liquid. Gurvich,1982 pt1 p335 pt2 p374.</comment><reference>tpis82</reference><elements><element Na="1" /><element Cl="1" /></elements><condensed>True</condensed><molecular_weight>0.058442770000000005</molecular_weight><hf298.15>-411260.000</hf298.15><T_range Thigh="6000.0" Tlow="1074.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>8.166446369e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-4.943459010e+04</b1><b2>-3.649536621e+01</b2></T_range></specie><specie inp_file_name="NaF(cr)"><identification><InChIKey>PUZPDOWCWNUUKD-UHFFFAOYSA-M</InChIKey><canonical_smiles>[F-].[Na+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>sodium;fluoride</IUPAC_name></identification><comment>Cubic. Gurvich,1982 pt1 p330 pt2 p370.</comment><reference>tpis82</reference><elements><element Na="1" /><element F="1" /></elements><condensed>True</condensed><molecular_weight>0.0419881732</molecular_weight><hf298.15>-576600.000</hf298.15><T_range Thigh="500.0" Tlow="200.0"><a1>-6.479380410e+06</a1><a2>1.203694117e+05</a2><a3>-9.069923560e+02</a3><a4>3.596486550e+00</a4><a5>-7.775987760e-03</a5><a6>8.784072120e-06</a6><a7>-4.059177020e-09</a7><b1>-6.130723750e+05</b1><b2>4.744846560e+03</b2></T_range><T_range Thigh="1269.0" Tlow="500.0"><a1>-1.103659993e+05</a1><a2>0.000000000e+00</a2><a3>7.264294880e+00</a3><a4>-1.973449856e-03</a4><a5>2.198504269e-06</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-7.181627510e+04</b1><b2>-3.536594020e+01</b2></T_range></specie><specie inp_file_name="NaF(L)"><identification><InChIKey>PUZPDOWCWNUUKD-UHFFFAOYSA-M</InChIKey><canonical_smiles>[F-].[Na+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>sodium;fluoride</IUPAC_name></identification><comment>Liquid. Gurvich,1982 pt1 p330 pt2 p370.</comment><reference>tpis82</reference><elements><element Na="1" /><element F="1" /></elements><condensed>True</condensed><molecular_weight>0.0419881732</molecular_weight><hf298.15>-576600.000</hf298.15><T_range Thigh="6000.0" Tlow="1269.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>8.431044042e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-6.918200450e+04</b1><b2>-4.115725624e+01</b2></T_range></specie><specie inp_file_name="NaH(cr)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Cubic. Gurvich,1982 pt1 p324 pt2 p365.</comment><reference>tpis82</reference><elements><element Na="1" /><element H="1" /></elements><condensed>True</condensed><molecular_weight>0.023997710000000002</molecular_weight><hf298.15>-56380.000</hf298.15><T_range Thigh="500.0" Tlow="200.0"><a1>-7.991749220e+05</a1><a2>1.540118135e+04</a2><a3>-1.207582590e+02</a3><a4>5.162361030e-01</a4><a5>-1.142424910e-03</a5><a6>1.321529809e-06</a6><a7>-6.221705120e-10</a7><b1>-7.637675350e+04</b1><b2>6.264186650e+02</b2></T_range><T_range Thigh="911.0" Tlow="500.0"><a1>-5.921209820e+04</a1><a2>0.000000000e+00</a2><a3>3.776579530e+00</a3><a4>4.250132020e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-8.294394750e+03</b1><b2>-1.830678857e+01</b2></T_range></specie><specie inp_file_name="NaH(L)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Liquid. Gurvich,1982 pt1 p324 pt2 p365.</comment><reference>tpis82</reference><elements><element Na="1" /><element H="1" /></elements><condensed>True</condensed><molecular_weight>0.023997710000000002</molecular_weight><hf298.15>-56380.000</hf298.15><T_range Thigh="6000.0" Tlow="911.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>6.735213500e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-6.034013160e+03</b1><b2>-3.112842170e+01</b2></T_range></specie><specie inp_file_name="NaI(cr)"><identification><InChIKey>FVAUCKIRQBBSSJ-UHFFFAOYSA-M</InChIKey><canonical_smiles>[Na+].[I-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>sodium;iodide</IUPAC_name></identification><comment>Cubic. Gurvich,1982 pt1 p343 pt2 p381.</comment><reference>tpis82</reference><elements><element Na="1" /><element I="1" /></elements><condensed>True</condensed><molecular_weight>0.14989423999999998</molecular_weight><hf298.15>-289630.000</hf298.15><T_range Thigh="500.0" Tlow="200.0"><a1>3.500848300e+06</a1><a2>-6.540492260e+04</a2><a3>5.005676630e+02</a3><a4>-1.943541204e+00</a4><a5>4.201134090e-03</a5><a6>-4.738515580e-06</a6><a7>2.187428593e-09</a7><b1>2.579135069e+05</b1><b2>-2.609575154e+03</b2></T_range><T_range Thigh="934.0" Tlow="500.0"><a1>2.799960757e+04</a1><a2>0.000000000e+00</a2><a3>5.047026160e+00</a3><a4>3.029892968e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-3.637984440e+04</b1><b2>-1.764780816e+01</b2></T_range></specie><specie inp_file_name="NaI(L)"><identification><InChIKey>FVAUCKIRQBBSSJ-UHFFFAOYSA-M</InChIKey><canonical_smiles>[Na+].[I-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>sodium;iodide</IUPAC_name></identification><comment>Liquid. Gurvich,1982 pt1 p343 pt2 p381.</comment><reference>tpis82</reference><elements><element Na="1" /><element I="1" /></elements><condensed>True</condensed><molecular_weight>0.14989423999999998</molecular_weight><hf298.15>-289630.000</hf298.15><T_range Thigh="6000.0" Tlow="934.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>8.058201866e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-3.505265490e+04</b1><b2>-3.237951568e+01</b2></T_range></specie><specie inp_file_name="NaNO2(I)"><identification><InChIKey>LPXPTNMVRIOKMN-UHFFFAOYSA-M</InChIKey><canonical_smiles>N(=O)[O-].[Na+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>sodium;nitrite</IUPAC_name></identification><comment>Rhombic. Gurvich,1982 pt1 p350 pt2 p386.</comment><reference>tpis82</reference><elements><element Na="1" /><element N="1" /><element O="2" /></elements><condensed>True</condensed><molecular_weight>0.06899527000000001</molecular_weight><hf298.15>-354600.000</hf298.15><T_range Thigh="400.0" Tlow="298.15"><a1>1.090298767e+06</a1><a2>0.000000000e+00</a2><a3>-3.023894373e+01</a3><a4>8.811824148e-02</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-3.389227900e+04</b1><b2>1.648982675e+02</b2></T_range><T_range Thigh="436.7" Tlow="400.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>5.419446245e+02</a3><a4>-1.998525469e+00</a4><a5>0.000000000e+00</a5><a6>4.207630035e-06</a6><a7>0.000000000e+00</a7><b1>-1.254887886e+05</b1><b2>-2.521831769e+03</b2></T_range></specie><specie inp_file_name="NaNO2(I')"><identification><InChIKey>LPXPTNMVRIOKMN-UHFFFAOYSA-M</InChIKey><canonical_smiles>N(=O)[O-].[Na+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>sodium;nitrite</IUPAC_name></identification><comment>Rhombic. Gurvich,1982 pt1 p350 pt2 p386.</comment><reference>tpis82</reference><elements><element Na="1" /><element N="1" /><element O="2" /></elements><condensed>True</condensed><molecular_weight>0.06899527000000001</molecular_weight><hf298.15>-354600.000</hf298.15><T_range Thigh="557.0" Tlow="436.7"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.599613206e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-4.773155280e+04</b1><b2>-7.952982535e+01</b2></T_range></specie><specie inp_file_name="NaNO2(L)"><identification><InChIKey>LPXPTNMVRIOKMN-UHFFFAOYSA-M</InChIKey><canonical_smiles>N(=O)[O-].[Na+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>sodium;nitrite</IUPAC_name></identification><comment>Liquid. Gurvich,1982 pt1 p350 pt2 p386.</comment><reference>tpis82</reference><elements><element Na="1" /><element N="1" /><element O="2" /></elements><condensed>True</condensed><molecular_weight>0.06899527000000001</molecular_weight><hf298.15>-354600.000</hf298.15><T_range Thigh="6000.0" Tlow="557.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.202716696e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-4.372398050e+04</b1><b2>-5.120982634e+01</b2></T_range></specie><specie inp_file_name="NaNO3(a)"><identification><InChIKey>VWDWKYIASSYTQR-UHFFFAOYSA-N</InChIKey><canonical_smiles>[N+](=O)([O-])[O-].[Na+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>sodium;nitrate</IUPAC_name></identification><comment>Hexagonal. Gurvich,1982 pt1 p353 pt2 p388.</comment><reference>tpis82</reference><elements><element Na="1" /><element N="1" /><element O="3" /></elements><condensed>True</condensed><molecular_weight>0.08499467</molecular_weight><hf298.15>-467700.000</hf298.15><T_range Thigh="500.0" Tlow="200.0"><a1>-4.851300240e+07</a1><a2>9.186316330e+05</a2><a3>-7.046384650e+03</a3><a4>2.807834358e+01</a4><a5>-6.098595830e-02</a5><a6>6.858389720e-05</a6><a7>-3.110743577e-08</a7><b1>-4.182115940e+06</b1><b2>3.676430560e+04</b2></T_range><T_range Thigh="549.0" Tlow="500.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.680735245e+01</a3><a4>-1.753272291e-01</a4><a5>3.165502236e-04</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-5.811076460e+04</b1><b2>-9.741742276e+01</b2></T_range></specie><specie inp_file_name="NaNO3(b)"><identification><InChIKey>VWDWKYIASSYTQR-UHFFFAOYSA-N</InChIKey><canonical_smiles>[N+](=O)([O-])[O-].[Na+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>sodium;nitrate</IUPAC_name></identification><comment>Hexagonal. Gurvich,1982 pt1 p353 pt2 p388.</comment><reference>tpis82</reference><elements><element Na="1" /><element N="1" /><element O="3" /></elements><condensed>True</condensed><molecular_weight>0.08499467</molecular_weight><hf298.15>-467700.000</hf298.15><T_range Thigh="579.6" Tlow="549.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.683803375e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-6.159974430e+04</b1><b2>-8.308035085e+01</b2></T_range></specie><specie inp_file_name="NaNO3(L)"><identification><InChIKey>VWDWKYIASSYTQR-UHFFFAOYSA-N</InChIKey><canonical_smiles>[N+](=O)([O-])[O-].[Na+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>sodium;nitrate</IUPAC_name></identification><comment>Liquid. Gurvich,1982 pt1 p353 pt2 p388.</comment><reference>tpis82</reference><elements><element Na="1" /><element N="1" /><element O="3" /></elements><condensed>True</condensed><molecular_weight>0.08499467</molecular_weight><hf298.15>-467700.000</hf298.15><T_range Thigh="6000.0" Tlow="579.6"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.695830542e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-5.985936520e+04</b1><b2>-8.072256364e+01</b2></T_range></specie><specie inp_file_name="NaOH(a)"><identification><InChIKey>HEMHJVSKTPXQMS-UHFFFAOYSA-M</InChIKey><canonical_smiles>[OH-].[Na+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>sodium;hydroxide</IUPAC_name></identification><comment>Alpha. Gurvich,1996b.</comment><reference>g 5/99</reference><elements><element Na="1" /><element O="1" /><element H="1" /></elements><condensed>True</condensed><molecular_weight>0.03999711</molecular_weight><hf298.15>-425800.000</hf298.15><T_range Thigh="298.15" Tlow="100.0"><a1>2.008329119e+04</a1><a2>-7.714677160e+02</a2><a3>8.694171090e+00</a3><a4>3.850883340e-03</a4><a5>-3.610498540e-06</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-4.948023450e+04</b1><b2>-4.524899570e+01</b2></T_range><T_range Thigh="514.0" Tlow="298.15"><a1>1.048215710e+06</a1><a2>0.000000000e+00</a2><a3>-9.592892425e+01</a3><a4>6.189564989e-01</a4><a5>-1.367212259e-03</a5><a6>1.067453163e-06</a6><a7>0.000000000e+00</a7><b1>-3.663541040e+04</b1><b2>4.270051072e+02</b2></T_range></specie><specie inp_file_name="NaOH(b)"><identification><InChIKey>HEMHJVSKTPXQMS-UHFFFAOYSA-M</InChIKey><canonical_smiles>[OH-].[Na+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>sodium;hydroxide</IUPAC_name></identification><comment>Beta. Gurvich,1996b.</comment><reference>g 5/99</reference><elements><element Na="1" /><element O="1" /><element H="1" /></elements><condensed>True</condensed><molecular_weight>0.03999711</molecular_weight><hf298.15>-425800.000</hf298.15><T_range Thigh="568.0" Tlow="514.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>9.621733572e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-5.442558950e+04</b1><b2>-4.799292559e+01</b2></T_range></specie><specie inp_file_name="NaOH(c)"><identification><InChIKey>HEMHJVSKTPXQMS-UHFFFAOYSA-M</InChIKey><canonical_smiles>[OH-].[Na+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>sodium;hydroxide</IUPAC_name></identification><comment>Gamma. Gurvich,1996b.</comment><reference>g 5/99</reference><elements><element Na="1" /><element O="1" /><element H="1" /></elements><condensed>True</condensed><molecular_weight>0.03999711</molecular_weight><hf298.15>-425800.000</hf298.15><T_range Thigh="594.0" Tlow="568.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.034336359e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-5.407054750e+04</b1><b2>-5.122288687e+01</b2></T_range></specie><specie inp_file_name="NaOH(L)"><identification><InChIKey>HEMHJVSKTPXQMS-UHFFFAOYSA-M</InChIKey><canonical_smiles>[OH-].[Na+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>sodium;hydroxide</IUPAC_name></identification><comment>Liquid. Gurvich,1996b.</comment><reference>g 5/99</reference><elements><element Na="1" /><element O="1" /><element H="1" /></elements><condensed>True</condensed><molecular_weight>0.03999711</molecular_weight><hf298.15>-425800.000</hf298.15><T_range Thigh="1000.0" Tlow="594.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.077790513e+01</a3><a4>-7.111663826e-04</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-5.343827480e+04</b1><b2>-5.228806116e+01</b2></T_range><T_range Thigh="6000.0" Tlow="1000.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.006673875e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-5.308269160e+04</b1><b2>-4.808666421e+01</b2></T_range></specie><specie inp_file_name="NaO2(cr)"><identification><InChIKey>PHAXRGJSSMEEFS-UHFFFAOYSA-N</InChIKey><canonical_smiles>[O-][O-].[Na+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>sodium;peroxide</IUPAC_name></identification><comment>Cubic. Gurvich,1982 pt1 p319 pt2 p359.Chase,1998 p1646 6/63.</comment><reference>g10/99</reference><elements><element Na="1" /><element O="2" /></elements><condensed>True</condensed><molecular_weight>0.05498857</molecular_weight><hf298.15>-261000.000</hf298.15><T_range Thigh="825.0" Tlow="223.3"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>7.541274230e+00</a3><a4>3.803351009e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-3.380838310e+04</b1><b2>-3.016162188e+01</b2></T_range></specie><specie inp_file_name="NaO2(L)"><identification><InChIKey>PHAXRGJSSMEEFS-UHFFFAOYSA-N</InChIKey><canonical_smiles>[O-][O-].[Na+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>sodium;peroxide</IUPAC_name></identification><comment>Liq. Gurvich,1982 pt1 p319 pt2 p359.Chase,1998 p1646 6/63.</comment><reference>g10/99</reference><elements><element Na="1" /><element O="2" /></elements><condensed>True</condensed><molecular_weight>0.05498857</molecular_weight><hf298.15>-261000.000</hf298.15><T_range Thigh="6000.0" Tlow="825.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.202716696e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-3.374934750e+04</b1><b2>-5.415977808e+01</b2></T_range></specie><specie inp_file_name="Na2CO3(a)"><identification><InChIKey>CDBYLPFSWZWCQE-UHFFFAOYSA-L</InChIKey><canonical_smiles>C(=O)([O-])[O-].[Na+].[Na+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>disodium;carbonate</IUPAC_name></identification><comment>Alpha,monoclinic. Gurvich,1982 pt1 p356 pt2 p390.</comment><reference>tpis82</reference><elements><element Na="2" /><element C="1" /><element O="3" /></elements><condensed>True</condensed><molecular_weight>0.10598844</molecular_weight><hf298.15>-1129190.000</hf298.15><T_range Thigh="623.0" Tlow="200.0"><a1>-2.240230091e+06</a1><a2>3.426046630e+04</a2><a3>-2.061520520e+02</a3><a4>7.168720430e-01</a4><a5>-1.253560327e-03</a5><a6>1.178136083e-06</a6><a7>-4.526962410e-10</a7><b1>-2.999635262e+05</b1><b2>1.125584713e+03</b2></T_range></specie><specie inp_file_name="Na2CO3(b)"><identification><InChIKey>CDBYLPFSWZWCQE-UHFFFAOYSA-L</InChIKey><canonical_smiles>C(=O)([O-])[O-].[Na+].[Na+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>disodium;carbonate</IUPAC_name></identification><comment>Beta,monoclinic. Gurvich,1982 pt1 p356 pt2 p390.</comment><reference>tpis82</reference><elements><element Na="2" /><element C="1" /><element O="3" /></elements><condensed>True</condensed><molecular_weight>0.10598844</molecular_weight><hf298.15>-1129190.000</hf298.15><T_range Thigh="752.0" Tlow="623.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>7.711578914e+00</a3><a4>1.943638290e-02</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.388766027e+05</b1><b2>-3.334178005e+01</b2></T_range></specie><specie inp_file_name="Na2CO3(c)"><identification><InChIKey>CDBYLPFSWZWCQE-UHFFFAOYSA-L</InChIKey><canonical_smiles>C(=O)([O-])[O-].[Na+].[Na+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>disodium;carbonate</IUPAC_name></identification><comment>Gamma,hexagonal. Gurvich,1982 pt1 p356 pt2 p390.</comment><reference>tpis82</reference><elements><element Na="2" /><element C="1" /><element O="3" /></elements><condensed>True</condensed><molecular_weight>0.10598844</molecular_weight><hf298.15>-1129190.000</hf298.15><T_range Thigh="1131.0" Tlow="752.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>4.430327223e+00</a3><a4>1.645316441e-02</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.353130199e+05</b1><b2>-9.031669943e+00</b2></T_range></specie><specie inp_file_name="Na2CO3(L)"><identification><InChIKey>CDBYLPFSWZWCQE-UHFFFAOYSA-L</InChIKey><canonical_smiles>C(=O)([O-])[O-].[Na+].[Na+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>disodium;carbonate</IUPAC_name></identification><comment>Liquid. Gurvich,1982 pt1 p356 pt2 p390.</comment><reference>tpis82</reference><elements><element Na="2" /><element C="1" /><element O="3" /></elements><condensed>True</condensed><molecular_weight>0.10598844</molecular_weight><hf298.15>-1129190.000</hf298.15><T_range Thigh="6000.0" Tlow="1131.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.345297558e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.429369053e+05</b1><b2>-1.211911225e+02</b2></T_range></specie><specie inp_file_name="Na2O(c)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gamma. Gurvich,1982 pt1 p320 pt2 p360.</comment><reference>tpis82</reference><elements><element Na="2" /><element O="1" /></elements><condensed>True</condensed><molecular_weight>0.06197894</molecular_weight><hf298.15>-414570.000</hf298.15><T_range Thigh="500.0" Tlow="200.0"><a1>1.662637910e+06</a1><a2>-3.189091340e+04</a2><a3>2.474349303e+02</a3><a4>-9.313593580e-01</a4><a5>2.006501256e-03</a5><a6>-2.253952071e-06</a6><a7>1.037067374e-09</a7><b1>9.127774380e+04</b1><b2>-1.292003778e+03</b2></T_range><T_range Thigh="1023.0" Tlow="500.0"><a1>2.551096288e+05</a1><a2>-2.539111311e+03</a2><a3>1.659817003e+01</a3><a4>-1.233767744e-02</a4><a5>1.540713549e-05</a5><a6>-8.084697830e-09</a6><a7>1.747972425e-12</a7><b1>-3.906526610e+04</b1><b2>-8.958024740e+01</b2></T_range></specie><specie inp_file_name="Na2O(b)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Beta. Gurvich,1982 pt1 p320 pt2 p360.</comment><reference>tpis82</reference><elements><element Na="2" /><element O="1" /></elements><condensed>True</condensed><molecular_weight>0.06197894</molecular_weight><hf298.15>-414570.000</hf298.15><T_range Thigh="1243.0" Tlow="1023.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.202716696e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-5.485897470e+04</b1><b2>-6.235394464e+01</b2></T_range></specie><specie inp_file_name="Na2O(a)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Alpha. Gurvich,1982 pt1 p320 pt2 p360.</comment><reference>tpis82</reference><elements><element Na="2" /><element O="1" /></elements><condensed>True</condensed><molecular_weight>0.06197894</molecular_weight><hf298.15>-414570.000</hf298.15><T_range Thigh="1405.0" Tlow="1243.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.202716696e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-5.377652960e+04</b1><b2>-6.148311196e+01</b2></T_range></specie><specie inp_file_name="Na2O(L)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Liquid. Gurvich,1982 pt1 p320 pt2 p360.</comment><reference>tpis82</reference><elements><element Na="2" /><element O="1" /></elements><condensed>True</condensed><molecular_weight>0.06197894</molecular_weight><hf298.15>-414570.000</hf298.15><T_range Thigh="6000.0" Tlow="1405.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.202716696e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-4.944674950e+04</b1><b2>-5.840141793e+01</b2></T_range></specie><specie inp_file_name="Na2O2(b)"><identification><InChIKey>PFUVRDFDKPNGAV-UHFFFAOYSA-N</InChIKey><canonical_smiles>[O-][O-].[Na+].[Na+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>disodium;peroxide</IUPAC_name></identification><comment>Beta. Gurvich,1982 pt1 p323 pt2 p363.</comment><reference>tpis82</reference><elements><element Na="2" /><element O="2" /></elements><condensed>True</condensed><molecular_weight>0.07797834000000001</molecular_weight><hf298.15>-512000.000</hf298.15><T_range Thigh="500.0" Tlow="200.0"><a1>-8.122024280e+05</a1><a2>1.451270156e+04</a2><a3>-1.058114918e+02</a3><a4>4.802903390e-01</a4><a5>-1.057140356e-03</a5><a6>1.219343411e-06</a6><a7>-5.728124010e-10</a7><b1>-1.295899700e+05</b1><b2>5.525239130e+02</b2></T_range><T_range Thigh="785.0" Tlow="500.0"><a1>-1.051839392e+05</a1><a2>0.000000000e+00</a2><a3>1.054275850e+01</a3><a4>4.638430480e-03</a4><a5>4.381769570e-09</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-6.528135100e+04</b1><b2>-5.064487560e+01</b2></T_range></specie><specie inp_file_name="Na2O2(a)"><identification><InChIKey>PFUVRDFDKPNGAV-UHFFFAOYSA-N</InChIKey><canonical_smiles>[O-][O-].[Na+].[Na+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>disodium;peroxide</IUPAC_name></identification><comment>Alpha. Gurvich,1982 pt1 p323 pt2 p363.</comment><reference>tpis82</reference><elements><element Na="2" /><element O="2" /></elements><condensed>True</condensed><molecular_weight>0.07797834000000001</molecular_weight><hf298.15>-512000.000</hf298.15><T_range Thigh="948.0" Tlow="785.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.359069867e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-6.546547070e+04</b1><b2>-6.641239933e+01</b2></T_range></specie><specie inp_file_name="Na2O2(L)"><identification><InChIKey>PFUVRDFDKPNGAV-UHFFFAOYSA-N</InChIKey><canonical_smiles>[O-][O-].[Na+].[Na+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>disodium;peroxide</IUPAC_name></identification><comment>Liquid. Gurvich,1982 pt1 p323 pt2 p363.</comment><reference>tpis82</reference><elements><element Na="2" /><element O="2" /></elements><condensed>True</condensed><molecular_weight>0.07797834000000001</molecular_weight><hf298.15>-512000.000</hf298.15><T_range Thigh="6000.0" Tlow="948.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.611640373e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-6.581522070e+04</b1><b2>-8.156770675e+01</b2></T_range></specie><specie inp_file_name="Na2S(cr)"><identification><InChIKey>GRVFOGOEDUUMBP-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Na+].[Na+].[S-2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>disodium;sulfide</IUPAC_name></identification><comment>Below lambda trans. Chase,1998 pp1667-9.</comment><reference>j 3/78</reference><elements><element Na="2" /><element S="1" /></elements><condensed>True</condensed><molecular_weight>0.07804454</molecular_weight><hf298.15>-366100.000</hf298.15><T_range Thigh="700.0" Tlow="298.15"><a1>-4.541358110e+05</a1><a2>4.959201300e+03</a2><a3>-1.171687783e+01</a3><a4>4.586680300e-02</a4><a5>-4.501505030e-05</a5><a6>1.801159260e-08</a6><a7>0.000000000e+00</a7><b1>-7.199330320e+04</b1><b2>8.057734670e+01</b2></T_range><T_range Thigh="1276.0" Tlow="700.0"><a1>-3.527498880e+09</a1><a2>2.408466098e+07</a2><a3>-6.783369110e+04</a3><a4>1.008062531e+02</a4><a5>-8.320894540e-02</a5><a6>3.611294520e-05</a6><a7>-6.422558180e-09</a7><b1>-1.325119033e+08</b1><b2>4.212898800e+05</b2></T_range></specie><specie inp_file_name="Na2S(cr)"><identification><InChIKey>GRVFOGOEDUUMBP-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Na+].[Na+].[S-2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>disodium;sulfide</IUPAC_name></identification><comment>Above lambda trans. Chase,1998 pp1667-9.</comment><reference>j 3/78</reference><elements><element Na="2" /><element S="1" /></elements><condensed>True</condensed><molecular_weight>0.07804454</molecular_weight><hf298.15>-366100.000</hf298.15><T_range Thigh="1445.0" Tlow="1276.0"><a1>8.868348820e+08</a1><a2>0.000000000e+00</a2><a3>-2.045962174e+03</a3><a4>1.675387705e+00</a4><a5>-3.752802310e-04</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>2.169500522e+06</b1><b2>1.309983113e+04</b2></T_range></specie><specie inp_file_name="Na2S(L)"><identification><InChIKey>GRVFOGOEDUUMBP-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Na+].[Na+].[S-2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>disodium;sulfide</IUPAC_name></identification><comment>Chase,1998 pp1667-9.</comment><reference>j 3/78</reference><elements><element Na="2" /><element S="1" /></elements><condensed>True</condensed><molecular_weight>0.07804454</molecular_weight><hf298.15>-366100.000</hf298.15><T_range Thigh="6000.0" Tlow="1445.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.107076665e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-4.262953690e+04</b1><b2>-4.848427350e+01</b2></T_range></specie><specie inp_file_name="Na2SO3(cr)"><identification><InChIKey>GEHJYWRUCIMESM-UHFFFAOYSA-L</InChIKey><canonical_smiles>[O-]S(=O)[O-].[Na+].[Na+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>disodium;sulfite</IUPAC_name></identification><comment>Crystal. Barin,1989 pt2 p1002.</comment><reference>bar 89</reference><elements><element Na="2" /><element S="1" /><element O="3" /></elements><condensed>True</condensed><molecular_weight>0.12604274</molecular_weight><hf298.15>-1100802.000</hf298.15><T_range Thigh="1184.0" Tlow="298.15"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.290193602e+01</a3><a4>5.233511440e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.364746191e+05</b1><b2>-5.751819280e+01</b2></T_range></specie><specie inp_file_name="Na2SO3(L)"><identification><InChIKey>GEHJYWRUCIMESM-UHFFFAOYSA-L</InChIKey><canonical_smiles>[O-]S(=O)[O-].[Na+].[Na+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>disodium;sulfite</IUPAC_name></identification><comment>Liquid. Barin,1989 pt2 p1002.</comment><reference>bar 89</reference><elements><element Na="2" /><element S="1" /><element O="3" /></elements><condensed>True</condensed><molecular_weight>0.12604274</molecular_weight><hf298.15>-1100802.000</hf298.15><T_range Thigh="6000.0" Tlow="1184.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.188992496e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.403382187e+05</b1><b2>-1.123000267e+02</b2></T_range></specie><specie inp_file_name="Na2SO4(V)"><identification><InChIKey>PMZURENOXWZQFD-UHFFFAOYSA-L</InChIKey><canonical_smiles>[O-]S(=O)(=O)[O-].[Na+].[Na+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>disodium;sulfate</IUPAC_name></identification><comment>Rhombic. Gurvich,1982 pt1 p346 pt2 p384.</comment><reference>tpis82</reference><elements><element Na="2" /><element S="1" /><element O="4" /></elements><condensed>True</condensed><molecular_weight>0.14204213999999998</molecular_weight><hf298.15>-1387900.000</hf298.15><T_range Thigh="458.0" Tlow="200.0"><a1>-8.689043820e+05</a1><a2>1.449012038e+04</a2><a3>-9.087576950e+01</a3><a4>3.621919930e-01</a4><a5>-5.592870850e-04</a5><a6>3.463421130e-07</a6><a7>0.000000000e+00</a7><b1>-2.371450313e+05</b1><b2>4.932876470e+02</b2></T_range></specie><specie inp_file_name="Na2SO4(IV)"><identification><InChIKey>PMZURENOXWZQFD-UHFFFAOYSA-L</InChIKey><canonical_smiles>[O-]S(=O)(=O)[O-].[Na+].[Na+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>disodium;sulfate</IUPAC_name></identification><comment>Rhombic. Gurvich,1982 pt1 p346 pt2 p384.</comment><reference>tpis82</reference><elements><element Na="2" /><element S="1" /><element O="4" /></elements><condensed>True</condensed><molecular_weight>0.14204213999999998</molecular_weight><hf298.15>-1387900.000</hf298.15><T_range Thigh="514.0" Tlow="458.0"><a1>-1.455046659e+05</a1><a2>0.000000000e+00</a2><a3>1.308904554e+01</a3><a4>1.323950539e-02</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.718682018e+05</b1><b2>-6.127355231e+01</b2></T_range></specie><specie inp_file_name="Na2SO4(I)"><identification><InChIKey>PMZURENOXWZQFD-UHFFFAOYSA-L</InChIKey><canonical_smiles>[O-]S(=O)(=O)[O-].[Na+].[Na+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>disodium;sulfate</IUPAC_name></identification><comment>Hexagonal. Gurvich,1982 pt1 p346 pt2 p384.</comment><reference>tpis82</reference><elements><element Na="2" /><element S="1" /><element O="4" /></elements><condensed>True</condensed><molecular_weight>0.14204213999999998</molecular_weight><hf298.15>-1387900.000</hf298.15><T_range Thigh="1157.0" Tlow="514.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.503069934e+01</a3><a4>-1.581223668e-02</a4><a5>1.591831629e-05</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.732950425e+05</b1><b2>-1.201603231e+02</b2></T_range></specie><specie inp_file_name="Na2SO4(L)"><identification><InChIKey>PMZURENOXWZQFD-UHFFFAOYSA-L</InChIKey><canonical_smiles>[O-]S(=O)(=O)[O-].[Na+].[Na+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>disodium;sulfate</IUPAC_name></identification><comment>Liquid. Gurvich,1982 pt1 p346 pt2 p384.</comment><reference>tpis82</reference><elements><element Na="2" /><element S="1" /><element O="4" /></elements><condensed>True</condensed><molecular_weight>0.14204213999999998</molecular_weight><hf298.15>-1387900.000</hf298.15><T_range Thigh="6000.0" Tlow="1157.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.453542061e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.722609524e+05</b1><b2>-1.218642150e+02</b2></T_range></specie><specie inp_file_name="Na3AlF6(a)"><identification><InChIKey>REHXRBDMVPYGJX-UHFFFAOYSA-H</InChIKey><canonical_smiles>F[Al-3](F)(F)(F)(F)F.[Na+].[Na+].[Na+]</canonical_smiles><cas_number>15096-52-3</cas_number><IUPAC_name>trisodium;hexafluoroaluminum(3-)</IUPAC_name></identification><comment>Monoclinic. Gurvich,1982 pt1 p361 pt2 p394.</comment><reference>tpis82</reference><elements><element Na="3" /><element Al="1" /><element F="6" /></elements><condensed>True</condensed><molecular_weight>0.2099412672</molecular_weight><hf298.15>-3322400.000</hf298.15><T_range Thigh="500.0" Tlow="200.0"><a1>1.564580425e+07</a1><a2>-2.923454204e+05</a2><a3>2.211217567e+03</a3><a4>-8.502636700e+00</a4><a5>1.825363780e-02</a5><a6>-2.047448239e-05</a6><a7>9.409455420e-09</a7><b1>9.119433290e+05</b1><b2>-1.157646461e+04</b2></T_range><T_range Thigh="838.0" Tlow="500.0"><a1>-1.416702978e+05</a1><a2>0.000000000e+00</a2><a3>2.315158739e+01</a3><a4>1.479360403e-02</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-4.076260850e+05</b1><b2>-1.084672805e+02</b2></T_range></specie><specie inp_file_name="Na3AlF6(b)"><identification><InChIKey>REHXRBDMVPYGJX-UHFFFAOYSA-H</InChIKey><canonical_smiles>F[Al-3](F)(F)(F)(F)F.[Na+].[Na+].[Na+]</canonical_smiles><cas_number>15096-52-3</cas_number><IUPAC_name>trisodium;hexafluoroaluminum(3-)</IUPAC_name></identification><comment>Cubic. Gurvich,1982 pt1 p361 pt2 p394.</comment><reference>tpis82</reference><elements><element Na="3" /><element Al="1" /><element F="6" /></elements><condensed>True</condensed><molecular_weight>0.2099412672</molecular_weight><hf298.15>-3322400.000</hf298.15><T_range Thigh="1286.0" Tlow="838.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.624279723e+01</a3><a4>7.980987454e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-4.065549160e+05</b1><b2>-1.221511986e+02</b2></T_range></specie><specie inp_file_name="Na3AlF6(L)"><identification><InChIKey>REHXRBDMVPYGJX-UHFFFAOYSA-H</InChIKey><canonical_smiles>F[Al-3](F)(F)(F)(F)F.[Na+].[Na+].[Na+]</canonical_smiles><cas_number>15096-52-3</cas_number><IUPAC_name>trisodium;hexafluoroaluminum(3-)</IUPAC_name></identification><comment>Liquid. Gurvich,1982 pt1 p361 pt2 p394.</comment><reference>tpis82</reference><elements><element Na="3" /><element Al="1" /><element F="6" /></elements><condensed>True</condensed><molecular_weight>0.2099412672</molecular_weight><hf298.15>-3322400.000</hf298.15><T_range Thigh="6000.0" Tlow="1286.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>4.702622283e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-4.129238590e+05</b1><b2>-2.499831311e+02</b2></T_range></specie><specie inp_file_name="Na5Al3F14(cr)"><identification><InChIKey>PPPLOTGLKDTASM-UHFFFAOYSA-A</InChIKey><canonical_smiles>[F-].[F-].[F-].[F-].[F-].[F-].[F-].[F-].[F-].[F-].[F-].[F-].[F-].[F-].[Na+].[Na+].[Na+].[Na+].[Na+].[Al+3].[Al+3].[Al+3]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>trialuminum;pentasodium;tetradecafluoride</IUPAC_name></identification><comment>Tetragonal. Gurvich,1982 pt1 p362 pt2 p395.</comment><reference>tpis82</reference><elements><element Na="5" /><element Al="3" /><element F="14" /></elements><condensed>True</condensed><molecular_weight>0.4618711088</molecular_weight><hf298.15>-7555000.000</hf298.15><T_range Thigh="500.0" Tlow="200.0"><a1>-2.302157125e+07</a1><a2>4.240174110e+05</a2><a3>-3.188373880e+03</a3><a4>1.288416515e+01</a4><a5>-2.796179544e-02</a5><a6>3.169729270e-05</a6><a7>-1.469118702e-08</a7><b1>-2.832459181e+06</b1><b2>1.667109223e+04</b2></T_range><T_range Thigh="1010.0" Tlow="500.0"><a1>-8.720901540e+05</a1><a2>0.000000000e+00</a2><a3>6.109021050e+01</a3><a4>1.113784152e-02</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-9.302863450e+05</b1><b2>-2.943295261e+02</b2></T_range></specie><specie inp_file_name="Na5Al3F14(L)"><identification><InChIKey>PPPLOTGLKDTASM-UHFFFAOYSA-A</InChIKey><canonical_smiles>[F-].[F-].[F-].[F-].[F-].[F-].[F-].[F-].[F-].[F-].[F-].[F-].[F-].[F-].[Na+].[Na+].[Na+].[Na+].[Na+].[Al+3].[Al+3].[Al+3]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>trialuminum;pentasodium;tetradecafluoride</IUPAC_name></identification><comment>Liquid. Gurvich,1982 pt1 p362 pt2 p395.</comment><reference>tpis82</reference><elements><element Na="5" /><element Al="3" /><element F="14" /></elements><condensed>True</condensed><molecular_weight>0.4618711088</molecular_weight><hf298.15>-7555000.000</hf298.15><T_range Thigh="6000.0" Tlow="1010.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.171446062e+02</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-9.528147600e+05</b1><b2>-6.431511436e+02</b2></T_range></specie><specie inp_file_name="Nb(cr)"><identification><InChIKey>GUCVJGMIXFAOAE-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Nb]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>niobium</IUPAC_name></identification><comment>Crystal. Ref-Elm. Chase,1998 pp1675-8.</comment><reference>j12/73</reference><elements><element Nb="1" /></elements><condensed>True</condensed><molecular_weight>0.09290638</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-4.254811710e+04</a1><a2>3.875297090e+02</a2><a3>1.184449739e+00</a3><a4>4.507436620e-03</a4><a5>-5.232091980e-06</a5><a6>3.513452460e-09</a6><a7>-9.507605800e-13</a7><b1>-2.864449323e+03</b1><b2>-2.442975114e+00</b2></T_range><T_range Thigh="2000.0" Tlow="1000.0"><a1>2.527695630e+07</a1><a2>-1.085720528e+05</a2><a3>1.929168202e+02</a3><a4>-1.727427651e-01</a4><a5>8.671274570e-05</a5><a6>-2.266162374e-08</a6><a7>2.437387316e-12</a7><b1>6.472317770e+05</b1><b2>-1.284027328e+03</b2></T_range><T_range Thigh="2750.0" Tlow="2000.0"><a1>9.016788690e+08</a1><a2>-1.888649522e+06</a2><a3>1.578845370e+03</a3><a4>-6.588882220e-01</a4><a5>1.416307803e-04</a5><a6>-1.396561356e-08</a6><a7>4.411624050e-13</a7><b1>1.264760547e+07</b1><b2>-1.175157316e+04</b2></T_range></specie><specie inp_file_name="Nb(L)"><identification><InChIKey>GUCVJGMIXFAOAE-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Nb]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>niobium</IUPAC_name></identification><comment>Liquid. Ref-Elm. Chase,1998 pp1675-8.</comment><reference>j12/73</reference><elements><element Nb="1" /></elements><condensed>True</condensed><molecular_weight>0.09290638</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="6000.0" Tlow="2750.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>4.025733326e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>1.427029683e+03</b1><b2>-1.857965621e+01</b2></T_range></specie><specie inp_file_name="NbO(cr)"><identification><InChIKey>BFRGSJVXBIWTCF-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[Nb]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>oxoniobium</IUPAC_name></identification><comment>Cubic. Gurvich,1982 pt1 p75 pt2 p77.</comment><reference>tpis82</reference><elements><element Nb="1" /><element O="1" /></elements><condensed>True</condensed><molecular_weight>0.10890578</molecular_weight><hf298.15>-406000.000</hf298.15><T_range Thigh="2217.0" Tlow="298.15"><a1>-4.430808310e+04</a1><a2>0.000000000e+00</a2><a3>5.073540112e+00</a3><a4>1.194297680e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-5.054466650e+04</b1><b2>-2.397978879e+01</b2></T_range></specie><specie inp_file_name="NbO(L)"><identification><InChIKey>BFRGSJVXBIWTCF-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[Nb]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>oxoniobium</IUPAC_name></identification><comment>Liquid. Gurvich,1982 pt1 p75 pt2 p77.</comment><reference>tpis82</reference><elements><element Nb="1" /><element O="1" /></elements><condensed>True</condensed><molecular_weight>0.10890578</molecular_weight><hf298.15>-406000.000</hf298.15><T_range Thigh="6000.0" Tlow="2217.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>7.817658527e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-4.765976820e+04</b1><b2>-3.975547844e+01</b2></T_range></specie><specie inp_file_name="NbOCl3(cr)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Barin,1989 pt2 p1030. Wagman,1982 p207.</comment><reference>bar 89</reference><elements><element Nb="1" /><element O="1" /><element Cl="3" /></elements><condensed>True</condensed><molecular_weight>0.21526478</molecular_weight><hf298.15>-879500.000</hf298.15><T_range Thigh="702.0" Tlow="298.15"><a1>-1.822304138e+05</a1><a2>4.828593360e+02</a2><a3>1.341861113e+01</a3><a4>7.546458250e-03</a4><a5>-1.198129404e-05</a5><a6>9.997155720e-09</a6><a7>-3.425554610e-12</a7><b1>-1.133897355e+05</b1><b2>-6.057973360e+01</b2></T_range></specie><specie inp_file_name="NbO2(II)"><identification><InChIKey>HFLAMWCKUFHSAZ-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[Nb]=O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dioxoniobium</IUPAC_name></identification><comment>Tetragonal. Gurvich,1982 pt1 p78 pt2 p80.</comment><reference>tpis82</reference><elements><element Nb="1" /><element O="2" /></elements><condensed>True</condensed><molecular_weight>0.12490518</molecular_weight><hf298.15>-795000.000</hf298.15><T_range Thigh="500.0" Tlow="200.0"><a1>-3.914505940e+06</a1><a2>7.500739880e+04</a2><a3>-5.854724840e+02</a3><a4>2.416380822e+00</a4><a5>-5.358130280e-03</a5><a6>6.172498470e-06</a6><a7>-2.893870224e-09</a7><b1>-4.324424750e+05</b1><b2>3.040766836e+03</b2></T_range><T_range Thigh="1082.0" Tlow="500.0"><a1>-2.074227934e+05</a1><a2>0.000000000e+00</a2><a3>1.075172627e+01</a3><a4>-7.363421090e-03</a4><a5>7.988904160e-06</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-9.926049480e+04</b1><b2>-5.405566340e+01</b2></T_range></specie><specie inp_file_name="NbO2(I)"><identification><InChIKey>HFLAMWCKUFHSAZ-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[Nb]=O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dioxoniobium</IUPAC_name></identification><comment>Tetragonal. Gurvich,1982 pt1 p78 pt2 p80.</comment><reference>tpis82</reference><elements><element Nb="1" /><element O="2" /></elements><condensed>True</condensed><molecular_weight>0.12490518</molecular_weight><hf298.15>-795000.000</hf298.15><T_range Thigh="2360.0" Tlow="1082.0"><a1>-2.470500366e+05</a1><a2>0.000000000e+00</a2><a3>1.027937906e+01</a3><a4>1.610437657e-04</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-9.951665200e+04</b1><b2>-5.395968051e+01</b2></T_range></specie><specie inp_file_name="NbO2(L)"><identification><InChIKey>HFLAMWCKUFHSAZ-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[Nb]=O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dioxoniobium</IUPAC_name></identification><comment>Liquid. Gurvich,1982 pt1 p78 pt2 p80.</comment><reference>tpis82</reference><elements><element Nb="1" /><element O="2" /></elements><condensed>True</condensed><molecular_weight>0.12490518</molecular_weight><hf298.15>-795000.000</hf298.15><T_range Thigh="6000.0" Tlow="2360.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.202716696e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-9.406789930e+04</b1><b2>-6.330929540e+01</b2></T_range></specie><specie inp_file_name="Nb2O5(cr)"><identification><InChIKey>ZKATWMILCYLAPD-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[Nb](=O)O[Nb](=O)=O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dioxoniobiooxy(dioxo)niobium</IUPAC_name></identification><comment>Monoclinic. Gurvich,1982 pt1 p81 pt2 p82.</comment><reference>tpis82</reference><elements><element Nb="2" /><element O="5" /></elements><condensed>True</condensed><molecular_weight>0.26580976</molecular_weight><hf298.15>-1897000.000</hf298.15><T_range Thigh="500.0" Tlow="200.0"><a1>2.640209200e+07</a1><a2>-4.944721050e+05</a2><a3>3.755171780e+03</a3><a4>-1.472158158e+01</a4><a5>3.190561080e-02</a5><a6>-3.609939830e-05</a6><a7>1.669960716e-08</a7><b1>1.993996743e+06</b1><b2>-1.963185769e+04</b2></T_range><T_range Thigh="1783.0" Tlow="500.0"><a1>2.666894830e+05</a1><a2>0.000000000e+00</a2><a3>-3.157808421e+00</a3><a4>7.820838380e-02</a4><a5>-9.622327490e-05</a5><a6>5.100828450e-08</a6><a7>-9.357603760e-12</a7><b1>-2.290426814e+05</b1><b2>1.650612260e+01</b2></T_range></specie><specie inp_file_name="Nb2O5(L)"><identification><InChIKey>ZKATWMILCYLAPD-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[Nb](=O)O[Nb](=O)=O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dioxoniobiooxy(dioxo)niobium</IUPAC_name></identification><comment>Liquid. Gurvich,1982 pt1 p81 pt2 p82.</comment><reference>tpis82</reference><elements><element Nb="2" /><element O="5" /></elements><condensed>True</condensed><molecular_weight>0.26580976</molecular_weight><hf298.15>-1897000.000</hf298.15><T_range Thigh="6000.0" Tlow="1783.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.405433393e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-2.279011100e+05</b1><b2>-1.212064449e+02</b2></T_range></specie><specie inp_file_name="Ni(cr)"><identification><InChIKey>PXHVJJICTQNCMI-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Ni]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>nickel</IUPAC_name></identification><comment>Crystal Ref-Elm. <lambda trans 631K. Chase,1998 pp1697-700.</comment><reference>j12/76</reference><elements><element Ni="1" /></elements><condensed>True</condensed><molecular_weight>0.0586934</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="400.0" Tlow="200.0"><a1>-7.689131090e+05</a1><a2>1.433956218e+04</a2><a3>-1.042751331e+02</a3><a4>3.926261320e-01</a4><a5>-6.986906890e-04</a5><a6>4.906078910e-07</a6><a7>0.000000000e+00</a7><b1>-6.543789970e+04</b1><b2>5.511391170e+02</b2></T_range><T_range Thigh="631.0" Tlow="400.0"><a1>-3.345887340e+08</a1><a2>3.424527970e+06</a2><a3>-1.394425564e+04</a3><a4>2.825654843e+01</a4><a5>-2.847789131e-02</a5><a6>1.142789828e-05</a6><a7>0.000000000e+00</a7><b1>-1.750250768e+07</b1><b2>8.179861400e+04</b2></T_range></specie><specie inp_file_name="Ni(cr)"><identification><InChIKey>PXHVJJICTQNCMI-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Ni]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>nickel</IUPAC_name></identification><comment>Crystal Ref-Elm. >lambda trans 631K. Chase,1998 pp1697-700.</comment><reference>j12/76</reference><elements><element Ni="1" /></elements><condensed>True</condensed><molecular_weight>0.0586934</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="1200.0" Tlow="631.0"><a1>1.036354737e+09</a1><a2>-6.813278550e+06</a2><a3>1.854367615e+04</a3><a4>-2.673006535e+01</a4><a5>2.153531609e-02</a5><a6>-9.192464140e-06</a6><a7>1.624332987e-09</a7><b1>3.771960950e+07</b1><b2>-1.157617522e+05</b2></T_range><T_range Thigh="1728.0" Tlow="1200.0"><a1>2.518440662e+09</a1><a2>-9.895465230e+06</a2><a3>1.609737530e+04</a3><a4>-1.386478566e+01</a4><a5>6.671320910e-03</a5><a6>-1.698988160e-06</a6><a7>1.788537986e-10</a7><b1>5.987658740e+07</b1><b2>-1.087743318e+05</b2></T_range></specie><specie inp_file_name="Ni(L)"><identification><InChIKey>PXHVJJICTQNCMI-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Ni]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>nickel</IUPAC_name></identification><comment>Liquid. Ref-Elm. Chase,1998 pp1697-700.</comment><reference>j12/76</reference><elements><element Ni="1" /></elements><condensed>True</condensed><molecular_weight>0.0586934</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="6000.0" Tlow="1728.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>4.679890938e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-3.216258550e+02</b1><b2>-2.335474714e+01</b2></T_range></specie><specie inp_file_name="NiS(b)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Beta. Chase,1998 pp1704-6.</comment><reference>j12/76</reference><elements><element Ni="1" /><element S="1" /></elements><condensed>True</condensed><molecular_weight>0.09075839999999999</molecular_weight><hf298.15>-87864.000</hf298.15><T_range Thigh="652.0" Tlow="200.0"><a1>9.281477840e+04</a1><a2>-2.341897035e+03</a2><a3>2.156233266e+01</a3><a4>-5.304222560e-02</a4><a5>9.993984760e-05</a5><a6>-9.111093130e-08</a6><a7>3.288570290e-11</a7><b1>-1.702746009e+03</b1><b2>-1.117002463e+02</b2></T_range></specie><specie inp_file_name="NiS(a)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>ALpha. Chase,1998 pp1704-6.</comment><reference>j12/76</reference><elements><element Ni="1" /><element S="1" /></elements><condensed>True</condensed><molecular_weight>0.09075839999999999</molecular_weight><hf298.15>-87864.000</hf298.15><T_range Thigh="1249.0" Tlow="652.0"><a1>2.424566967e+05</a1><a2>-1.320914239e+03</a2><a3>7.077218200e+00</a3><a4>9.029383650e-05</a4><a5>2.068184040e-06</a5><a6>-6.559770780e-10</a6><a7>8.194048850e-14</a7><b1>-3.434758890e+03</b1><b2>-3.562024750e+01</b2></T_range></specie><specie inp_file_name="NiS(L)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Liquid. Chase,1998 pp1704-6.</comment><reference>j12/76</reference><elements><element Ni="1" /><element S="1" /></elements><condensed>True</condensed><molecular_weight>0.09075839999999999</molecular_weight><hf298.15>-87864.000</hf298.15><T_range Thigh="6000.0" Tlow="1249.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>9.233977709e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.105334670e+04</b1><b2>-4.576765033e+01</b2></T_range></specie><specie inp_file_name="NiS2(cr)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Crystal. Chase,1998 pp1708-10.</comment><reference>j 3/77</reference><elements><element Ni="1" /><element S="2" /></elements><condensed>True</condensed><molecular_weight>0.12282340000000001</molecular_weight><hf298.15>-131377.600</hf298.15><T_range Thigh="1280.0" Tlow="298.15"><a1>-1.676910840e+03</a1><a2>1.842877438e+01</a2><a3>7.671341480e+00</a3><a4>2.663682250e-03</a4><a5>-1.892467189e-07</a5><a6>1.078337009e-10</a6><a7>-2.438956464e-14</a7><b1>-1.831575942e+04</b1><b2>-3.578715100e+01</b2></T_range></specie><specie inp_file_name="NiS2(L)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Liquid. Chase,1998 pp1708-10.</comment><reference>j 3/77</reference><elements><element Ni="1" /><element S="2" /></elements><condensed>True</condensed><molecular_weight>0.12282340000000001</molecular_weight><hf298.15>-131377.600</hf298.15><T_range Thigh="6000.0" Tlow="1280.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.094496248e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.234477669e+04</b1><b2>-4.971946503e+01</b2></T_range></specie><specie inp_file_name="Ni3S2(a)"><identification><InChIKey>YGHCWPXPAHSSNA-UHFFFAOYSA-N</InChIKey><canonical_smiles>S=[Ni].S=[Ni].[Ni]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>nickel;sulfanylidenenickel</IUPAC_name></identification><comment>Alpha. Pankratz,1987 p225-6. Chase,1998 pp1711-3 12/83.</comment><reference>g12/00</reference><elements><element Ni="3" /><element S="2" /></elements><condensed>True</condensed><molecular_weight>0.24021019999999998</molecular_weight><hf298.15>-217986.400</hf298.15><T_range Thigh="834.0" Tlow="200.0"><a1>-6.710970630e+05</a1><a2>9.870810610e+03</a2><a3>-5.338151110e+01</a3><a4>2.311567743e-01</a4><a5>-3.933292800e-04</a5><a6>3.340311640e-07</a6><a7>-1.054748249e-10</a7><b1>-7.620212300e+04</b1><b2>2.954015489e+02</b2></T_range></specie><specie inp_file_name="Ni3S2(b)"><identification><InChIKey>YGHCWPXPAHSSNA-UHFFFAOYSA-N</InChIKey><canonical_smiles>S=[Ni].S=[Ni].[Ni]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>nickel;sulfanylidenenickel</IUPAC_name></identification><comment>Beta. Pankratz,1987 p225-6.</comment><reference>g12/00</reference><elements><element Ni="3" /><element S="2" /></elements><condensed>True</condensed><molecular_weight>0.24021019999999998</molecular_weight><hf298.15>-217986.400</hf298.15><T_range Thigh="1064.0" Tlow="834.0"><a1>-5.072819670e+04</a1><a2>0.000000000e+00</a2><a3>2.665250520e+01</a3><a4>-4.426613790e-03</a4><a5>3.885431570e-07</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-3.142142347e+04</b1><b2>-1.348956828e+02</b2></T_range></specie><specie inp_file_name="Ni3S2(L)"><identification><InChIKey>YGHCWPXPAHSSNA-UHFFFAOYSA-N</InChIKey><canonical_smiles>S=[Ni].S=[Ni].[Ni]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>nickel;sulfanylidenenickel</IUPAC_name></identification><comment>Liquid. Pankratz,1987 p225-6.</comment><reference>g12/00</reference><elements><element Ni="3" /><element S="2" /></elements><condensed>True</condensed><molecular_weight>0.24021019999999998</molecular_weight><hf298.15>-217986.400</hf298.15><T_range Thigh="6000.0" Tlow="1064.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.274539329e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-2.720113051e+04</b1><b2>-1.099086536e+02</b2></T_range></specie><specie inp_file_name="Ni3S4(cr)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Crystal. Chase,1998 p1714.</comment><reference>j 3/77</reference><elements><element Ni="3" /><element S="4" /></elements><condensed>True</condensed><molecular_weight>0.3043402</molecular_weight><hf298.15>-301115.000</hf298.15><T_range Thigh="1100.0" Tlow="298.15"><a1>7.214883180e+03</a1><a2>-7.806476430e+01</a2><a3>1.500658024e+01</a3><a4>1.653827825e-02</a4><a5>8.768311110e-07</a5><a6>-5.301784170e-10</a6><a7>1.279272852e-13</a7><b1>-4.096266670e+04</b1><b2>-6.825975310e+01</b2></T_range></specie><specie inp_file_name="P(cr)"><identification><InChIKey>FZTWZIMSKAGPSB-UHFFFAOYSA-N</InChIKey><canonical_smiles>[P-3]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>phosphorus(3-)</IUPAC_name></identification><comment>White.Ref-Elm. Gurvich,1989 pt1 p395 pt2 p326. Chase,1998.</comment><reference>tpis89</reference><elements><element P="1" /></elements><condensed>True</condensed><molecular_weight>0.030973761</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="317.3" Tlow="195.4"><a1>-4.761561170e+06</a1><a2>1.135422659e+05</a2><a3>-1.120481079e+03</a3><a4>5.889005080e+00</a4><a5>-1.727002916e-02</a5><a6>2.689248597e-05</a6><a7>-1.737186959e-08</a7><b1>-4.829321490e+05</b1><b2>5.551556600e+03</b2></T_range></specie><specie inp_file_name="P(L)"><identification><InChIKey>FZTWZIMSKAGPSB-UHFFFAOYSA-N</InChIKey><canonical_smiles>[P-3]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>phosphorus(3-)</IUPAC_name></identification><comment>Liquid. Ref-Elm. Gurvich,1989 pt1 p395 pt2 p326.</comment><reference>tpis89</reference><elements><element P="1" /></elements><condensed>True</condensed><molecular_weight>0.030973761</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="6000.0" Tlow="317.3"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>3.141496011e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-8.621436240e+02</b1><b2>-1.272272999e+01</b2></T_range></specie><specie inp_file_name="P4O10(cr)"><identification><InChIKey>DLYUQMMRRRQYAE-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=P12OP3(=O)OP(=O)(O1)OP(=O)(O2)O3</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Crystal. Gurvich,1989 pt1 p417 pt2 p270.</comment><reference>tpis89</reference><elements><element P="4" /><element O="10" /></elements><condensed>True</condensed><molecular_weight>0.28388904400000003</molecular_weight><hf298.15>-3010100.000</hf298.15><T_range Thigh="298.15" Tlow="100.0"><a1>-2.910475984e+04</a1><a2>0.000000000e+00</a2><a3>5.209612140e+00</a3><a4>7.058407940e-02</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-3.668178470e+05</b1><b2>-2.310786251e+01</b2></T_range><T_range Thigh="699.0" Tlow="298.15"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>5.461897334e+00</a3><a4>8.078166964e-02</a4><a5>-4.072398734e-05</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-3.668889200e+05</b1><b2>-2.561194012e+01</b2></T_range></specie><specie inp_file_name="P4O10(L)"><identification><InChIKey>DLYUQMMRRRQYAE-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=P12OP3(=O)OP(=O)(O1)OP(=O)(O2)O3</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Liquid. Gurvich,1989 pt1 p417 pt2 p270.</comment><reference>tpis89</reference><elements><element P="4" /><element O="10" /></elements><condensed>True</condensed><molecular_weight>0.28388904400000003</molecular_weight><hf298.15>-3010100.000</hf298.15><T_range Thigh="6000.0" Tlow="699.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>4.450051777e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-3.765523910e+05</b1><b2>-2.311704609e+02</b2></T_range></specie><specie inp_file_name="Pb(cr)"><identification><InChIKey>WABPQHHGFIMREM-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Pb]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>lead</IUPAC_name></identification><comment>Cubic. Ref-Elm. Gurvich,1991 pt1 p400 pt2 p337.</comment><reference>tpis91</reference><elements><element Pb="1" /></elements><condensed>True</condensed><molecular_weight>0.2072</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="600.65" Tlow="200.0"><a1>-6.149670140e+05</a1><a2>1.065718060e+04</a2><a3>-7.129898940e+01</a3><a4>2.668406702e-01</a4><a5>-5.182017320e-04</a5><a6>5.238665090e-07</a6><a7>-2.151645616e-10</a7><b1>-4.974077560e+04</b1><b2>3.855826030e+02</b2></T_range></specie><specie inp_file_name="Pb(L)"><identification><InChIKey>WABPQHHGFIMREM-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Pb]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>lead</IUPAC_name></identification><comment>Liquid. Ref-Elm. Gurvich,1991 pt1 p400 pt2 p337.</comment><reference>tpis91</reference><elements><element Pb="1" /></elements><condensed>True</condensed><molecular_weight>0.2072</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="3600.0" Tlow="600.65"><a1>-3.798179327e+04</a1><a2>0.000000000e+00</a2><a3>4.364298076e+00</a3><a4>-1.236392764e-03</a4><a5>4.946773773e-07</a5><a6>-5.231817630e-11</a6><a7>0.000000000e+00</a7><b1>-8.887330420e+02</b1><b2>-1.619559677e+01</b2></T_range></specie><specie inp_file_name="PbBr2(cr)"><identification><InChIKey>ZASWJUOMEGBQCQ-UHFFFAOYSA-L</InChIKey><canonical_smiles>Br[Pb]Br</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dibromolead</IUPAC_name></identification><comment>Rhombic Crystal. Gurvich,1991 pt1 p435 pt2 p361.</comment><reference>tpis91</reference><elements><element Pb="1" /><element Br="2" /></elements><condensed>True</condensed><molecular_weight>0.367008</molecular_weight><hf298.15>-276700.000</hf298.15><T_range Thigh="298.15" Tlow="100.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>6.565717260e+00</a3><a4>1.959605208e-02</a4><a5>-3.191530530e-05</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-3.582576310e+04</b1><b2>-2.245707569e+01</b2></T_range><T_range Thigh="644.0" Tlow="298.15"><a1>8.046174699e+04</a1><a2>0.000000000e+00</a2><a3>6.899264058e+00</a3><a4>5.925905435e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-3.532970360e+04</b1><b2>-2.124769272e+01</b2></T_range></specie><specie inp_file_name="PbBr2(L)"><identification><InChIKey>ZASWJUOMEGBQCQ-UHFFFAOYSA-L</InChIKey><canonical_smiles>Br[Pb]Br</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dibromolead</IUPAC_name></identification><comment>Liquid. Gurvich,1991 pt1 p435 pt2 p361.</comment><reference>tpis91</reference><elements><element Pb="1" /><element Br="2" /></elements><condensed>True</condensed><molecular_weight>0.367008</molecular_weight><hf298.15>-276700.000</hf298.15><T_range Thigh="6000.0" Tlow="644.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.347042700e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-3.648036370e+04</b1><b2>-5.695842618e+01</b2></T_range></specie><specie inp_file_name="PbCl2(cr)"><identification><InChIKey>HWSZZLVAJGOAAY-UHFFFAOYSA-L</InChIKey><canonical_smiles>Cl[Pb]Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dichlorolead</IUPAC_name></identification><comment>Rhombic Crystal. Gurvich,1991 pt1 p428 pt2 p356.</comment><reference>tpis91</reference><elements><element Pb="1" /><element Cl="2" /></elements><condensed>True</condensed><molecular_weight>0.278106</molecular_weight><hf298.15>-359400.000</hf298.15><T_range Thigh="774.0" Tlow="200.0"><a1>2.697281121e+06</a1><a2>-4.212942350e+04</a2><a3>2.651641932e+02</a3><a4>-7.891350070e-01</a4><a5>1.316948609e-03</a5><a6>-1.123561948e-06</a6><a7>3.854416550e-10</a7><b1>1.522766773e+05</b1><b2>-1.434661776e+03</b2></T_range></specie><specie inp_file_name="PbCl2(L)"><identification><InChIKey>HWSZZLVAJGOAAY-UHFFFAOYSA-L</InChIKey><canonical_smiles>Cl[Pb]Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dichlorolead</IUPAC_name></identification><comment>Liquid. Gurvich,1991 pt1 p428 pt2 p356.</comment><reference>tpis91</reference><elements><element Pb="1" /><element Cl="2" /></elements><condensed>True</condensed><molecular_weight>0.278106</molecular_weight><hf298.15>-359400.000</hf298.15><T_range Thigh="6000.0" Tlow="774.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.335015533e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-4.613690180e+04</b1><b2>-5.953419614e+01</b2></T_range></specie><specie inp_file_name="PbF2(II)"><identification><InChIKey>FPHIOHCCQGUGKU-UHFFFAOYSA-L</InChIKey><canonical_smiles>F[Pb]F</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>difluorolead</IUPAC_name></identification><comment>Rhombic Crystal(II). Gurvich,1991 pt1 p421 pt2 p351.</comment><reference>tpis91</reference><elements><element Pb="1" /><element F="2" /></elements><condensed>True</condensed><molecular_weight>0.24519680640000002</molecular_weight><hf298.15>-676000.000</hf298.15><T_range Thigh="583.0" Tlow="298.15"><a1>1.363880734e+04</a1><a2>0.000000000e+00</a2><a3>7.104086711e+00</a3><a4>4.806777549e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-8.358963280e+04</b1><b2>-2.908385048e+01</b2></T_range></specie><specie inp_file_name="PbF2(I)"><identification><InChIKey>FPHIOHCCQGUGKU-UHFFFAOYSA-L</InChIKey><canonical_smiles>F[Pb]F</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>difluorolead</IUPAC_name></identification><comment>Cubic Crystal(I). Gurvich,1991 pt1 p421 pt2 p351.</comment><reference>tpis91</reference><elements><element Pb="1" /><element F="2" /></elements><condensed>True</condensed><molecular_weight>0.24519680640000002</molecular_weight><hf298.15>-676000.000</hf298.15><T_range Thigh="716.0" Tlow="583.0"><a1>-7.862766417e+07</a1><a2>0.000000000e+00</a2><a3>1.154013526e+03</a3><a4>-2.413080386e+00</a4><a5>1.453441514e-03</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-5.720487300e+05</b1><b2>-6.285579567e+03</b2></T_range><T_range Thigh="1103.0" Tlow="716.0"><a1>3.516663038e+07</a1><a2>0.000000000e+00</a2><a3>-1.580925394e+02</a3><a4>1.905776769e-01</a4><a5>-5.650555475e-05</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>4.370723820e+04</b1><b2>9.735936305e+02</b2></T_range></specie><specie inp_file_name="PbF2(L)"><identification><InChIKey>FPHIOHCCQGUGKU-UHFFFAOYSA-L</InChIKey><canonical_smiles>F[Pb]F</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>difluorolead</IUPAC_name></identification><comment>Liquid. Gurvich,1991 pt1 p421 pt2 p351.</comment><reference>tpis91</reference><elements><element Pb="1" /><element F="2" /></elements><condensed>True</condensed><molecular_weight>0.24519680640000002</molecular_weight><hf298.15>-676000.000</hf298.15><T_range Thigh="6000.0" Tlow="1103.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.310961199e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-8.458950020e+04</b1><b2>-6.282775717e+01</b2></T_range></specie><specie inp_file_name="PbI2(cr)"><identification><InChIKey>RQQRAHKHDFPBMC-UHFFFAOYSA-L</InChIKey><canonical_smiles>I[Pb]I</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>diiodolead</IUPAC_name></identification><comment>Hexagonal Crystal. Gurvich,1991 pt1 p441 pt2 p366.</comment><reference>tpis91</reference><elements><element Pb="1" /><element I="2" /></elements><condensed>True</condensed><molecular_weight>0.46100894</molecular_weight><hf298.15>-176000.000</hf298.15><T_range Thigh="298.15" Tlow="100.0"><a1>-6.615857400e+03</a1><a2>0.000000000e+00</a2><a3>8.879658690e+00</a3><a4>1.758307313e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-2.391562477e+04</b1><b2>-3.012466437e+01</b2></T_range><T_range Thigh="683.0" Tlow="298.15"><a1>4.428402876e+04</a1><a2>0.000000000e+00</a2><a3>7.731062925e+00</a3><a4>3.690055096e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-2.348831172e+04</b1><b2>-2.387008226e+01</b2></T_range></specie><specie inp_file_name="PbI2(L)"><identification><InChIKey>RQQRAHKHDFPBMC-UHFFFAOYSA-L</InChIKey><canonical_smiles>I[Pb]I</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>diiodolead</IUPAC_name></identification><comment>Liquid. Gurvich,1991 pt1 p441 pt2 p366.</comment><reference>tpis91</reference><elements><element Pb="1" /><element I="2" /></elements><condensed>True</condensed><molecular_weight>0.46100894</molecular_weight><hf298.15>-176000.000</hf298.15><T_range Thigh="6000.0" Tlow="683.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.310961199e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-2.355165613e+04</b1><b2>-5.237973135e+01</b2></T_range></specie><specie inp_file_name="PbO(II-r)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Tetragonal (II-red).Gurvich,1991 pt1 p409 pt2 p343.</comment><reference>tpis91</reference><elements><element Pb="1" /><element O="1" /></elements><condensed>True</condensed><molecular_weight>0.2231994</molecular_weight><hf298.15>-218600.000</hf298.15><T_range Thigh="298.15" Tlow="100.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>8.050624580e-01</a3><a4>2.884978163e-02</a4><a5>-4.302158100e-05</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-2.743361905e+04</b1><b2>-3.117085753e+00</b2></T_range><T_range Thigh="762.0" Tlow="298.15"><a1>-6.651023332e+03</a1><a2>0.000000000e+00</a2><a3>4.939557472e+00</a3><a4>2.406636110e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-2.789339075e+04</b1><b2>-2.073932502e+01</b2></T_range></specie><specie inp_file_name="PbO(I-y)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Rhombic (I-yellow).Gurvich,1991 pt1 p409 pt2 p343.</comment><reference>tpis91</reference><elements><element Pb="1" /><element O="1" /></elements><condensed>True</condensed><molecular_weight>0.2231994</molecular_weight><hf298.15>-218600.000</hf298.15><T_range Thigh="1160.0" Tlow="762.0"><a1>-3.360390450e+04</a1><a2>0.000000000e+00</a2><a3>5.407414267e+00</a3><a4>1.595644241e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-2.802576574e+04</b1><b2>-2.321766400e+01</b2></T_range></specie><specie inp_file_name="PbO(L)"><identification><InChIKey>YEXPOXQUZXUXJW-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[Pb]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>oxolead</IUPAC_name></identification><comment>Liquid.Gurvich,1991 pt1 p409 pt2 p343.</comment><reference>tpis91</reference><elements><element Pb="1" /><element O="1" /></elements><condensed>True</condensed><molecular_weight>0.2231994</molecular_weight><hf298.15>-218600.000</hf298.15><T_range Thigh="6000.0" Tlow="1160.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>7.817658527e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-2.664258145e+04</b1><b2>-3.570913839e+01</b2></T_range></specie><specie inp_file_name="PbO2(cr)"><identification><InChIKey>YADSGOSSYOOKMP-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[Pb]=O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dioxolead</IUPAC_name></identification><comment>Tetragonal. Gurvich,1991 pt1 p415 p52 p346.</comment><reference>tpis91</reference><elements><element Pb="1" /><element O="2" /></elements><condensed>True</condensed><molecular_weight>0.23919880000000002</molecular_weight><hf298.15>-276000.000</hf298.15><T_range Thigh="298.15" Tlow="100.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.007530476e-01</a3><a4>4.035527600e-02</a4><a5>-5.395750800e-05</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-3.454199070e+04</b1><b2>-1.557803514e+00</b2></T_range><T_range Thigh="1000.0" Tlow="298.15"><a1>-2.593057198e+05</a1><a2>0.000000000e+00</a2><a3>1.010402297e+01</a3><a4>5.003301457e-04</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-3.709944890e+04</b1><b2>-5.052640331e+01</b2></T_range></specie><specie inp_file_name="PbS(cr)"><identification><InChIKey>XCAUINMIESBTBL-UHFFFAOYSA-N</InChIKey><canonical_smiles>S=[Pb]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>sulfanylidenelead</IUPAC_name></identification><comment>Cubic. Gurvich,1991 pt1 p445 p52 p370.</comment><reference>tpis91</reference><elements><element Pb="1" /><element S="1" /></elements><condensed>True</condensed><molecular_weight>0.23926499999999998</molecular_weight><hf298.15>-99474.800</hf298.15><T_range Thigh="298.15" Tlow="100.0"><a1>-1.110196130e+04</a1><a2>0.000000000e+00</a2><a3>5.788552660e+00</a3><a4>9.715425300e-04</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.377027529e+04</b1><b2>-2.236417313e+01</b2></T_range><T_range Thigh="1386.5" Tlow="298.15"><a1>-7.529006520e+04</a1><a2>0.000000000e+00</a2><a3>7.331760982e+00</a3><a4>-2.262310106e-03</a4><a5>1.609234940e-06</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.431615352e+04</b1><b2>-3.062514348e+01</b2></T_range></specie><specie inp_file_name="PbS(L)"><identification><InChIKey>XCAUINMIESBTBL-UHFFFAOYSA-N</InChIKey><canonical_smiles>S=[Pb]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>sulfanylidenelead</IUPAC_name></identification><comment>Liquid. Gurvich,1991 pt1 p445 p52 p370.</comment><reference>tpis91</reference><elements><element Pb="1" /><element S="1" /></elements><condensed>True</condensed><molecular_weight>0.23926499999999998</molecular_weight><hf298.15>-99474.800</hf298.15><T_range Thigh="6000.0" Tlow="1386.5"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>8.058201866e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.007241100e+04</b1><b2>-3.316574241e+01</b2></T_range></specie><specie inp_file_name="Pb2O3(cr)"><identification><InChIKey>ITQIMUJELZMOQN-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[Pb]O[Pb]=O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>oxo-(oxo-$l^{3}-plumbanyl)oxylead</IUPAC_name></identification><comment>Monoclinic. Gurvich,1991 pt1 p417 pt2 p348.</comment><reference>tpis91</reference><elements><element Pb="2" /><element O="3" /></elements><condensed>True</condensed><molecular_weight>0.4623982</molecular_weight><hf298.15>-491700.000</hf298.15><T_range Thigh="298.15" Tlow="100.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.574967406e+00</a3><a4>6.633690300e-02</a4><a5>-9.449445980e-05</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-6.172080000e+04</b1><b2>-6.282642160e+00</b2></T_range><T_range Thigh="1000.0" Tlow="298.15"><a1>-3.314687215e+05</a1><a2>0.000000000e+00</a2><a3>1.505921576e+01</a3><a4>5.443495768e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-6.498118220e+04</b1><b2>-7.101946635e+01</b2></T_range></specie><specie inp_file_name="Pb3O4(cr)"><identification><InChIKey>XMFOQHDPRMAJNU-UHFFFAOYSA-N</InChIKey><canonical_smiles>O1[Pb]O[Pb]12O[Pb]O2</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>1,3,5,7-tetraoxa-2$l^{2},4,6$l^{2}-triplumbaspiro[3.3]heptane</IUPAC_name></identification><comment>Tetragonal. Gurvich,1991 pt1 p418 pt2 p349.</comment><reference>tpis91</reference><elements><element Pb="3" /><element O="4" /></elements><condensed>True</condensed><molecular_weight>0.6855976</molecular_weight><hf298.15>-720000.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>7.031601470e+06</a1><a2>-8.770415980e+04</a2><a3>4.195886490e+02</a3><a4>-9.058738460e-01</a4><a5>1.138287119e-03</a5><a6>-7.358926050e-07</a6><a7>1.922732625e-10</a7><b1>3.431611340e+05</b1><b2>-2.394229365e+03</b2></T_range></specie><specie inp_file_name="Rb(cr)"><identification><InChIKey>IGLNJRXAVVLDKE-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Rb]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>rubidium</IUPAC_name></identification><comment>Cubic. Ref-Elm. Cox,1989 p260. Chase,1998a p1849 12/83.</comment><reference>coda89</reference><elements><element Rb="1" /></elements><condensed>True</condensed><molecular_weight>0.0854678</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="312.47" Tlow="100.0"><a1>-1.693678854e+05</a1><a2>5.116764690e+03</a2><a3>-5.686760910e+01</a3><a4>3.403543550e-01</a4><a5>-9.347996350e-04</a5><a6>1.017512352e-06</a6><a7>0.000000000e+00</a7><b1>-2.164547399e+04</b1><b2>2.805351095e+02</b2></T_range></specie><specie inp_file_name="Rb(L)"><identification><InChIKey>IGLNJRXAVVLDKE-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Rb]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>rubidium</IUPAC_name></identification><comment>Liquid. Ref-Elm. Cox,1989 p260.</comment><reference>coda89</reference><elements><element Rb="1" /></elements><condensed>True</condensed><molecular_weight>0.0854678</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="1000.0" Tlow="312.47"><a1>2.365752770e+04</a1><a2>2.865695009e+02</a2><a3>1.546589030e+00</a3><a4>5.164698120e-03</a4><a5>-6.065846790e-06</a5><a6>3.347806150e-09</a6><a7>-5.178101420e-13</a7><b1>-1.933656171e+03</b1><b2>1.060307276e+00</b2></T_range><T_range Thigh="2100.0" Tlow="1000.0"><a1>-3.672685780e+05</a1><a2>1.779065421e+03</a2><a3>-3.414096790e-01</a3><a4>5.322070690e-03</a4><a5>-4.262302730e-06</a5><a6>1.699676170e-09</a6><a7>-4.416789770e-14</a7><b1>-1.110894373e+04</b1><b2>1.477099469e+01</b2></T_range></specie><specie inp_file_name="RbBO2(b)"><identification><InChIKey>QXVQCIZYMCIUDZ-UHFFFAOYSA-N</InChIKey><canonical_smiles>B(=O)[O-].[Rb+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>oxido(oxo)borane;rubidium(1+)</IUPAC_name></identification><comment>Gurvich,1982 pt1 p458 pt2 p482.</comment><reference>tpis82</reference><elements><element Rb="1" /><element B="1" /><element O="2" /></elements><condensed>True</condensed><molecular_weight>0.12827760000000002</molecular_weight><hf298.15>-975000.000</hf298.15><T_range Thigh="500.0" Tlow="200.0"><a1>1.320700184e+06</a1><a2>-2.114255330e+04</a2><a3>1.338015047e+02</a3><a4>-3.804509820e-01</a4><a5>6.570568430e-04</a5><a6>-5.884791840e-07</a6><a7>2.152384344e-10</a7><b1>-2.010026759e+04</b1><b2>-7.254857290e+02</b2></T_range><T_range Thigh="968.0" Tlow="500.0"><a1>-1.553422560e+05</a1><a2>0.000000000e+00</a2><a3>9.425074910e+00</a3><a4>3.853433670e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.207672511e+05</b1><b2>-4.437890740e+01</b2></T_range></specie><specie inp_file_name="RbBO2(a)"><identification><InChIKey>QXVQCIZYMCIUDZ-UHFFFAOYSA-N</InChIKey><canonical_smiles>B(=O)[O-].[Rb+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>oxido(oxo)borane;rubidium(1+)</IUPAC_name></identification><comment>Gurvich,1982 pt1 p458 pt2 p482.</comment><reference>tpis82</reference><elements><element Rb="1" /><element B="1" /><element O="2" /></elements><condensed>True</condensed><molecular_weight>0.12827760000000002</molecular_weight><hf298.15>-975000.000</hf298.15><T_range Thigh="1133.0" Tlow="968.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.298934032e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.222516025e+05</b1><b2>-6.507104425e+01</b2></T_range></specie><specie inp_file_name="RbBO2(L)"><identification><InChIKey>QXVQCIZYMCIUDZ-UHFFFAOYSA-N</InChIKey><canonical_smiles>B(=O)[O-].[Rb+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>oxido(oxo)borane;rubidium(1+)</IUPAC_name></identification><comment>Gurvich,1982 pt1 p458 pt2 p482.</comment><reference>tpis82</reference><elements><element Rb="1" /><element B="1" /><element O="2" /></elements><condensed>True</condensed><molecular_weight>0.12827760000000002</molecular_weight><hf298.15>-975000.000</hf298.15><T_range Thigh="6000.0" Tlow="1133.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.743939210e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.235650894e+05</b1><b2>-9.307583456e+01</b2></T_range></specie><specie inp_file_name="RbBr(cr)"><identification><InChIKey>JAAGVIUFBAHDMA-UHFFFAOYSA-M</InChIKey><canonical_smiles>[Br-].[Rb+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>rubidium(1+);bromide</IUPAC_name></identification><comment>Cubic. Gurvich,1982 pt1 p445 pt2 p469.</comment><reference>tpis82</reference><elements><element Rb="1" /><element Br="1" /></elements><condensed>True</condensed><molecular_weight>0.1653718</molecular_weight><hf298.15>-394770.000</hf298.15><T_range Thigh="965.0" Tlow="200.0"><a1>-5.724525880e+04</a1><a2>9.082670760e+02</a2><a3>4.275929780e-01</a3><a4>1.751269798e-02</a4><a5>-2.421969308e-05</a5><a6>1.854230436e-08</a6><a7>-5.603980870e-12</a7><b1>-5.357247720e+04</b1><b2>9.232346100e+00</b2></T_range></specie><specie inp_file_name="RbBr(L)"><identification><InChIKey>JAAGVIUFBAHDMA-UHFFFAOYSA-M</InChIKey><canonical_smiles>[Br-].[Rb+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>rubidium(1+);bromide</IUPAC_name></identification><comment>Liquid. Gurvich,1982 pt1 p445 pt2 p469.</comment><reference>tpis82</reference><elements><element Rb="1" /><element Br="1" /></elements><condensed>True</condensed><molecular_weight>0.1653718</molecular_weight><hf298.15>-394770.000</hf298.15><T_range Thigh="6000.0" Tlow="965.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>8.755777550e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-4.852456540e+04</b1><b2>-3.604442573e+01</b2></T_range></specie><specie inp_file_name="RbCl(cr)"><identification><InChIKey>FGDZQCVHDSGLHJ-UHFFFAOYSA-M</InChIKey><canonical_smiles>[Cl-].[Rb+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>rubidium(1+);chloride</IUPAC_name></identification><comment>Cubic. Gurvich,1982 pt1 p441 pt2 p466.</comment><reference>tpis82</reference><elements><element Rb="1" /><element Cl="1" /></elements><condensed>True</condensed><molecular_weight>0.1209208</molecular_weight><hf298.15>-435220.000</hf298.15><T_range Thigh="997.0" Tlow="200.0"><a1>-5.731907690e+04</a1><a2>4.298433250e+02</a2><a3>4.955874940e+00</a3><a4>9.930643910e-04</a4><a5>3.857679940e-06</a5><a6>-4.516778380e-09</a6><a7>1.683809372e-12</a7><b1>-5.653364290e+04</b1><b2>-1.609477359e+01</b2></T_range></specie><specie inp_file_name="RbCl(L)"><identification><InChIKey>FGDZQCVHDSGLHJ-UHFFFAOYSA-M</InChIKey><canonical_smiles>[Cl-].[Rb+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>rubidium(1+);chloride</IUPAC_name></identification><comment>Liquid. Gurvich,1982 pt1 p441 pt2 p466.</comment><reference>tpis82</reference><elements><element Rb="1" /><element Cl="1" /></elements><condensed>True</condensed><molecular_weight>0.1209208</molecular_weight><hf298.15>-435220.000</hf298.15><T_range Thigh="6000.0" Tlow="997.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>8.827940552e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-5.345006300e+04</b1><b2>-3.845805693e+01</b2></T_range></specie><specie inp_file_name="RbF(cr)"><identification><InChIKey>AHLATJUETSFVIM-UHFFFAOYSA-M</InChIKey><canonical_smiles>[F-].[Rb+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>rubidium(1+);fluoride</IUPAC_name></identification><comment>Cubic. Gurvich,1982 pt1 p438 pt2 p463.</comment><reference>tpis82</reference><elements><element Rb="1" /><element F="1" /></elements><condensed>True</condensed><molecular_weight>0.1044662032</molecular_weight><hf298.15>-559700.000</hf298.15><T_range Thigh="1068.0" Tlow="298.15"><a1>5.640741306e+03</a1><a2>0.000000000e+00</a2><a3>5.092663308e+00</a3><a4>3.129949931e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-6.895462790e+04</b1><b2>-2.057230003e+01</b2></T_range></specie><specie inp_file_name="RbF(L)"><identification><InChIKey>AHLATJUETSFVIM-UHFFFAOYSA-M</InChIKey><canonical_smiles>[F-].[Rb+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>rubidium(1+);fluoride</IUPAC_name></identification><comment>Liquid. Gurvich,1982 pt1 p438 pt2 p463.</comment><reference>tpis82</reference><elements><element Rb="1" /><element F="1" /></elements><condensed>True</condensed><molecular_weight>0.1044662032</molecular_weight><hf298.15>-559700.000</hf298.15><T_range Thigh="6000.0" Tlow="1068.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>8.539288545e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-6.775044270e+04</b1><b2>-3.835948403e+01</b2></T_range></specie><specie inp_file_name="RbH(cr)"><identification><InChIKey>FABXTBQKJHJDMC-UHFFFAOYSA-N</InChIKey><canonical_smiles>[H-].[Rb+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>hydride;rubidium(1+)</IUPAC_name></identification><comment>Cubic. Gurvich,1982 pt1 p434 pt2 p458.</comment><reference>tpis82</reference><elements><element Rb="1" /><element H="1" /></elements><condensed>True</condensed><molecular_weight>0.08647574</molecular_weight><hf298.15>-52300.000</hf298.15><T_range Thigh="858.0" Tlow="298.15"><a1>-6.384020225e+04</a1><a2>0.000000000e+00</a2><a3>4.263149602e+00</a3><a4>3.963552873e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-7.951554350e+03</b1><b2>-1.816921793e+01</b2></T_range></specie><specie inp_file_name="RbH(L)"><identification><InChIKey>FABXTBQKJHJDMC-UHFFFAOYSA-N</InChIKey><canonical_smiles>[H-].[Rb+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>hydride;rubidium(1+)</IUPAC_name></identification><comment>Liquid. Gurvich,1982 pt1 p434 pt2 p458.</comment><reference>tpis82</reference><elements><element Rb="1" /><element H="1" /></elements><condensed>True</condensed><molecular_weight>0.08647574</molecular_weight><hf298.15>-52300.000</hf298.15><T_range Thigh="6000.0" Tlow="858.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>6.735213500e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-5.893290150e+03</b1><b2>-2.833905350e+01</b2></T_range></specie><specie inp_file_name="RbI(cr)"><identification><InChIKey>WFUBYPSJBBQSOU-UHFFFAOYSA-M</InChIKey><canonical_smiles>[Rb+].[I-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>rubidium(1+);iodide</IUPAC_name></identification><comment>Cubic. Gurvich,1982 pt1 p448 pt2 p472.</comment><reference>tpis82</reference><elements><element Rb="1" /><element I="1" /></elements><condensed>True</condensed><molecular_weight>0.21237226999999997</molecular_weight><hf298.15>-333600.000</hf298.15><T_range Thigh="929.0" Tlow="200.0"><a1>-1.871461077e+05</a1><a2>2.207646572e+03</a2><a3>-3.199388250e+00</a3><a4>1.739850250e-02</a4><a5>-1.184152545e-05</a5><a6>3.313152520e-09</a6><a7>3.472456000e-13</a7><b1>-5.305010310e+04</b1><b2>3.417793530e+01</b2></T_range></specie><specie inp_file_name="RbI(L)"><identification><InChIKey>WFUBYPSJBBQSOU-UHFFFAOYSA-M</InChIKey><canonical_smiles>[Rb+].[I-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>rubidium(1+);iodide</IUPAC_name></identification><comment>Liquid. Gurvich,1982 pt1 p448 pt2 p472.</comment><reference>tpis82</reference><elements><element Rb="1" /><element I="1" /></elements><condensed>True</condensed><molecular_weight>0.21237226999999997</molecular_weight><hf298.15>-333600.000</hf298.15><T_range Thigh="6000.0" Tlow="929.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>8.671587382e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-4.112940250e+04</b1><b2>-3.435941214e+01</b2></T_range></specie><specie inp_file_name="RbNO2(I)"><identification><InChIKey>VPMVPQJJBGXJAI-UHFFFAOYSA-M</InChIKey><canonical_smiles>N(=O)[O-].[Rb+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>rubidium(1+);nitrite</IUPAC_name></identification><comment>Cubic. Gurvich,1982 pt1 p453 pt2 p477.</comment><reference>tpis82</reference><elements><element Rb="1" /><element N="1" /><element O="2" /></elements><condensed>True</condensed><molecular_weight>0.1314733</molecular_weight><hf298.15>-367000.000</hf298.15><T_range Thigh="695.0" Tlow="298.15"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>9.108895172e+00</a3><a4>3.333690139e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-4.700369140e+04</b1><b2>-3.340874045e+01</b2></T_range></specie><specie inp_file_name="RbNO2(L)"><identification><InChIKey>VPMVPQJJBGXJAI-UHFFFAOYSA-M</InChIKey><canonical_smiles>N(=O)[O-].[Rb+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>rubidium(1+);nitrite</IUPAC_name></identification><comment>Liquid. Gurvich,1982 pt1 p453 pt2 p477.</comment><reference>tpis82</reference><elements><element Rb="1" /><element N="1" /><element O="2" /></elements><condensed>True</condensed><molecular_weight>0.1314733</molecular_weight><hf298.15>-367000.000</hf298.15><T_range Thigh="6000.0" Tlow="695.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.250825364e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-4.710583050e+04</b1><b2>-5.124298955e+01</b2></T_range></specie><specie inp_file_name="RbNO3(IV)"><identification><InChIKey>RTHYXYOJKHGZJT-UHFFFAOYSA-N</InChIKey><canonical_smiles>[N+](=O)([O-])[O-].[Rb+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>rubidium(1+);nitrate</IUPAC_name></identification><comment>Hexagonal. Gurvich,1982 pt1 p455 pt2 p479.</comment><reference>tpis82</reference><elements><element Rb="1" /><element N="1" /><element O="3" /></elements><condensed>True</condensed><molecular_weight>0.1474727</molecular_weight><hf298.15>-494700.000</hf298.15><T_range Thigh="437.0" Tlow="200.0"><a1>1.211253372e+07</a1><a2>-2.028159094e+05</a2><a3>1.325899840e+03</a3><a4>-4.151421820e+00</a4><a5>6.401606600e-03</a5><a6>-3.822822630e-06</a6><a7>0.000000000e+00</a7><b1>8.768873850e+05</b1><b2>-7.162144700e+03</b2></T_range></specie><specie inp_file_name="RbNO3(III)"><identification><InChIKey>RTHYXYOJKHGZJT-UHFFFAOYSA-N</InChIKey><canonical_smiles>[N+](=O)([O-])[O-].[Rb+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>rubidium(1+);nitrate</IUPAC_name></identification><comment>Cubic. Gurvich,1982 pt1 p455 pt2 p479.</comment><reference>tpis82</reference><elements><element Rb="1" /><element N="1" /><element O="3" /></elements><condensed>True</condensed><molecular_weight>0.1474727</molecular_weight><hf298.15>-494700.000</hf298.15><T_range Thigh="493.0" Tlow="437.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>9.120561524e+00</a3><a4>1.643716828e-02</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-6.277664760e+04</b1><b2>-3.918776498e+01</b2></T_range></specie><specie inp_file_name="RbNO3(II)"><identification><InChIKey>RTHYXYOJKHGZJT-UHFFFAOYSA-N</InChIKey><canonical_smiles>[N+](=O)([O-])[O-].[Rb+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>rubidium(1+);nitrate</IUPAC_name></identification><comment>Hexagonal. Gurvich,1982 pt1 p455 pt2 p479.</comment><reference>tpis82</reference><elements><element Rb="1" /><element N="1" /><element O="3" /></elements><condensed>True</condensed><molecular_weight>0.1474727</molecular_weight><hf298.15>-494700.000</hf298.15><T_range Thigh="556.0" Tlow="493.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.078616780e+02</a3><a4>-2.821762196e-01</a4><a5>0.000000000e+00</a5><a6>3.922207081e-07</a6><a7>0.000000000e+00</a7><b1>-8.057470150e+04</b1><b2>-5.191016028e+02</b2></T_range></specie><specie inp_file_name="RbNO3(I)"><identification><InChIKey>RTHYXYOJKHGZJT-UHFFFAOYSA-N</InChIKey><canonical_smiles>[N+](=O)([O-])[O-].[Rb+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>rubidium(1+);nitrate</IUPAC_name></identification><comment>Cubic. Gurvich,1982 pt1 p455 pt2 p479.</comment><reference>tpis82</reference><elements><element Rb="1" /><element N="1" /><element O="3" /></elements><condensed>True</condensed><molecular_weight>0.1474727</molecular_weight><hf298.15>-494700.000</hf298.15><T_range Thigh="583.0" Tlow="556.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.755966377e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-6.449488250e+04</b1><b2>-8.253206472e+01</b2></T_range></specie><specie inp_file_name="RbNO3(L)"><identification><InChIKey>RTHYXYOJKHGZJT-UHFFFAOYSA-N</InChIKey><canonical_smiles>[N+](=O)([O-])[O-].[Rb+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>rubidium(1+);nitrate</IUPAC_name></identification><comment>Liquid. Gurvich,1982 pt1 p455 pt2 p479.</comment><reference>tpis82</reference><elements><element Rb="1" /><element N="1" /><element O="3" /></elements><condensed>True</condensed><molecular_weight>0.1474727</molecular_weight><hf298.15>-494700.000</hf298.15><T_range Thigh="6000.0" Tlow="583.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.755966377e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-6.394163280e+04</b1><b2>-8.158309442e+01</b2></T_range></specie><specie inp_file_name="RbOH(b)"><identification><InChIKey>CPRMKOQKXYSDML-UHFFFAOYSA-M</InChIKey><canonical_smiles>[OH-].[Rb+]</canonical_smiles><cas_number>1310-82-3</cas_number><IUPAC_name>rubidium(1+);hydroxide</IUPAC_name></identification><comment>Beta. Gurvich,1997.</comment><reference>g 8/97</reference><elements><element Rb="1" /><element O="1" /><element H="1" /></elements><condensed>True</condensed><molecular_weight>0.10247513999999999</molecular_weight><hf298.15>-418800.000</hf298.15><T_range Thigh="508.0" Tlow="298.15"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>6.589925323e+00</a3><a4>5.731305874e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-5.258929920e+04</b1><b2>-2.794998878e+01</b2></T_range></specie><specie inp_file_name="RbOH(c)"><identification><InChIKey>CPRMKOQKXYSDML-UHFFFAOYSA-M</InChIKey><canonical_smiles>[OH-].[Rb+]</canonical_smiles><cas_number>1310-82-3</cas_number><IUPAC_name>rubidium(1+);hydroxide</IUPAC_name></identification><comment>Gamma. Gurvich,1997.</comment><reference>g 8/97</reference><elements><element Rb="1" /><element O="1" /><element H="1" /></elements><condensed>True</condensed><molecular_weight>0.10247513999999999</molecular_weight><hf298.15>-418800.000</hf298.15><T_range Thigh="658.0" Tlow="508.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>9.140646893e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-5.248404970e+04</b1><b2>-3.962855491e+01</b2></T_range></specie><specie inp_file_name="RbOH(L)"><identification><InChIKey>CPRMKOQKXYSDML-UHFFFAOYSA-M</InChIKey><canonical_smiles>[OH-].[Rb+]</canonical_smiles><cas_number>1310-82-3</cas_number><IUPAC_name>rubidium(1+);hydroxide</IUPAC_name></identification><comment>Liquid. Gurvich,1997.</comment><reference>g 8/97</reference><elements><element Rb="1" /><element O="1" /><element H="1" /></elements><condensed>True</condensed><molecular_weight>0.10247513999999999</molecular_weight><hf298.15>-418800.000</hf298.15><T_range Thigh="6000.0" Tlow="658.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.034336359e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-5.231326390e+04</b1><b2>-4.597096049e+01</b2></T_range></specie><specie inp_file_name="RbO2(b)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Beta,hexagonal. Gurvich,1982 pt1 p430 pt2 p453.</comment><reference>tpis82</reference><elements><element Rb="1" /><element O="2" /></elements><condensed>True</condensed><molecular_weight>0.1174666</molecular_weight><hf298.15>-279100.000</hf298.15><T_range Thigh="423.0" Tlow="200.0"><a1>-5.914373690e+05</a1><a2>9.356154690e+03</a2><a3>-5.173703230e+01</a3><a4>1.872603527e-01</a4><a5>-2.664203296e-04</a5><a6>1.581120816e-07</a6><a7>0.000000000e+00</a7><b1>-7.971547560e+04</b1><b2>2.930911089e+02</b2></T_range></specie><specie inp_file_name="RbO2(a)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Alpha,cubic. Gurvich,1982 pt1 p430 pt2 p453.</comment><reference>tpis82</reference><elements><element Rb="1" /><element O="2" /></elements><condensed>True</condensed><molecular_weight>0.1174666</molecular_weight><hf298.15>-279100.000</hf298.15><T_range Thigh="813.0" Tlow="423.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.058390693e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-3.680173520e+04</b1><b2>-4.488768335e+01</b2></T_range></specie><specie inp_file_name="RbO2(L)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Liquid. Gurvich,1982 pt1 p430 pt2 p453.</comment><reference>tpis82</reference><elements><element Rb="1" /><element O="2" /></elements><condensed>True</condensed><molecular_weight>0.1174666</molecular_weight><hf298.15>-279100.000</hf298.15><T_range Thigh="6000.0" Tlow="813.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.202716696e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-3.544940050e+04</b1><b2>-5.145193248e+01</b2></T_range></specie><specie inp_file_name="Rb2CO3(a)"><identification><InChIKey>WPFGFHJALYCVMO-UHFFFAOYSA-L</InChIKey><canonical_smiles>C(=O)([O-])[O-].[Rb+].[Rb+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>rubidium(1+);carbonate</IUPAC_name></identification><comment>Alpha,monoclinic. Gurvich,1982 pt1 p457 pt2 p481.</comment><reference>tpis82</reference><elements><element Rb="2" /><element C="1" /><element O="3" /></elements><condensed>True</condensed><molecular_weight>0.2309445</molecular_weight><hf298.15>-1132600.000</hf298.15><T_range Thigh="576.0" Tlow="200.0"><a1>-1.377487286e+06</a1><a2>2.415872404e+04</a2><a3>-1.620555595e+02</a3><a4>6.425655960e-01</a4><a5>-1.249826185e-03</a5><a6>1.304525231e-06</a6><a7>-5.552423710e-10</a7><b1>-2.500033904e+05</b1><b2>8.719586300e+02</b2></T_range></specie><specie inp_file_name="Rb2CO3(b)"><identification><InChIKey>WPFGFHJALYCVMO-UHFFFAOYSA-L</InChIKey><canonical_smiles>C(=O)([O-])[O-].[Rb+].[Rb+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>rubidium(1+);carbonate</IUPAC_name></identification><comment>Beta,hexagonal. Gurvich,1982 pt1 p457 pt2 p481.</comment><reference>tpis82</reference><elements><element Rb="2" /><element C="1" /><element O="3" /></elements><condensed>True</condensed><molecular_weight>0.2309445</molecular_weight><hf298.15>-1132600.000</hf298.15><T_range Thigh="1146.0" Tlow="576.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.355678206e+01</a3><a4>8.280944999e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.405896222e+05</b1><b2>-5.801044809e+01</b2></T_range></specie><specie inp_file_name="Rb2CO3(L)"><identification><InChIKey>WPFGFHJALYCVMO-UHFFFAOYSA-L</InChIKey><canonical_smiles>C(=O)([O-])[O-].[Rb+].[Rb+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>rubidium(1+);carbonate</IUPAC_name></identification><comment>Liquid. Gurvich,1982 pt1 457 pt2 p481.</comment><reference>tpis82</reference><elements><element Rb="2" /><element C="1" /><element O="3" /></elements><condensed>True</condensed><molecular_weight>0.2309445</molecular_weight><hf298.15>-1132600.000</hf298.15><T_range Thigh="6000.0" Tlow="1146.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.465569228e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.442630744e+05</b1><b2>-1.235531008e+02</b2></T_range></specie><specie inp_file_name="Rb2O(c)"><identification><InChIKey>CWBWCLMMHLCMAM-UHFFFAOYSA-M</InChIKey><canonical_smiles>[OH-].[Rb+].[Rb+]</canonical_smiles><cas_number>18088-11-4</cas_number><IUPAC_name>rubidium(1+);hydroxide</IUPAC_name></identification><comment>Gamma,cubic. Gurvich,1982 pt1 p431 pt2 p454.</comment><reference>tpis82</reference><elements><element Rb="2" /><element O="1" /></elements><condensed>True</condensed><molecular_weight>0.186935</molecular_weight><hf298.15>-338000.000</hf298.15><T_range Thigh="543.0" Tlow="298.15"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>6.190743652e+00</a3><a4>9.087246272e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-4.290149280e+04</b1><b2>-2.294776447e+01</b2></T_range></specie><specie inp_file_name="Rb2O(b)"><identification><InChIKey>CWBWCLMMHLCMAM-UHFFFAOYSA-M</InChIKey><canonical_smiles>[OH-].[Rb+].[Rb+]</canonical_smiles><cas_number>18088-11-4</cas_number><IUPAC_name>rubidium(1+);hydroxide</IUPAC_name></identification><comment>Beta,cubic. Gurvich,1982 pt1 p431 pt2 p454.</comment><reference>tpis82</reference><elements><element Rb="2" /><element O="1" /></elements><condensed>True</condensed><molecular_weight>0.186935</molecular_weight><hf298.15>-338000.000</hf298.15><T_range Thigh="613.0" Tlow="543.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.202716696e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-4.464679770e+04</b1><b2>-5.461093903e+01</b2></T_range></specie><specie inp_file_name="Rb2O(a)"><identification><InChIKey>CWBWCLMMHLCMAM-UHFFFAOYSA-M</InChIKey><canonical_smiles>[OH-].[Rb+].[Rb+]</canonical_smiles><cas_number>18088-11-4</cas_number><IUPAC_name>rubidium(1+);hydroxide</IUPAC_name></identification><comment>Alpha,hexagonal. Gurvich,1982 pt1 p431 pt2 p454.</comment><reference>tpis82</reference><elements><element Rb="2" /><element O="1" /></elements><condensed>True</condensed><molecular_weight>0.186935</molecular_weight><hf298.15>-338000.000</hf298.15><T_range Thigh="778.0" Tlow="613.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.202716696e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-4.416571100e+04</b1><b2>-5.382613205e+01</b2></T_range></specie><specie inp_file_name="Rb2O(L)"><identification><InChIKey>CWBWCLMMHLCMAM-UHFFFAOYSA-M</InChIKey><canonical_smiles>[OH-].[Rb+].[Rb+]</canonical_smiles><cas_number>18088-11-4</cas_number><IUPAC_name>rubidium(1+);hydroxide</IUPAC_name></identification><comment>Liquid. Gurvich,1982 pt1 p431 pt2 p454.</comment><reference>tpis82</reference><elements><element Rb="2" /><element O="1" /></elements><condensed>True</condensed><molecular_weight>0.186935</molecular_weight><hf298.15>-338000.000</hf298.15><T_range Thigh="6000.0" Tlow="778.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.202716696e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-4.176027770e+04</b1><b2>-5.073431535e+01</b2></T_range></specie><specie inp_file_name="Rb2O2(b)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Beta,rhombic Gurvich,1982 pt1 p433 pt2 p456.</comment><reference>tpis82</reference><elements><element Rb="2" /><element O="2" /></elements><condensed>True</condensed><molecular_weight>0.20293440000000001</molecular_weight><hf298.15>-410000.000</hf298.15><T_range Thigh="398.0" Tlow="298.15"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.566116344e+00</a3><a4>2.890861879e-02</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-5.136136520e+04</b1><b2>-3.996333599e+00</b2></T_range></specie><specie inp_file_name="Rb2O2(a)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Alpha,cubic. Gurvich,1982 pt1 p433 pt2 p456.</comment><reference>tpis82</reference><elements><element Rb="2" /><element O="2" /></elements><condensed>True</condensed><molecular_weight>0.20293440000000001</molecular_weight><hf298.15>-410000.000</hf298.15><T_range Thigh="843.0" Tlow="398.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.407178535e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-5.365100100e+04</b1><b2>-6.136883861e+01</b2></T_range></specie><specie inp_file_name="Rb2O2(L)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Liquid. Gurvich,1982 pt1 p433 pt2 p456.</comment><reference>tpis82</reference><elements><element Rb="2" /><element O="2" /></elements><condensed>True</condensed><molecular_weight>0.20293440000000001</molecular_weight><hf298.15>-410000.000</hf298.15><T_range Thigh="6000.0" Tlow="843.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.611640373e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-5.284890920e+04</b1><b2>-7.214727369e+01</b2></T_range></specie><specie inp_file_name="Rb2SO4(a)"><identification><InChIKey>GANPIEKBSASAOC-UHFFFAOYSA-L</InChIKey><canonical_smiles>[O-]S(=O)(=O)[O-].[Rb+].[Rb+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>rubidium(1+);sulfate</IUPAC_name></identification><comment>Alpha,rhombic. Gurvich,1982 pt1 p451 pt2 p475.</comment><reference>tpis82</reference><elements><element Rb="2" /><element S="1" /><element O="4" /></elements><condensed>True</condensed><molecular_weight>0.2669982</molecular_weight><hf298.15>-1435900.000</hf298.15><T_range Thigh="500.0" Tlow="200.0"><a1>-1.192448350e+07</a1><a2>2.294293959e+05</a2><a3>-1.785117228e+03</a3><a4>7.309062720e+00</a4><a5>-1.617521748e-02</a5><a6>1.861676545e-05</a6><a7>-8.714648070e-09</a7><b1>-1.202291196e+06</b1><b2>9.289553650e+03</b2></T_range><T_range Thigh="800.0" Tlow="500.0"><a1>-4.871322610e+05</a1><a2>0.000000000e+00</a2><a3>2.853725036e+01</a3><a4>-3.587804810e-02</a4><a5>4.220439770e-05</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.816178572e+05</b1><b2>-1.327574146e+02</b2></T_range><T_range Thigh="931.0" Tlow="800.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>3.464686434e+02</a3><a4>-6.082068577e-01</a4><a5>0.000000000e+00</a5><a6>3.246132364e-07</a6><a7>0.000000000e+00</a7><b1>-2.782463487e+05</b1><b2>-1.841656965e+03</b2></T_range></specie><specie inp_file_name="Rb2SO4(b)"><identification><InChIKey>GANPIEKBSASAOC-UHFFFAOYSA-L</InChIKey><canonical_smiles>[O-]S(=O)(=O)[O-].[Rb+].[Rb+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>rubidium(1+);sulfate</IUPAC_name></identification><comment>Beta,hexagonal. Gurvich,1982 pt1 p451 pt2 p475.</comment><reference>tpis82</reference><elements><element Rb="2" /><element S="1" /><element O="4" /></elements><condensed>True</condensed><molecular_weight>0.2669982</molecular_weight><hf298.15>-1435900.000</hf298.15><T_range Thigh="1343.0" Tlow="931.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.107353290e+01</a3><a4>1.230667833e-02</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.739435450e+05</b1><b2>-3.919109508e+01</b2></T_range></specie><specie inp_file_name="Rb2SO4(L)"><identification><InChIKey>GANPIEKBSASAOC-UHFFFAOYSA-L</InChIKey><canonical_smiles>[O-]S(=O)(=O)[O-].[Rb+].[Rb+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>rubidium(1+);sulfate</IUPAC_name></identification><comment>Liquid. Gurvich,1982 pt1 p451 pt2 p475.</comment><reference>tpis82</reference><elements><element Rb="2" /><element S="1" /><element O="4" /></elements><condensed>True</condensed><molecular_weight>0.2669982</molecular_weight><hf298.15>-1435900.000</hf298.15><T_range Thigh="6000.0" Tlow="1343.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.483609978e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.768420750e+05</b1><b2>-1.184499504e+02</b2></T_range></specie><specie inp_file_name="S(a)"><identification><InChIKey>UCKMPCXJQFINFW-UHFFFAOYSA-N</InChIKey><canonical_smiles>[S-2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>sulfide</IUPAC_name></identification><comment>Alpha. Ref-Elm. Gurvich,1989 pt1 p265 pt2 p160.</comment><reference>tpis89</reference><elements><element S="1" /></elements><condensed>True</condensed><molecular_weight>0.032064999999999996</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="368.3" Tlow="200.0"><a1>-1.035710779e+04</a1><a2>0.000000000e+00</a2><a3>1.866766938e+00</a3><a4>4.256140250e-03</a4><a5>-3.265252270e-06</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-7.516389580e+02</b1><b2>-7.961066980e+00</b2></T_range></specie><specie inp_file_name="S(b)"><identification><InChIKey>UCKMPCXJQFINFW-UHFFFAOYSA-N</InChIKey><canonical_smiles>[S-2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>sulfide</IUPAC_name></identification><comment>Beta. Ref-Elm. Gurvich,1989 pt1 p265 pt2 p160.</comment><reference>tpis89</reference><elements><element S="1" /></elements><condensed>True</condensed><molecular_weight>0.032064999999999996</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="388.36" Tlow="368.3"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.080514131e+00</a3><a4>2.440879557e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-6.852714730e+02</b1><b2>-8.607846750e+00</b2></T_range></specie><specie inp_file_name="S(L)"><identification><InChIKey>UCKMPCXJQFINFW-UHFFFAOYSA-N</InChIKey><canonical_smiles>[S-2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>sulfide</IUPAC_name></identification><comment>Liquid. Ref-Elm. Gurvich,1989 pt1 p265 pt2 p160.</comment><reference>tpis89</reference><elements><element S="1" /></elements><condensed>True</condensed><molecular_weight>0.032064999999999996</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="428.15" Tlow="388.36"><a1>-6.366550765e+07</a1><a2>0.000000000e+00</a2><a3>2.376860693e+03</a3><a4>-7.888076026e+00</a4><a5>7.376076522e-03</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-6.356594920e+05</b1><b2>-1.186929589e+04</b2></T_range><T_range Thigh="432.25" Tlow="428.15"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>6.928522306e+03</a3><a4>-3.254655981e+01</a4><a5>3.824448176e-02</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-9.832222680e+05</b1><b2>-3.154806751e+04</b2></T_range><T_range Thigh="453.15" Tlow="432.25"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.649945697e+02</a3><a4>-6.843534977e-01</a4><a5>7.315907973e-04</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-2.638846929e+04</b1><b2>-7.681730097e+02</b2></T_range><T_range Thigh="717.0" Tlow="453.15"><a1>1.972984578e+06</a1><a2>0.000000000e+00</a2><a3>-2.441009753e+01</a3><a4>6.090352889e-02</a4><a5>-3.744069103e-05</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>1.113013440e+04</b1><b2>1.363174183e+02</b2></T_range><T_range Thigh="6000.0" Tlow="717.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>3.848693429e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-8.284589830e+02</b1><b2>-1.736128237e+01</b2></T_range></specie><specie inp_file_name="SCl2(L)"><identification><InChIKey>FWMUJAIKEJWSSY-UHFFFAOYSA-N</InChIKey><canonical_smiles>S(Cl)Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>chloro thiohypochlorite</IUPAC_name></identification><comment>Chase,1998 p855.</comment><reference>j 6/78</reference><elements><element S="1" /><element Cl="2" /></elements><condensed>True</condensed><molecular_weight>0.10297100000000001</molecular_weight><hf298.15>-49790.000</hf298.15><T_range Thigh="6000.0" Tlow="298.15"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.094496248e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-9.251567000e+03</b1><b2>-4.026872255e+01</b2></T_range></specie><specie inp_file_name="S2Cl2(L)"><identification><InChIKey>PXJJSXABGXMUSU-UHFFFAOYSA-N</InChIKey><canonical_smiles>S(SCl)Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>chlorosulfanyl thiohypochlorite</IUPAC_name></identification><comment>Chase,1998 p858.</comment><reference>j 6/78</reference><elements><element S="2" /><element Cl="2" /></elements><condensed>True</condensed><molecular_weight>0.135036</molecular_weight><hf298.15>-58158.000</hf298.15><T_range Thigh="6000.0" Tlow="298.15"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.494856582e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.145167466e+04</b1><b2>-5.824880790e+01</b2></T_range></specie><specie inp_file_name="Sc(a)"><identification><InChIKey>SIXSYDAISGFNSX-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Sc]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>scandium</IUPAC_name></identification><comment>Alpha. Ref-Elm. Gurvich,1982 pt1 p137 pt2 p138.</comment><reference>tpis82</reference><elements><element Sc="1" /></elements><condensed>True</condensed><molecular_weight>0.04495591</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="400.0" Tlow="100.0"><a1>-5.723537690e+03</a1><a2>0.000000000e+00</a2><a3>1.835072325e+00</a3><a4>9.478861990e-03</a4><a5>-2.317188582e-05</a5><a6>2.004221829e-08</a6><a7>0.000000000e+00</a7><b1>-8.225089040e+02</b1><b2>-8.279121410e+00</b2></T_range><T_range Thigh="1609.0" Tlow="400.0"><a1>-2.296409436e+04</a1><a2>0.000000000e+00</a2><a3>3.590296910e+00</a3><a4>-1.480249906e-03</a4><a5>2.132230702e-06</a5><a6>-4.653598600e-10</a6><a7>0.000000000e+00</a7><b1>-1.099543829e+03</b1><b2>-1.605255360e+01</b2></T_range></specie><specie inp_file_name="Sc(b)"><identification><InChIKey>SIXSYDAISGFNSX-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Sc]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>scandium</IUPAC_name></identification><comment>Beta. Ref-Elm. Gurvich,1982 pt1 p137 pt2 p138.</comment><reference>tpis82</reference><elements><element Sc="1" /></elements><condensed>True</condensed><molecular_weight>0.04495591</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="1814.0" Tlow="1609.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>5.316007798e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-3.113439951e+03</b1><b2>-2.875686543e+01</b2></T_range></specie><specie inp_file_name="Sc(L)"><identification><InChIKey>SIXSYDAISGFNSX-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Sc]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>scandium</IUPAC_name></identification><comment>Liquid. Ref-Elm. Gurvich,1982 pt1 p137 pt2 p138.</comment><reference>tpis82</reference><elements><element Sc="1" /></elements><condensed>True</condensed><molecular_weight>0.04495591</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="6000.0" Tlow="1814.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>5.291953464e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.373974847e+03</b1><b2>-2.764152183e+01</b2></T_range></specie><specie inp_file_name="Sc2O3(cr)"><identification><InChIKey>HJGMWXTVGKLUAQ-UHFFFAOYSA-N</InChIKey><canonical_smiles>[O-2].[O-2].[O-2].[Sc+3].[Sc+3]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>oxygen(2-);scandium(3+)</IUPAC_name></identification><comment>Cubic. Gurvich,1982 pt1 p145 pt2 p150.</comment><reference>tpis82</reference><elements><element Sc="2" /><element O="3" /></elements><condensed>True</condensed><molecular_weight>0.13791002</molecular_weight><hf298.15>-1908600.000</hf298.15><T_range Thigh="500.0" Tlow="200.0"><a1>-2.372563268e+06</a1><a2>4.573798990e+04</a2><a3>-3.655376590e+02</a3><a4>1.588230977e+00</a4><a5>-3.584389210e-03</a5><a6>4.185870320e-06</a6><a7>-1.985472581e-09</a7><b1>-4.353786390e+05</b1><b2>1.884709407e+03</b2></T_range><T_range Thigh="2762.0" Tlow="500.0"><a1>-2.669869135e+05</a1><a2>0.000000000e+00</a2><a3>1.386002327e+01</a3><a4>1.535415402e-03</a4><a5>1.928963573e-07</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-2.346482672e+05</b1><b2>-7.170005710e+01</b2></T_range></specie><specie inp_file_name="Sc2O3(L)"><identification><InChIKey>HJGMWXTVGKLUAQ-UHFFFAOYSA-N</InChIKey><canonical_smiles>[O-2].[O-2].[O-2].[Sc+3].[Sc+3]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>oxygen(2-);scandium(3+)</IUPAC_name></identification><comment>Liquid. Gurvich,1982 pt1 p145 pt2 p150.</comment><reference>tpis82</reference><elements><element Sc="2" /><element O="3" /></elements><condensed>True</condensed><molecular_weight>0.13791002</molecular_weight><hf298.15>-1908600.000</hf298.15><T_range Thigh="6000.0" Tlow="2762.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.405433393e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-2.402224225e+05</b1><b2>-1.419525042e+02</b2></T_range></specie><specie inp_file_name="Si(cr)"><identification><InChIKey>XUIMIQQOPSSXEZ-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Si]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>silicon</IUPAC_name></identification><comment>Cubic. Ref-Elm. Gurvich,1991 pt1 p236 pt2 p220.</comment><reference>tpis91</reference><elements><element Si="1" /></elements><condensed>True</condensed><molecular_weight>0.0280855</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="298.15" Tlow="200.0"><a1>-2.323538208e+04</a1><a2>0.000000000e+00</a2><a3>2.102021680e+00</a3><a4>1.809220552e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-7.850635210e+02</b1><b2>-1.038427318e+01</b2></T_range><T_range Thigh="1690.0" Tlow="298.15"><a1>-5.232559740e+04</a1><a2>0.000000000e+00</a2><a3>2.850169415e+00</a3><a4>3.975166970e-04</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.042947234e+03</b1><b2>-1.438964187e+01</b2></T_range></specie><specie inp_file_name="Si(L)"><identification><InChIKey>XUIMIQQOPSSXEZ-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Si]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>silicon</IUPAC_name></identification><comment>Liquid. Ref-Elm. Gurvich,1991 pt1 p236 pt2 p220.</comment><reference>tpis91</reference><elements><element Si="1" /></elements><condensed>True</condensed><molecular_weight>0.0280855</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="6000.0" Tlow="1690.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>3.271389414e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>4.882667110e+03</b1><b2>-1.326611073e+01</b2></T_range></specie><specie inp_file_name="SiC(b)"><identification><InChIKey>HBMJWWWQQXIZIP-UHFFFAOYSA-N</InChIKey><canonical_smiles>[C-]#[Si+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>methanidylidynesilanylium</IUPAC_name></identification><comment>Beta,cubic. Gurvich,1991 pt1 p298 pt2 p264.</comment><reference>tpis91</reference><elements><element Si="1" /><element C="1" /></elements><condensed>True</condensed><molecular_weight>0.040096200000000005</molecular_weight><hf298.15>-73000.000</hf298.15><T_range Thigh="298.15" Tlow="100.0"><a1>-2.285496383e+03</a1><a2>0.000000000e+00</a2><a3>-5.349100620e-01</a3><a4>1.271547084e-02</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-9.193174900e+03</b1><b2>1.241441354e+00</b2></T_range><T_range Thigh="3105.0" Tlow="298.15"><a1>-1.269106658e+05</a1><a2>0.000000000e+00</a2><a3>3.757286960e+00</a3><a4>3.481744565e-03</a4><a5>-1.620660748e-06</a5><a6>2.611097948e-10</a6><a7>0.000000000e+00</a7><b1>-1.046667760e+04</b1><b2>-2.109198538e+01</b2></T_range></specie><specie inp_file_name="SiC(L)"><identification><InChIKey>HBMJWWWQQXIZIP-UHFFFAOYSA-N</InChIKey><canonical_smiles>[C-]#[Si+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>methanidylidynesilanylium</IUPAC_name></identification><comment>Liquid. Gurvich,1991 pt1 p298 pt2 p264.</comment><reference>tpis91</reference><elements><element Si="1" /><element C="1" /></elements><condensed>True</condensed><molecular_weight>0.040096200000000005</molecular_weight><hf298.15>-73000.000</hf298.15><T_range Thigh="6000.0" Tlow="3103.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>7.577115188e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-7.787459000e+03</b1><b2>-4.367596159e+01</b2></T_range></specie><specie inp_file_name="SiO2(a-qz)"><identification><InChIKey>VYPSYNLAJGMNEJ-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[Si]=O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dioxosilane</IUPAC_name></identification><comment>Alpha-quartz,hexagonal. Gurvich,1991 pt1 p250 pt2 p228.</comment><reference>tpis91</reference><elements><element Si="1" /><element O="2" /></elements><condensed>True</condensed><molecular_weight>0.0600843</molecular_weight><hf298.15>-910700.000</hf298.15><T_range Thigh="848.0" Tlow="200.0"><a1>-5.776895500e+05</a1><a2>7.214661110e+03</a2><a3>-3.145730294e+01</a3><a4>7.412177150e-02</a4><a5>-8.670077820e-06</a5><a6>-1.080461312e-07</a6><a7>8.316324910e-11</a7><b1>-1.462398375e+05</b1><b2>1.842424399e+02</b2></T_range></specie><specie inp_file_name="SiO2(b-qz)"><identification><InChIKey>VYPSYNLAJGMNEJ-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[Si]=O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dioxosilane</IUPAC_name></identification><comment>Beta-quartz,hexagonal. Gurvich,1991 pt1 p250 pt2 p228.</comment><reference>tpis91</reference><elements><element Si="1" /><element O="2" /></elements><condensed>True</condensed><molecular_weight>0.0600843</molecular_weight><hf298.15>-910700.000</hf298.15><T_range Thigh="1200.0" Tlow="848.0"><a1>2.317635074e+04</a1><a2>0.000000000e+00</a2><a3>7.026511484e+00</a3><a4>1.241925261e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.117012474e+05</b1><b2>-3.580751356e+01</b2></T_range></specie><specie inp_file_name="SiO2(b-crt)"><identification><InChIKey>VYPSYNLAJGMNEJ-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[Si]=O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dioxosilane</IUPAC_name></identification><comment>Beta-cristobalite,cubic. Gurvich,1991 pt1 p250 pt2 p228.</comment><reference>tpis91</reference><elements><element Si="1" /><element O="2" /></elements><condensed>True</condensed><molecular_weight>0.0600843</molecular_weight><hf298.15>-910700.000</hf298.15><T_range Thigh="1996.0" Tlow="1200.0"><a1>-5.356419079e+05</a1><a2>0.000000000e+00</a2><a3>9.331036946e+00</a3><a4>-7.306503931e-04</a4><a5>3.339944266e-07</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.134326721e+05</b1><b2>-4.998768383e+01</b2></T_range></specie><specie inp_file_name="SiO2(L)"><identification><InChIKey>VYPSYNLAJGMNEJ-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[Si]=O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dioxosilane</IUPAC_name></identification><comment>Liquid. Gurvich,1991 pt1 p250 pt2 p228.</comment><reference>tpis91</reference><elements><element Si="1" /><element O="2" /></elements><condensed>True</condensed><molecular_weight>0.0600843</molecular_weight><hf298.15>-910700.000</hf298.15><T_range Thigh="6000.0" Tlow="1996.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.004268442e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.140002976e+05</b1><b2>-5.554279592e+01</b2></T_range></specie><specie inp_file_name="SiS(cr)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Crystal. Gurvich,1991 pt1 p289 pt2 p257.</comment><reference>tpis91</reference><elements><element Si="1" /><element S="1" /></elements><condensed>True</condensed><molecular_weight>0.0601505</molecular_weight><hf298.15>-168737.210</hf298.15><T_range Thigh="1363.0" Tlow="298.15"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>4.873408054e+00</a3><a4>1.807202108e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-2.182763678e+04</b1><b2>-2.072841584e+01</b2></T_range></specie><specie inp_file_name="SiS(L)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Liquid. Gurvich,1991 pt1 p289 pt2 p257.</comment><reference>tpis91</reference><elements><element Si="1" /><element S="1" /></elements><condensed>True</condensed><molecular_weight>0.0601505</molecular_weight><hf298.15>-168737.210</hf298.15><T_range Thigh="6000.0" Tlow="1363.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>8.058201866e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-2.076140696e+04</b1><b2>-3.851581605e+01</b2></T_range></specie><specie inp_file_name="SiS2(cr)"><identification><InChIKey>KHDSWONFYIAAPE-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Si](=S)=S</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>bis(sulfanylidene)silane</IUPAC_name></identification><comment>Tetragonal. Gurvich,1991 pt1 p293 pt2 p259.</comment><reference>tpis91</reference><elements><element Si="1" /><element S="2" /></elements><condensed>True</condensed><molecular_weight>0.0922155</molecular_weight><hf298.15>-287000.000</hf298.15><T_range Thigh="298.15" Tlow="100.0"><a1>-1.489679569e+04</a1><a2>0.000000000e+00</a2><a3>3.921710460e+00</a3><a4>1.226970632e-02</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-3.628253940e+04</b1><b2>-1.684224727e+01</b2></T_range><T_range Thigh="1363.0" Tlow="298.15"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>6.423349061e+00</a3><a4>3.317212921e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-3.658052990e+04</b1><b2>-2.834259902e+01</b2></T_range></specie><specie inp_file_name="SiS2(L)"><identification><InChIKey>KHDSWONFYIAAPE-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Si](=S)=S</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>bis(sulfanylidene)silane</IUPAC_name></identification><comment>Liquid. Gurvich,1991 pt1 p293 pt2 p259.</comment><reference>tpis91</reference><elements><element Si="1" /><element S="2" /></elements><condensed>True</condensed><molecular_weight>0.0922155</molecular_weight><hf298.15>-287000.000</hf298.15><T_range Thigh="6000.0" Tlow="1363.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.202716696e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-3.909260770e+04</b1><b2>-6.276638967e+01</b2></T_range></specie><specie inp_file_name="Si2N2O(cr)"><identification><InChIKey>WGRPUJVSPCGEKW-UHFFFAOYSA-N</InChIKey><canonical_smiles>N#[Si]O[Si]#N</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>azanylidyne(azanylidynesilyloxy)silane</IUPAC_name></identification><comment>Fegley,1981.</comment><reference>g 7/95</reference><elements><element Si="2" /><element N="2" /><element O="1" /></elements><condensed>True</condensed><molecular_weight>0.1001838</molecular_weight><hf298.15>-947700.000</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>-7.783293180e+06</a1><a2>7.787697680e+04</a2><a3>-3.226727260e+02</a3><a4>7.513788890e-01</a4><a5>-9.139450720e-04</a5><a6>5.774402010e-07</a6><a7>-1.479973902e-10</a7><b1>-5.139865410e+05</b1><b2>1.873124449e+03</b2></T_range><T_range Thigh="2500.0" Tlow="1000.0"><a1>-7.414096340e+06</a1><a2>2.559424417e+04</a2><a3>-2.535540920e+01</a3><a4>3.208894230e-02</a4><a5>-1.340182230e-05</a5><a6>3.075006784e-09</a6><a7>-2.892800339e-13</a7><b1>-2.762647725e+05</b1><b2>1.907774092e+02</b2></T_range></specie><specie inp_file_name="Si3N4(cr)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Hexagonal. Gurvich,1991 pt1 p297 pt2 p262.</comment><reference>tpis91</reference><elements><element Si="3" /><element N="4" /></elements><condensed>True</condensed><molecular_weight>0.1402833</molecular_weight><hf298.15>-787800.000</hf298.15><T_range Thigh="298.15" Tlow="100.0"><a1>-1.136434515e+04</a1><a2>0.000000000e+00</a2><a3>-4.993435710e-01</a3><a4>3.962318940e-02</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-9.640037870e+04</b1><b2>-1.086768954e+00</b2></T_range><T_range Thigh="4000.0" Tlow="298.15"><a1>-2.910454134e+05</a1><a2>0.000000000e+00</a2><a3>1.189210188e+01</a3><a4>9.349799327e-03</a4><a5>-2.551082385e-06</a5><a6>2.857654871e-10</a6><a7>0.000000000e+00</a7><b1>-9.966541740e+04</b1><b2>-6.412447976e+01</b2></T_range></specie><specie inp_file_name="Sn(cr)"><identification><InChIKey>ATJFFYVFTNAWJD-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Sn]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>tin</IUPAC_name></identification><comment>CrI,tetragonal. Ref-Elm. Gurvich,1991 pt1 p350 pt2 p300.</comment><reference>tpis91</reference><elements><element Sn="1" /></elements><condensed>True</condensed><molecular_weight>0.11871</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="505.118" Tlow="200.0"><a1>-9.970568110e+05</a1><a2>1.865056292e+04</a2><a3>-1.393005103e+02</a3><a4>5.652800870e-01</a4><a5>-1.229162587e-03</a5><a6>1.398259924e-06</a6><a7>-6.465843270e-10</a7><b1>-8.479846440e+04</b1><b2>7.317981190e+02</b2></T_range></specie><specie inp_file_name="Sn(L)"><identification><InChIKey>ATJFFYVFTNAWJD-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Sn]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>tin</IUPAC_name></identification><comment>Liquid. Ref-Elm. Gurvich,1991 pt1 p350 pt2 p300.</comment><reference>tpis91</reference><elements><element Sn="1" /></elements><condensed>True</condensed><molecular_weight>0.11871</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="4700.0" Tlow="505.118"><a1>9.847844311e+04</a1><a2>0.000000000e+00</a2><a3>3.028921728e+00</a3><a4>2.531718646e-04</a4><a5>-1.960428215e-08</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>2.209652103e+02</b1><b2>-9.089783541e+00</b2></T_range></specie><specie inp_file_name="SnBr2(cr)"><identification><InChIKey>ZSUXOVNWDZTCFN-UHFFFAOYSA-L</InChIKey><canonical_smiles>Br[Sn]Br</canonical_smiles><cas_number>10031-24-0</cas_number><IUPAC_name>dibromotin</IUPAC_name></identification><comment>Rhombic. Gurvich,1991 pt1 p379 pt2 p322.</comment><reference>tpis91</reference><elements><element Sn="1" /><element Br="2" /></elements><condensed>True</condensed><molecular_weight>0.278518</molecular_weight><hf298.15>-253600.000</hf298.15><T_range Thigh="298.15" Tlow="100.0"><a1>-1.072142073e+04</a1><a2>0.000000000e+00</a2><a3>8.650388720e+00</a3><a4>3.246938990e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-3.326028440e+04</b1><b2>-3.191324070e+01</b2></T_range><T_range Thigh="503.4" Tlow="298.15"><a1>1.596365871e+05</a1><a2>0.000000000e+00</a2><a3>4.310656912e+00</a3><a4>1.137469316e-02</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-3.175626170e+04</b1><b2>-8.652273965e+00</b2></T_range></specie><specie inp_file_name="SnBr2(L)"><identification><InChIKey>ZSUXOVNWDZTCFN-UHFFFAOYSA-L</InChIKey><canonical_smiles>Br[Sn]Br</canonical_smiles><cas_number>10031-24-0</cas_number><IUPAC_name>dibromotin</IUPAC_name></identification><comment>Liquid. Gurvich,1991 pt1 p379 pt2 p322.</comment><reference>tpis91</reference><elements><element Sn="1" /><element Br="2" /></elements><condensed>True</condensed><molecular_weight>0.278518</molecular_weight><hf298.15>-253600.000</hf298.15><T_range Thigh="860.0" Tlow="503.4"><a1>2.804494793e+05</a1><a2>0.000000000e+00</a2><a3>1.427732963e+01</a3><a4>-2.218170403e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-3.305162210e+04</b1><b2>-6.008238208e+01</b2></T_range><T_range Thigh="6000.0" Tlow="860.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.274879698e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-3.288346740e+04</b1><b2>-5.185141223e+01</b2></T_range></specie><specie inp_file_name="SnBr4(cr)"><identification><InChIKey>LTSUHJWLSNQKIP-UHFFFAOYSA-J</InChIKey><canonical_smiles>Br[Sn](Br)(Br)Br</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>tetrabromostannane</IUPAC_name></identification><comment>Monoclinic. Gurvich,1991 pt1 p382 pt2 p325.</comment><reference>tpis91</reference><elements><element Sn="1" /><element Br="4" /></elements><condensed>True</condensed><molecular_weight>0.43832600000000005</molecular_weight><hf298.15>-388000.000</hf298.15><T_range Thigh="302.25" Tlow="200.0"><a1>-3.870038960e+06</a1><a2>0.000000000e+00</a2><a3>3.663330300e+02</a3><a4>-1.775658617e+00</a4><a5>2.504656832e-03</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.120730416e+05</b1><b2>-1.659626236e+03</b2></T_range></specie><specie inp_file_name="SnBr4(L)"><identification><InChIKey>LTSUHJWLSNQKIP-UHFFFAOYSA-J</InChIKey><canonical_smiles>Br[Sn](Br)(Br)Br</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>tetrabromostannane</IUPAC_name></identification><comment>Liquid. Gurvich,1991 pt1 p382 pt2 p325.</comment><reference>tpis91</reference><elements><element Sn="1" /><element Br="4" /></elements><condensed>True</condensed><molecular_weight>0.43832600000000005</molecular_weight><hf298.15>-388000.000</hf298.15><T_range Thigh="470.0" Tlow="302.25"><a1>1.124780655e+05</a1><a2>0.000000000e+00</a2><a3>1.859869072e+01</a3><a4>-4.792826035e-04</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-5.036569340e+04</b1><b2>-6.913668591e+01</b2></T_range><T_range Thigh="6000.0" Tlow="470.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.888265213e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-5.079140710e+04</b1><b2>-7.136367786e+01</b2></T_range></specie><specie inp_file_name="SnCl2(cr)"><identification><InChIKey>AXZWODMDQAVCJE-UHFFFAOYSA-L</InChIKey><canonical_smiles>Cl[Sn]Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dichlorotin</IUPAC_name></identification><comment>Rhombic. Gurvich,1991 pt1 p372 pt2 p316.</comment><reference>tpis91</reference><elements><element Sn="1" /><element Cl="2" /></elements><condensed>True</condensed><molecular_weight>0.189616</molecular_weight><hf298.15>-333000.000</hf298.15><T_range Thigh="520.2" Tlow="200.0"><a1>-3.455659100e+05</a1><a2>5.121048940e+03</a2><a3>-2.179939832e+01</a3><a4>8.738265750e-02</a4><a5>-1.087380837e-04</a5><a6>5.701191040e-08</a6><a7>0.000000000e+00</a7><b1>-6.692353080e+04</b1><b2>1.338412221e+02</b2></T_range></specie><specie inp_file_name="SnCl2(L)"><identification><InChIKey>AXZWODMDQAVCJE-UHFFFAOYSA-L</InChIKey><canonical_smiles>Cl[Sn]Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dichlorotin</IUPAC_name></identification><comment>Liquid. Gurvich,1991 pt1 p372 pt2 p316.</comment><reference>tpis91</reference><elements><element Sn="1" /><element Cl="2" /></elements><condensed>True</condensed><molecular_weight>0.189616</molecular_weight><hf298.15>-333000.000</hf298.15><T_range Thigh="6000.0" Tlow="520.2"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.322988366e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-4.294240400e+04</b1><b2>-5.766924967e+01</b2></T_range></specie><specie inp_file_name="SnCl4(L)"><identification><InChIKey>HPGGPRDJHPYFRM-UHFFFAOYSA-J</InChIKey><canonical_smiles>Cl[Sn](Cl)(Cl)Cl</canonical_smiles><cas_number>7646-78-8</cas_number><IUPAC_name>tetrachlorostannane</IUPAC_name></identification><comment>Liquid. Gurvich,1991 pt1 p375 pt2 p319.</comment><reference>tpis91</reference><elements><element Sn="1" /><element Cl="4" /></elements><condensed>True</condensed><molecular_weight>0.260522</molecular_weight><hf298.15>-517000.000</hf298.15><T_range Thigh="350.0" Tlow="239.05"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.059050984e+01</a3><a4>-5.567014773e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-6.807207820e+04</b1><b2>-8.378462335e+01</b2></T_range><T_range Thigh="6000.0" Tlow="350.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.864210880e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-6.773111750e+04</b1><b2>-7.431947542e+01</b2></T_range></specie><specie inp_file_name="SnF2(cr)"><identification><InChIKey>ANOBYBYXJXCGBS-UHFFFAOYSA-L</InChIKey><canonical_smiles>F[Sn]F</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>difluorotin</IUPAC_name></identification><comment>Monoclinic. Gurvich,1991 pt1 p367 pt2 p311.</comment><reference>tpis91</reference><elements><element Sn="1" /><element F="2" /></elements><condensed>True</condensed><molecular_weight>0.1567068064</molecular_weight><hf298.15>-677000.000</hf298.15><T_range Thigh="488.2" Tlow="298.15"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>6.575252180e+00</a3><a4>7.150150760e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-8.370213250e+04</b1><b2>-2.802481800e+01</b2></T_range></specie><specie inp_file_name="SnF2(L)"><identification><InChIKey>ANOBYBYXJXCGBS-UHFFFAOYSA-L</InChIKey><canonical_smiles>F[Sn]F</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>difluorotin</IUPAC_name></identification><comment>Liquid. Gurvich,1991 pt1 p367 pt2 p311.</comment><reference>tpis91</reference><elements><element Sn="1" /><element F="2" /></elements><condensed>True</condensed><molecular_weight>0.1567068064</molecular_weight><hf298.15>-677000.000</hf298.15><T_range Thigh="6000.0" Tlow="488.2"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.202716700e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-8.424882400e+04</b1><b2>-5.569866810e+01</b2></T_range></specie><specie inp_file_name="SnI2(cr)"><identification><InChIKey>JTDNNCYXCFHBGG-UHFFFAOYSA-L</InChIKey><canonical_smiles>[Sn](I)I</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>diiodotin</IUPAC_name></identification><comment>Monoclinic. Gurvich,1991 pt1 p386 pt2 p328.</comment><reference>tpis91</reference><elements><element Sn="1" /><element I="2" /></elements><condensed>True</condensed><molecular_weight>0.37251893999999997</molecular_weight><hf298.15>-153000.000</hf298.15><T_range Thigh="595.7" Tlow="200.0"><a1>8.194427570e+05</a1><a2>-1.285027272e+04</a2><a3>8.314392190e+01</a3><a4>-1.959449848e-01</a4><a5>2.384765022e-04</a5><a6>-9.891789320e-08</a6><a7>0.000000000e+00</a7><b1>3.957086730e+04</b1><b2>-4.432502620e+02</b2></T_range></specie><specie inp_file_name="SnI2(L)"><identification><InChIKey>JTDNNCYXCFHBGG-UHFFFAOYSA-L</InChIKey><canonical_smiles>[Sn](I)I</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>diiodotin</IUPAC_name></identification><comment>Liquid. Gurvich,1991 pt1 p386 pt2 p328.</comment><reference>tpis91</reference><elements><element Sn="1" /><element I="2" /></elements><condensed>True</condensed><molecular_weight>0.37251893999999997</molecular_weight><hf298.15>-153000.000</hf298.15><T_range Thigh="960.0" Tlow="595.7"><a1>3.807680789e+05</a1><a2>0.000000000e+00</a2><a3>1.313799611e+01</a3><a4>-7.105650243e-04</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-2.013964325e+04</b1><b2>-5.193401798e+01</b2></T_range><T_range Thigh="6000.0" Tlow="960.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.286906865e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-2.060553468e+04</b1><b2>-5.097603343e+01</b2></T_range></specie><specie inp_file_name="SnI4(cr)"><identification><InChIKey>QPBYLOWPSRZOFX-UHFFFAOYSA-J</InChIKey><canonical_smiles>[Sn](I)(I)(I)I</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>tetraiodostannane</IUPAC_name></identification><comment>Cubic. Gurvich,1991 pt1 p389 pt2 p331</comment><reference>tpis91</reference><elements><element Sn="1" /><element I="4" /></elements><condensed>True</condensed><molecular_weight>0.6263278800000001</molecular_weight><hf298.15>-207500.000</hf298.15><T_range Thigh="418.0" Tlow="200.0"><a1>1.365815960e+06</a1><a2>-2.186441599e+04</a2><a3>1.411768692e+02</a3><a4>-3.151970333e-01</a4><a5>2.991203201e-04</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>7.347422460e+04</b1><b2>-7.553382720e+02</b2></T_range></specie><specie inp_file_name="SnI4(L)"><identification><InChIKey>QPBYLOWPSRZOFX-UHFFFAOYSA-J</InChIKey><canonical_smiles>[Sn](I)(I)(I)I</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>tetraiodostannane</IUPAC_name></identification><comment>Liquid. Gurvich,1991 pt1 p389 pt2 p331</comment><reference>tpis91</reference><elements><element Sn="1" /><element I="4" /></elements><condensed>True</condensed><molecular_weight>0.6263278800000001</molecular_weight><hf298.15>-207500.000</hf298.15><T_range Thigh="580.0" Tlow="418.0"><a1>3.125499879e+05</a1><a2>0.000000000e+00</a2><a3>2.114568387e+01</a3><a4>-5.918328320e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-2.828678876e+04</b1><b2>-7.927900653e+01</b2></T_range><T_range Thigh="6000.0" Tlow="580.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.864210880e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-2.836905732e+04</b1><b2>-6.724586950e+01</b2></T_range></specie><specie inp_file_name="SnO(cr)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Tetragonal. Gurvich,1991 pt1 p356 pt2 p306.</comment><reference>tpis91</reference><elements><element Sn="1" /><element O="1" /></elements><condensed>True</condensed><molecular_weight>0.13470939999999998</molecular_weight><hf298.15>-280710.000</hf298.15><T_range Thigh="298.15" Tlow="100.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>7.279467580e-02</a3><a4>3.307685420e-02</a4><a5>-4.710942000e-05</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-3.483713220e+04</b1><b2>-1.306828645e+00</b2></T_range><T_range Thigh="1250.0" Tlow="298.15"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>5.260682830e+00</a3><a4>1.630883840e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-3.540242040e+04</b1><b2>-2.358356588e+01</b2></T_range></specie><specie inp_file_name="SnO(L)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Liquid. Gurvich,1991 pt1 p356 pt2 p306.</comment><reference>tpis91</reference><elements><element Sn="1" /><element O="1" /></elements><condensed>True</condensed><molecular_weight>0.13470939999999998</molecular_weight><hf298.15>-280710.000</hf298.15><T_range Thigh="6000.0" Tlow="1250.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>7.577115188e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-3.369230760e+04</b1><b2>-3.539798567e+01</b2></T_range></specie><specie inp_file_name="SnO2(cr)"><identification><InChIKey>XOLBLPGZBRYERU-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[Sn]=O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dioxotin</IUPAC_name></identification><comment>Tetragonal. Gurvich,1991 pt1 p361 pt2 p308.</comment><reference>tpis91</reference><elements><element Sn="1" /><element O="2" /></elements><condensed>True</condensed><molecular_weight>0.1507088</molecular_weight><hf298.15>-577630.000</hf298.15><T_range Thigh="298.15" Tlow="100.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>-1.177647966e+00</a3><a4>3.970167880e-02</a4><a5>-4.790758920e-05</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-7.046277710e+04</b1><b2>2.896556966e+00</b2></T_range><T_range Thigh="1903.0" Tlow="298.15"><a1>-2.674601390e+05</a1><a2>0.000000000e+00</a2><a3>9.145457760e+00</a3><a4>8.856805753e-04</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-7.313567410e+04</b1><b2>-4.798106778e+01</b2></T_range></specie><specie inp_file_name="SnO2(L)"><identification><InChIKey>XOLBLPGZBRYERU-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[Sn]=O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dioxotin</IUPAC_name></identification><comment>Liquid. Gurvich,1991 pt1 p361 pt2 p308.</comment><reference>tpis91</reference><elements><element Sn="1" /><element O="2" /></elements><condensed>True</condensed><molecular_weight>0.1507088</molecular_weight><hf298.15>-577630.000</hf298.15><T_range Thigh="6000.0" Tlow="1903.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.106499361e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-7.222994130e+04</b1><b2>-5.927455845e+01</b2></T_range></specie><specie inp_file_name="SnS(cr)"><identification><InChIKey>AFNRRBXCCXDRPS-UHFFFAOYSA-N</InChIKey><canonical_smiles>S=[Sn]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>sulfanylidenetin</IUPAC_name></identification><comment>Rhombic. Gurvich,1991 pt1 p392 pt2 p333.</comment><reference>tpis91</reference><elements><element Sn="1" /><element S="1" /></elements><condensed>True</condensed><molecular_weight>0.150775</molecular_weight><hf298.15>-109662.000</hf298.15><T_range Thigh="298.15" Tlow="100.0"><a1>-1.473490121e+04</a1><a2>0.000000000e+00</a2><a3>5.317316410e+00</a3><a4>2.586688381e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.493898062e+04</b1><b2>-2.188910671e+01</b2></T_range><T_range Thigh="875.0" Tlow="298.15"><a1>3.056103126e+04</a1><a2>0.000000000e+00</a2><a3>4.511751143e+00</a3><a4>3.579405160e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.459100103e+04</b1><b2>-1.734052255e+01</b2></T_range></specie><specie inp_file_name="SnS(cr)"><identification><InChIKey>AFNRRBXCCXDRPS-UHFFFAOYSA-N</InChIKey><canonical_smiles>S=[Sn]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>sulfanylidenetin</IUPAC_name></identification><comment>Cubic. Gurvich,1991 pt1 p392 pt2 p333.</comment><reference>tpis91</reference><elements><element Sn="1" /><element S="1" /></elements><condensed>True</condensed><molecular_weight>0.150775</molecular_weight><hf298.15>-109662.000</hf298.15><T_range Thigh="1154.0" Tlow="875.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>4.921516722e+00</a3><a4>1.882251630e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.425419920e+04</b1><b2>-1.855922147e+01</b2></T_range></specie><specie inp_file_name="SnS(L)"><identification><InChIKey>AFNRRBXCCXDRPS-UHFFFAOYSA-N</InChIKey><canonical_smiles>S=[Sn]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>sulfanylidenetin</IUPAC_name></identification><comment>Liquid. Gurvich,1991 pt1 p392 pt2 p333.</comment><reference>tpis91</reference><elements><element Sn="1" /><element S="1" /></elements><condensed>True</condensed><molecular_weight>0.150775</molecular_weight><hf298.15>-109662.000</hf298.15><T_range Thigh="6000.0" Tlow="1154.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>9.008348057e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.391650549e+04</b1><b2>-4.190990669e+01</b2></T_range></specie><specie inp_file_name="SnS2(cr)"><identification><InChIKey>TUTLDIXHQPSHHQ-UHFFFAOYSA-N</InChIKey><canonical_smiles>[S-2].[S-2].[Sn+4]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>tin(4+);disulfide</IUPAC_name></identification><comment>Hexagonal. Gurvich,1991 pt1 p396 pt2 p335.</comment><reference>tpis91</reference><elements><element Sn="1" /><element S="2" /></elements><condensed>True</condensed><molecular_weight>0.18284</molecular_weight><hf298.15>-141837.000</hf298.15><T_range Thigh="298.15" Tlow="100.0"><a1>-2.817980768e+04</a1><a2>0.000000000e+00</a2><a3>6.586339710e+00</a3><a4>7.259692260e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.943987500e+04</b1><b2>-2.933754416e+01</b2></T_range><T_range Thigh="1143.0" Tlow="298.15"><a1>1.193094963e+04</a1><a2>0.000000000e+00</a2><a3>7.560277154e+00</a3><a4>2.479641013e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.938326475e+04</b1><b2>-3.323586315e+01</b2></T_range></specie><specie inp_file_name="Sr(a)"><identification><InChIKey>CIOAGBVUUVVLOB-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Sr]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>strontium</IUPAC_name></identification><comment>Alpha. Ref-Elm. Alcock,1993.</comment><reference>srd 93</reference><elements><element Sr="1" /></elements><condensed>True</condensed><molecular_weight>0.08762</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="298.15" Tlow="100.0"><a1>-4.150245670e+03</a1><a2>1.559823384e+02</a2><a3>-2.623173257e-01</a3><a4>2.945369354e-02</a4><a5>-1.212940361e-04</a5><a6>2.401045642e-07</a6><a7>-1.708772572e-10</a7><b1>-1.455791066e+03</b1><b2>3.435106060e+00</b2></T_range><T_range Thigh="820.0" Tlow="298.15"><a1>1.294412876e+05</a1><a2>-1.646179180e+03</a2><a3>1.111114164e+01</a3><a4>-1.973737192e-02</a4><a5>2.910871519e-05</a5><a6>-2.163423606e-08</a6><a7>6.508160860e-12</a7><b1>7.160398040e+03</b1><b2>-5.671602200e+01</b2></T_range></specie><specie inp_file_name="Sr(b)"><identification><InChIKey>CIOAGBVUUVVLOB-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Sr]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>strontium</IUPAC_name></identification><comment>Beta. Ref-Elm. Alcock,1993.</comment><reference>srd 93</reference><elements><element Sr="1" /></elements><condensed>True</condensed><molecular_weight>0.08762</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="1041.0" Tlow="820.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>3.190326309e+00</a3><a4>4.837326553e-04</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-8.560991280e+02</b1><b2>-1.157238431e+01</b2></T_range></specie><specie inp_file_name="Sr(L)"><identification><InChIKey>CIOAGBVUUVVLOB-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Sr]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>strontium</IUPAC_name></identification><comment>Liquid. Ref-Elm. Alcock,1993.</comment><reference>srd 93</reference><elements><element Sr="1" /></elements><condensed>True</condensed><molecular_weight>0.08762</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="6000.0" Tlow="1041.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>4.450051777e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-9.431940390e+02</b1><b2>-1.889703393e+01</b2></T_range></specie><specie inp_file_name="SrBr2(a)"><identification><InChIKey>YJPVTCSBVRMESK-UHFFFAOYSA-L</InChIKey><canonical_smiles>[Br-].[Br-].[Sr+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>strontium;dibromide</IUPAC_name></identification><comment>Alpha,tetragonal. Gurvich,1996a pt1 p523 pt2 p403.</comment><reference>tpis96</reference><elements><element Sr="1" /><element Br="2" /></elements><condensed>True</condensed><molecular_weight>0.247428</molecular_weight><hf298.15>-722000.000</hf298.15><T_range Thigh="918.0" Tlow="200.0"><a1>-1.563862878e+05</a1><a2>2.048387286e+03</a2><a3>-2.389924996e+00</a3><a4>3.200996340e-02</a4><a5>-4.324517230e-05</a5><a6>3.247344210e-08</a6><a7>-9.786717550e-12</a7><b1>-9.941922340e+04</b1><b2>2.897007516e+01</b2></T_range></specie><specie inp_file_name="SrBr2(b)"><identification><InChIKey>YJPVTCSBVRMESK-UHFFFAOYSA-L</InChIKey><canonical_smiles>[Br-].[Br-].[Sr+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>strontium;dibromide</IUPAC_name></identification><comment>Beta. Gurvich,1996a pt1 p523 pt2 p403.</comment><reference>tpis96</reference><elements><element Sr="1" /><element Br="2" /></elements><condensed>True</condensed><molecular_weight>0.247428</molecular_weight><hf298.15>-722000.000</hf298.15><T_range Thigh="930.0" Tlow="918.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.202716696e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-9.021650510e+04</b1><b2>-5.212663905e+01</b2></T_range></specie><specie inp_file_name="SrBr2(L)"><identification><InChIKey>YJPVTCSBVRMESK-UHFFFAOYSA-L</InChIKey><canonical_smiles>[Br-].[Br-].[Sr+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>strontium;dibromide</IUPAC_name></identification><comment>Liquid. Gurvich,1996a pt1 p523 pt2 p403.</comment><reference>tpis96</reference><elements><element Sr="1" /><element Br="2" /></elements><condensed>True</condensed><molecular_weight>0.247428</molecular_weight><hf298.15>-722000.000</hf298.15><T_range Thigh="6000.0" Tlow="930.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.202716696e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-8.900176120e+04</b1><b2>-5.082046285e+01</b2></T_range></specie><specie inp_file_name="SrCO3(a)"><identification><InChIKey>LEDMRZGFZIAGGB-UHFFFAOYSA-L</InChIKey><canonical_smiles>C(=O)([O-])[O-].[Sr+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>strontium;carbonate</IUPAC_name></identification><comment>Alpha,rhombic. Gurvich,1996a pt1 p532 pt2 p411.</comment><reference>tpis96</reference><elements><element Sr="1" /><element C="1" /><element O="3" /></elements><condensed>True</condensed><molecular_weight>0.14762889999999998</molecular_weight><hf298.15>-1226000.000</hf298.15><T_range Thigh="500.0" Tlow="200.0"><a1>-3.185109310e+07</a1><a2>5.983944250e+05</a2><a3>-4.555778730e+03</a3><a4>1.807422903e+01</a4><a5>-3.922550990e-02</a5><a6>4.443338240e-05</a6><a7>-2.057838162e-08</a7><b1>-2.840270234e+06</b1><b2>2.379927032e+04</b2></T_range><T_range Thigh="1198.0" Tlow="500.0"><a1>-4.737741611e+05</a1><a2>0.000000000e+00</a2><a3>1.829247905e+01</a3><a4>-1.342833192e-02</a4><a5>1.073412624e-05</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.539939771e+05</b1><b2>-9.167197246e+01</b2></T_range></specie><specie inp_file_name="SrCO3(b)"><identification><InChIKey>LEDMRZGFZIAGGB-UHFFFAOYSA-L</InChIKey><canonical_smiles>C(=O)([O-])[O-].[Sr+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>strontium;carbonate</IUPAC_name></identification><comment>Beta,rhombic. Gurvich,1996a pt1 p532 pt2 p411.</comment><reference>tpis96</reference><elements><element Sr="1" /><element C="1" /><element O="3" /></elements><condensed>True</condensed><molecular_weight>0.14762889999999998</molecular_weight><hf298.15>-1226000.000</hf298.15><T_range Thigh="1689.0" Tlow="1198.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.755966377e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.541962605e+05</b1><b2>-9.302015968e+01</b2></T_range></specie><specie inp_file_name="SrCO3(c)"><identification><InChIKey>LEDMRZGFZIAGGB-UHFFFAOYSA-L</InChIKey><canonical_smiles>C(=O)([O-])[O-].[Sr+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>strontium;carbonate</IUPAC_name></identification><comment>Gamma,cubic. Gurvich,1996a pt1 p532 pt2 p411.</comment><reference>tpis96</reference><elements><element Sr="1" /><element C="1" /><element O="3" /></elements><condensed>True</condensed><molecular_weight>0.14762889999999998</molecular_weight><hf298.15>-1226000.000</hf298.15><T_range Thigh="1767.0" Tlow="1689.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.755966377e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.541962605e+05</b1><b2>-9.302015968e+01</b2></T_range></specie><specie inp_file_name="SrCO3(L)"><identification><InChIKey>LEDMRZGFZIAGGB-UHFFFAOYSA-L</InChIKey><canonical_smiles>C(=O)([O-])[O-].[Sr+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>strontium;carbonate</IUPAC_name></identification><comment>Liquid. Gurvich,1996a pt1 p532 pt2 p411.</comment><reference>tpis96</reference><elements><element Sr="1" /><element C="1" /><element O="3" /></elements><condensed>True</condensed><molecular_weight>0.14762889999999998</molecular_weight><hf298.15>-1226000.000</hf298.15><T_range Thigh="6000.0" Tlow="1767.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.984482549e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.534232745e+05</b1><b2>-1.073837834e+02</b2></T_range></specie><specie inp_file_name="SrCl2(a)"><identification><InChIKey>AHBGXTDRMVNFER-UHFFFAOYSA-L</InChIKey><canonical_smiles>[Cl-].[Cl-].[Sr+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>strontium;dichloride</IUPAC_name></identification><comment>Alpha,cubic. Gurvich,1996a pt1 p518 pt2 p400.</comment><reference>tpis96</reference><elements><element Sr="1" /><element Cl="2" /></elements><condensed>True</condensed><molecular_weight>0.158526</molecular_weight><hf298.15>-833000.000</hf298.15><T_range Thigh="700.0" Tlow="200.0"><a1>-8.219302560e+05</a1><a2>1.414627236e+04</a2><a3>-9.066868860e+01</a3><a4>3.537351300e-01</a4><a5>-6.601840230e-04</a5><a6>6.294183590e-07</a6><a7>-2.405335168e-10</a7><b1>-1.675299882e+05</b1><b2>4.920219760e+02</b2></T_range><T_range Thigh="990.0" Tlow="700.0"><a1>1.112527665e+09</a1><a2>0.000000000e+00</a2><a3>-1.718772952e+04</a3><a4>4.254819093e+01</a4><a5>-3.935556431e-02</a5><a6>1.290928281e-05</a6><a7>0.000000000e+00</a7><b1>6.824931370e+06</b1><b2>9.213791630e+04</b2></T_range></specie><specie inp_file_name="SrCl2(b)"><identification><InChIKey>AHBGXTDRMVNFER-UHFFFAOYSA-L</InChIKey><canonical_smiles>[Cl-].[Cl-].[Sr+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>strontium;dichloride</IUPAC_name></identification><comment>Beta,cubic. Gurvich,1996a pt1 p518 pt2 p400.</comment><reference>tpis96</reference><elements><element Sr="1" /><element Cl="2" /></elements><condensed>True</condensed><molecular_weight>0.158526</molecular_weight><hf298.15>-833000.000</hf298.15><T_range Thigh="1147.0" Tlow="900.0"><a1>2.652616089e+08</a1><a2>0.000000000e+00</a2><a3>-6.137593196e+02</a3><a4>3.705888862e-01</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>6.013938810e+05</b1><b2>4.028366895e+03</b2></T_range></specie><specie inp_file_name="SrCl2(L)"><identification><InChIKey>AHBGXTDRMVNFER-UHFFFAOYSA-L</InChIKey><canonical_smiles>[Cl-].[Cl-].[Sr+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>strontium;dichloride</IUPAC_name></identification><comment>Liquid. Gurvich,1996a pt1 p518 pt2 p400.</comment><reference>tpis96</reference><elements><element Sr="1" /><element Cl="2" /></elements><condensed>True</condensed><molecular_weight>0.158526</molecular_weight><hf298.15>-833000.000</hf298.15><T_range Thigh="6000.0" Tlow="1147.0"><a1>-1.621863465e+06</a1><a2>0.000000000e+00</a2><a3>1.278463794e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.040518221e+05</b1><b2>-6.010500872e+01</b2></T_range></specie><specie inp_file_name="SrF2(a)"><identification><InChIKey>FVRNDBHWWSPNOM-UHFFFAOYSA-L</InChIKey><canonical_smiles>[F-].[F-].[Sr+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>strontium;difluoride</IUPAC_name></identification><comment>Alpha,cubic. Gurvich,1996a pt1 p513 pt2 p396.</comment><reference>tpis96</reference><elements><element Sr="1" /><element F="2" /></elements><condensed>True</condensed><molecular_weight>0.1256168064</molecular_weight><hf298.15>-1229000.000</hf298.15><T_range Thigh="800.0" Tlow="200.0"><a1>-1.436181472e+04</a1><a2>-3.902704550e+02</a2><a3>9.084528850e+00</a3><a4>4.747017010e-03</a4><a5>-9.922331280e-06</a5><a6>1.169135473e-08</a6><a7>-4.825603120e-12</a7><b1>-1.484911532e+05</b1><b2>-4.433988680e+01</b2></T_range><T_range Thigh="1484.0" Tlow="800.0"><a1>-1.706744719e+07</a1><a2>2.576630531e+04</a2><a3>3.257893350e+01</a3><a4>-3.032276697e-02</a4><a5>-2.832102640e-05</a5><a6>2.982419101e-08</a6><a7>-2.378577761e-12</a7><b1>-3.511043830e+05</b1><b2>-1.514196992e+02</b2></T_range></specie><specie inp_file_name="SrF2(b)"><identification><InChIKey>FVRNDBHWWSPNOM-UHFFFAOYSA-L</InChIKey><canonical_smiles>[F-].[F-].[Sr+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>strontium;difluoride</IUPAC_name></identification><comment>Beta,cubic. Gurvich,1996a pt1 p513 pt2 p396.</comment><reference>tpis96</reference><elements><element Sr="1" /><element F="2" /></elements><condensed>True</condensed><molecular_weight>0.1256168064</molecular_weight><hf298.15>-1229000.000</hf298.15><T_range Thigh="1750.0" Tlow="1484.0"><a1>5.274154560e+09</a1><a2>-9.287005960e+04</a2><a3>-1.188369557e+04</a3><a4>9.829240680e+00</a4><a5>-2.277347958e-03</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>1.339064905e+07</b1><b2>7.586298750e+04</b2></T_range></specie><specie inp_file_name="SrF2(L)"><identification><InChIKey>FVRNDBHWWSPNOM-UHFFFAOYSA-L</InChIKey><canonical_smiles>[F-].[F-].[Sr+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>strontium;difluoride</IUPAC_name></identification><comment>Liquid. Gurvich,1996a pt1 p515 pt2 p396.</comment><reference>tpis96</reference><elements><element Sr="1" /><element F="2" /></elements><condensed>True</condensed><molecular_weight>0.1256168064</molecular_weight><hf298.15>-1229000.000</hf298.15><T_range Thigh="6000.0" Tlow="1750.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.190689530e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.478877648e+05</b1><b2>-5.796718683e+01</b2></T_range></specie><specie inp_file_name="SrH2(a)"><identification><InChIKey>ONYCUIABXVBCTR-UHFFFAOYSA-N</InChIKey><canonical_smiles>[H-].[H-].[Sr+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>strontium;hydride</IUPAC_name></identification><comment>Alpha,rhombic. Gurvich,1996a pt1 p501 pt2 p389.</comment><reference>tpis96</reference><elements><element Sr="1" /><element H="2" /></elements><condensed>True</condensed><molecular_weight>0.08963588</molecular_weight><hf298.15>-180000.000</hf298.15><T_range Thigh="1128.0" Tlow="298.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>4.125438541e+00</a3><a4>3.912437414e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-2.305279501e+04</b1><b2>-1.841745147e+01</b2></T_range></specie><specie inp_file_name="SrH2(b)"><identification><InChIKey>ONYCUIABXVBCTR-UHFFFAOYSA-N</InChIKey><canonical_smiles>[H-].[H-].[Sr+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>strontium;hydride</IUPAC_name></identification><comment>Beta. Gurvich,1996a pt1 p501 pt2 p389.</comment><reference>tpis96</reference><elements><element Sr="1" /><element H="2" /></elements><condensed>True</condensed><molecular_weight>0.08963588</molecular_weight><hf298.15>-180000.000</hf298.15><T_range Thigh="1323.0" Tlow="1128.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>8.539288545e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-2.467660041e+04</b1><b2>-4.425795748e+01</b2></T_range></specie><specie inp_file_name="SrH2(L)"><identification><InChIKey>ONYCUIABXVBCTR-UHFFFAOYSA-N</InChIKey><canonical_smiles>[H-].[H-].[Sr+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>strontium;hydride</IUPAC_name></identification><comment>Liquid. Gurvich,1996a pt1 p501 pt2 p389.</comment><reference>tpis96</reference><elements><element Sr="1" /><element H="2" /></elements><condensed>True</condensed><molecular_weight>0.08963588</molecular_weight><hf298.15>-180000.000</hf298.15><T_range Thigh="6000.0" Tlow="1323.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>9.020375224e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-2.254682969e+04</b1><b2>-4.562495289e+01</b2></T_range></specie><specie inp_file_name="SrI2(cr)"><identification><InChIKey>KRIJWFBRWPCESA-UHFFFAOYSA-L</InChIKey><canonical_smiles>[Sr+2].[I-].[I-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>strontium;diiodide</IUPAC_name></identification><comment>Rhombic. Gurvich,1996a pt1 p527 pt2 p406.</comment><reference>tpis96</reference><elements><element Sr="1" /><element I="2" /></elements><condensed>True</condensed><molecular_weight>0.34142894</molecular_weight><hf298.15>-568000.000</hf298.15><T_range Thigh="811.0" Tlow="200.0"><a1>-8.531836590e+05</a1><a2>1.396294943e+04</a2><a3>-8.134381170e+01</a3><a4>2.923620048e-01</a4><a5>-4.941293260e-04</a5><a6>4.280629170e-07</a6><a7>-1.479234641e-10</a7><b1>-1.358835709e+05</b1><b2>4.559376890e+02</b2></T_range></specie><specie inp_file_name="SrI2(L)"><identification><InChIKey>KRIJWFBRWPCESA-UHFFFAOYSA-L</InChIKey><canonical_smiles>[Sr+2].[I-].[I-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>strontium;diiodide</IUPAC_name></identification><comment>Liquid. Gurvich,1996a pt1 p527 pt2 p406.</comment><reference>tpis96</reference><elements><element Sr="1" /><element I="2" /></elements><condensed>True</condensed><molecular_weight>0.34142894</molecular_weight><hf298.15>-568000.000</hf298.15><T_range Thigh="6000.0" Tlow="811.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.322988366e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-7.143040870e+04</b1><b2>-5.646969655e+01</b2></T_range></specie><specie inp_file_name="SrO(cr)"><identification><InChIKey>UFQXGXDIJMBKTC-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[Sr]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>oxostrontium</IUPAC_name></identification><comment>Cubic. Gurvich,1996a pt1 p494 pt2 p383.</comment><reference>tpis96</reference><elements><element Sr="1" /><element O="1" /></elements><condensed>True</condensed><molecular_weight>0.1036194</molecular_weight><hf298.15>-591000.000</hf298.15><T_range Thigh="500.0" Tlow="200.0"><a1>-1.625438799e+06</a1><a2>2.932375088e+04</a2><a3>-2.136643281e+02</a3><a4>8.526581540e-01</a4><a5>-1.819594223e-03</a5><a6>2.035599655e-06</a6><a7>-9.340883290e-10</a7><b1>-2.053069998e+05</b1><b2>1.123784285e+03</b2></T_range><T_range Thigh="1800.0" Tlow="500.0"><a1>-3.410904551e+04</a1><a2>0.000000000e+00</a2><a3>5.049245235e+00</a3><a4>3.431471007e-03</a4><a5>-3.042151612e-06</a5><a6>9.069686608e-10</a6><a7>0.000000000e+00</a7><b1>-7.282782040e+04</b1><b2>-2.317163697e+01</b2></T_range><T_range Thigh="2805.0" Tlow="1800.0"><a1>-3.971117961e+07</a1><a2>0.000000000e+00</a2><a3>7.850733236e+01</a3><a4>-5.336790743e-02</a4><a5>1.125297823e-05</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.604896850e+05</b1><b2>-4.990588969e+02</b2></T_range></specie><specie inp_file_name="SrO(L)"><identification><InChIKey>UFQXGXDIJMBKTC-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[Sr]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>oxostrontium</IUPAC_name></identification><comment>Liquid. Gurvich,1996a pt1 p494 pt2 p383.</comment><reference>tpis96</reference><elements><element Sr="1" /><element O="1" /></elements><condensed>True</condensed><molecular_weight>0.1036194</molecular_weight><hf298.15>-591000.000</hf298.15><T_range Thigh="6000.0" Tlow="2805.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.010282025e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-7.188203330e+04</b1><b2>-5.541556063e+01</b2></T_range></specie><specie inp_file_name="Sr(OH)2(b)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Beta,tetragonal. Gurvich,1996a pt1 p505 pt2 p392.</comment><reference>tpis96</reference><elements><element Sr="1" /><element O="2" /><element H="2" /></elements><condensed>True</condensed><molecular_weight>0.12163468000000001</molecular_weight><hf298.15>-964300.000</hf298.15><T_range Thigh="753.0" Tlow="200.0"><a1>5.749774650e+05</a1><a2>-9.564782420e+03</a2><a3>6.310466570e+01</a3><a4>-1.470270543e-01</a4><a5>2.468488663e-04</a5><a6>-2.041763520e-07</a6><a7>6.865596260e-11</a7><b1>-7.364279180e+04</b1><b2>-3.424340180e+02</b2></T_range></specie><specie inp_file_name="Sr(OH)2(a)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Alpha. Gurvich,1996a pt1 p505 pt2 p392.</comment><reference>tpis96</reference><elements><element Sr="1" /><element O="2" /><element H="2" /></elements><condensed>True</condensed><molecular_weight>0.12163468000000001</molecular_weight><hf298.15>-964300.000</hf298.15><T_range Thigh="808.0" Tlow="753.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.563531705e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.216576455e+05</b1><b2>-8.006737394e+01</b2></T_range></specie><specie inp_file_name="Sr(OH)2(L)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Liquid. Gurvich,1996a pt1 p505 pt2 p392.</comment><reference>tpis96</reference><elements><element Sr="1" /><element O="2" /><element H="2" /></elements><condensed>True</condensed><molecular_weight>0.12163468000000001</molecular_weight><hf298.15>-964300.000</hf298.15><T_range Thigh="6000.0" Tlow="808.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.840156546e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.211265258e+05</b1><b2>-9.516262078e+01</b2></T_range></specie><specie inp_file_name="SrS(cr)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Cubic. Gurvich,1996a pt1 p528 pt2 p408.</comment><reference>tpis96</reference><elements><element Sr="1" /><element S="1" /></elements><condensed>True</condensed><molecular_weight>0.119685</molecular_weight><hf298.15>-480000.000</hf298.15><T_range Thigh="500.0" Tlow="200.0"><a1>2.688173776e+06</a1><a2>-5.010846740e+04</a2><a3>3.813026790e+02</a3><a4>-1.462623236e+00</a4><a5>3.138875273e-03</a5><a6>-3.522660370e-06</a6><a7>1.619531388e-09</a7><b1>1.665724752e+05</b1><b2>-1.992760719e+03</b2></T_range><T_range Thigh="2500.0" Tlow="500.0"><a1>-1.221960164e+04</a1><a2>0.000000000e+00</a2><a3>5.716873273e+00</a3><a4>9.316243531e-04</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-5.951728090e+04</b1><b2>-2.471633956e+01</b2></T_range></specie><specie inp_file_name="SrS(L)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Liquid. Gurvich,1996a pt1 p528 pt2 p408.</comment><reference>tpis96</reference><elements><element Sr="1" /><element S="1" /></elements><condensed>True</condensed><molecular_weight>0.119685</molecular_weight><hf298.15>-480000.000</hf298.15><T_range Thigh="6000.0" Tlow="2500.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>8.058201866e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-5.487727330e+04</b1><b2>-3.767411768e+01</b2></T_range></specie><specie inp_file_name="SrSO4(a)"><identification><InChIKey>UBXAKNTVXQMEAG-UHFFFAOYSA-L</InChIKey><canonical_smiles>[O-]S(=O)(=O)[O-].[Sr+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>strontium;sulfate</IUPAC_name></identification><comment>Alpha,Rhombic. Gurvich,1996a pt1 p531 pt2 p410.</comment><reference>tpis96</reference><elements><element Sr="1" /><element S="1" /><element O="4" /></elements><condensed>True</condensed><molecular_weight>0.1836826</molecular_weight><hf298.15>-1457000.000</hf298.15><T_range Thigh="1430.0" Tlow="298.15"><a1>-2.524863161e+05</a1><a2>0.000000000e+00</a2><a3>1.319271972e+01</a3><a4>6.424070691e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.803016041e+05</b1><b2>-6.394942426e+01</b2></T_range></specie><specie inp_file_name="SrSO4(b)"><identification><InChIKey>UBXAKNTVXQMEAG-UHFFFAOYSA-L</InChIKey><canonical_smiles>[O-]S(=O)(=O)[O-].[Sr+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>strontium;sulfate</IUPAC_name></identification><comment>Beta,hexagonal. Gurvich,1996a pt1 p531 pt2 p410.</comment><reference>tpis96</reference><elements><element Sr="1" /><element S="1" /><element O="4" /></elements><condensed>True</condensed><molecular_weight>0.1836826</molecular_weight><hf298.15>-1457000.000</hf298.15><T_range Thigh="1880.0" Tlow="1430.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.044618384e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.827264862e+05</b1><b2>-1.065597408e+02</b2></T_range></specie><specie inp_file_name="SrSO4(L)"><identification><InChIKey>UBXAKNTVXQMEAG-UHFFFAOYSA-L</InChIKey><canonical_smiles>[O-]S(=O)(=O)[O-].[Sr+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>strontium;sulfate</IUPAC_name></identification><comment>Liquid. Gurvich,1996a pt1 p531 pt2 p410.</comment><reference>tpis96</reference><elements><element Sr="1" /><element S="1" /><element O="4" /></elements><condensed>True</condensed><molecular_weight>0.1836826</molecular_weight><hf298.15>-1457000.000</hf298.15><T_range Thigh="6000.0" Tlow="1880.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.044618384e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.783967061e+05</b1><b2>-1.042566663e+02</b2></T_range></specie><specie inp_file_name="Ta(cr)"><identification><InChIKey>GUVRBAGPIYLISA-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Ta]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>tantalum</IUPAC_name></identification><comment>Crystal. Ref-Elm. Chase,1998 pp1899-1901.</comment><reference>j12/72</reference><elements><element Ta="1" /></elements><condensed>True</condensed><molecular_weight>0.1809479</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>1.519941999e+04</a1><a2>-4.927143830e+02</a2><a3>6.855605760e+00</a3><a4>-1.366625579e-02</a4><a5>2.561466303e-05</a5><a6>-2.235631116e-08</a6><a7>7.389831320e-12</a7><b1>1.236077891e+03</b1><b2>-3.252075490e+01</b2></T_range><T_range Thigh="2000.0" Tlow="1000.0"><a1>-1.002219854e+08</a1><a2>4.696591430e+05</a2><a3>-8.992639340e+02</a3><a4>9.084714280e-01</a4><a5>-5.043323480e-04</a5><a6>1.463919859e-07</a6><a7>-1.734426993e-11</a7><b1>-2.762235634e+06</b1><b2>5.939534460e+03</b2></T_range><T_range Thigh="3258.0" Tlow="2000.0"><a1>3.305034810e+05</a1><a2>8.564351680e+01</a2><a3>-1.797593491e+00</a3><a4>6.549784340e-03</a4><a5>-2.878793550e-06</a5><a6>4.952725110e-10</a6><a7>-7.703452530e-15</a7><b1>1.556933077e+03</b1><b2>1.641047132e+01</b2></T_range></specie><specie inp_file_name="Ta(L)"><identification><InChIKey>GUVRBAGPIYLISA-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Ta]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>tantalum</IUPAC_name></identification><comment>Liquid. Ref-Elm. Chase,1998 pp1899-1901.</comment><reference>j12/72</reference><elements><element Ta="1" /></elements><condensed>True</condensed><molecular_weight>0.1809479</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="6000.0" Tlow="3258.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>5.032166658e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-7.436042760e+02</b1><b2>-2.597362534e+01</b2></T_range></specie><specie inp_file_name="TaC(cr)"><identification><InChIKey>DUMHRFXBHXIRTD-UHFFFAOYSA-N</InChIKey><canonical_smiles>[C-]#[Ta+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>methanidylidynetantalum(1+)</IUPAC_name></identification><comment>Chase,1998 pp652-4.</comment><reference>j12/73</reference><elements><element Ta="1" /><element C="1" /></elements><condensed>True</condensed><molecular_weight>0.19295859999999998</molecular_weight><hf298.15>-144096.960</hf298.15><T_range Thigh="800.0" Tlow="200.0"><a1>-1.182153887e+04</a1><a2>2.152843262e+02</a2><a3>-1.710781252e+00</a3><a4>3.226351270e-02</a4><a5>-6.059170690e-05</a5><a6>5.540177420e-08</a6><a7>-1.961814434e-11</a7><b1>-1.908587628e+04</b1><b2>8.122034510e+00</b2></T_range><T_range Thigh="4273.0" Tlow="800.0"><a1>-1.540090534e+05</a1><a2>2.156690707e+02</a2><a3>5.001633620e+00</a3><a4>1.161840292e-03</a4><a5>-1.062186764e-07</a5><a6>2.082367078e-11</a6><a7>-1.580991193e-15</a7><b1>-2.062101769e+04</b1><b2>-2.388952788e+01</b2></T_range></specie><specie inp_file_name="TaC(L)"><identification><InChIKey>DUMHRFXBHXIRTD-UHFFFAOYSA-N</InChIKey><canonical_smiles>[C-]#[Ta+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>methanidylidynetantalum(1+)</IUPAC_name></identification><comment>Chase,1998 pp652-4.</comment><reference>j12/73</reference><elements><element Ta="1" /><element C="1" /></elements><condensed>True</condensed><molecular_weight>0.19295859999999998</molecular_weight><hf298.15>-144096.960</hf298.15><T_range Thigh="6000.0" Tlow="4273.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>8.051466653e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.010399602e+04</b1><b2>-4.208381497e+01</b2></T_range></specie><specie inp_file_name="Ta2O5(II)"><identification><InChIKey>BPUBBGLMJRNUCC-UHFFFAOYSA-N</InChIKey><canonical_smiles>[O-2].[O-2].[O-2].[O-2].[O-2].[Ta+5].[Ta+5]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>oxygen(2-);tantalum(5+)</IUPAC_name></identification><comment>Rhombic. Gurvich,1982 pt1 p91 pt2 p92.</comment><reference>tpis82</reference><elements><element Ta="2" /><element O="5" /></elements><condensed>True</condensed><molecular_weight>0.44189280000000003</molecular_weight><hf298.15>-2049000.000</hf298.15><T_range Thigh="500.0" Tlow="200.0"><a1>-3.279677980e+06</a1><a2>6.126833460e+04</a2><a3>-4.710233330e+02</a3><a4>1.998455231e+00</a4><a5>-4.425553760e-03</a5><a6>5.098341430e-06</a6><a7>-2.392974558e-09</a7><b1>-5.247547580e+05</b1><b2>2.448363106e+03</b2></T_range><T_range Thigh="1633.0" Tlow="500.0"><a1>-2.735481912e+05</a1><a2>0.000000000e+00</a2><a3>1.819193368e+01</a3><a4>3.735655440e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-2.529440756e+05</b1><b2>-8.923622860e+01</b2></T_range></specie><specie inp_file_name="Ta2O5(I)"><identification><InChIKey>BPUBBGLMJRNUCC-UHFFFAOYSA-N</InChIKey><canonical_smiles>[O-2].[O-2].[O-2].[O-2].[O-2].[Ta+5].[Ta+5]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>oxygen(2-);tantalum(5+)</IUPAC_name></identification><comment>Monoclinic. Gurvich,1982 pt1 p91 pt2 p92.</comment><reference>tpis82</reference><elements><element Ta="2" /><element O="5" /></elements><condensed>True</condensed><molecular_weight>0.44189280000000003</molecular_weight><hf298.15>-2049000.000</hf298.15><T_range Thigh="2150.0" Tlow="1633.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.525705063e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-2.590924400e+05</b1><b2>-1.352062771e+02</b2></T_range></specie><specie inp_file_name="Ta2O5(L)"><identification><InChIKey>BPUBBGLMJRNUCC-UHFFFAOYSA-N</InChIKey><canonical_smiles>[O-2].[O-2].[O-2].[O-2].[O-2].[Ta+5].[Ta+5]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>oxygen(2-);tantalum(5+)</IUPAC_name></identification><comment>Liquid. Gurvich,1982 pt1 p91 pt2 p92.</comment><reference>tpis82</reference><elements><element Ta="2" /><element O="5" /></elements><condensed>True</condensed><molecular_weight>0.44189280000000003</molecular_weight><hf298.15>-2049000.000</hf298.15><T_range Thigh="6000.0" Tlow="2150.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.645976732e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-2.472456805e+05</b1><b2>-1.377221533e+02</b2></T_range></specie><specie inp_file_name="Th(a)"><identification><InChIKey>ZSLUVFAKFWKJRC-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Th]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>thorium</IUPAC_name></identification><comment>Alpha. Ref-Elm. Cox,1989 p239.</comment><reference>coda89</reference><elements><element Th="1" /></elements><condensed>True</condensed><molecular_weight>0.2320381</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="1650.0" Tlow="200.0"><a1>-1.453247151e+04</a1><a2>1.505222433e+02</a2><a3>2.270694767e+00</a3><a4>2.058614354e-03</a4><a5>-9.216614670e-07</a5><a6>4.316796340e-10</a6><a7>-7.950656800e-14</a7><b1>-1.667536353e+03</b1><b2>-6.857176980e+00</b2></T_range></specie><specie inp_file_name="Th(b)"><identification><InChIKey>ZSLUVFAKFWKJRC-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Th]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>thorium</IUPAC_name></identification><comment>Beta. Ref-Elm. Cox,1989 p239.</comment><reference>coda89</reference><elements><element Th="1" /></elements><condensed>True</condensed><molecular_weight>0.2320381</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="2023.0" Tlow="1650.0"><a1>8.360316570e+06</a1><a2>-2.333327743e+04</a2><a3>2.783594798e+01</a3><a4>-1.293559561e-02</a4><a5>3.966098040e-06</a5><a6>-4.361984440e-10</a6><a7>0.000000000e+00</a7><b1>1.501326293e+05</b1><b2>-1.894583434e+02</b2></T_range></specie><specie inp_file_name="Th(L)"><identification><InChIKey>ZSLUVFAKFWKJRC-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Th]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>thorium</IUPAC_name></identification><comment>Liquid. Ref-Elm. Cox,1989 p239.</comment><reference>coda89</reference><elements><element Th="1" /></elements><condensed>True</condensed><molecular_weight>0.2320381</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="6000.0" Tlow="2023.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>5.532496804e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-2.191824935e+03</b1><b2>-2.760071917e+01</b2></T_range></specie><specie inp_file_name="Ti(a)"><identification><InChIKey>RTAQQCXQSZGOHL-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Ti]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>titanium</IUPAC_name></identification><comment>Alpha. Ref-Elm. Cox,1989 p230.</comment><reference>coda89</reference><elements><element Ti="1" /></elements><condensed>True</condensed><molecular_weight>0.047867</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="900.0" Tlow="200.0"><a1>3.598601350e+04</a1><a2>-8.272305960e+02</a2><a3>7.689097770e+00</a3><a4>-1.143968449e-02</a4><a5>1.392105464e-05</a5><a6>-4.691057160e-09</a6><a7>-9.852130400e-13</a7><b1>2.936621421e+03</b1><b2>-3.985138010e+01</b2></T_range><T_range Thigh="1156.0" Tlow="900.0"><a1>-2.876235910e+06</a1><a2>0.000000000e+00</a2><a3>4.573153420e+01</a3><a4>-7.692381600e-02</a4><a5>3.799919490e-05</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-2.038023972e+04</b1><b2>-2.516270281e+02</b2></T_range></specie><specie inp_file_name="Ti(b)"><identification><InChIKey>RTAQQCXQSZGOHL-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Ti]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>titanium</IUPAC_name></identification><comment>Beta. Ref-Elm. Cox,1989 p230.</comment><reference>coda89</reference><elements><element Ti="1" /></elements><condensed>True</condensed><molecular_weight>0.047867</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="1944.0" Tlow="1156.0"><a1>-1.698740574e+06</a1><a2>6.576601240e+03</a2><a3>-8.556182950e+00</a3><a4>9.789585830e-03</a4><a5>-3.992418760e-06</a5><a6>1.123642773e-09</a6><a7>-1.201048055e-13</a7><b1>-3.929918290e+04</b1><b2>6.506590190e+01</b2></T_range></specie><specie inp_file_name="Ti(L)"><identification><InChIKey>RTAQQCXQSZGOHL-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Ti]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>titanium</IUPAC_name></identification><comment>Liquid. Ref-Elm. Cox,1989 p230.</comment><reference>coda89</reference><elements><element Ti="1" /></elements><condensed>True</condensed><molecular_weight>0.047867</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="6000.0" Tlow="1944.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>5.628714139e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-2.377354619e+03</b1><b2>-3.079443471e+01</b2></T_range></specie><specie inp_file_name="TiB(cr)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Crystal. Chase,1998. p258.</comment><reference>j 6/65</reference><elements><element Ti="1" /><element B="1" /></elements><condensed>True</condensed><molecular_weight>0.058677999999999994</molecular_weight><hf298.15>-160247.000</hf298.15><T_range Thigh="1100.0" Tlow="298.15"><a1>5.892962460e+05</a1><a2>-7.628387170e+03</a2><a3>3.264504220e+01</a3><a4>-4.438679670e-02</a4><a5>4.037756110e-05</a5><a6>-1.901806786e-08</a6><a7>3.662438970e-12</a7><b1>1.808566462e+04</b1><b2>-1.924926707e+02</b2></T_range><T_range Thigh="4000.0" Tlow="1100.0"><a1>9.736238960e+05</a1><a2>-2.744306202e+03</a2><a3>9.195602010e+00</a3><a4>-1.636706129e-03</a4><a5>5.676930840e-07</a5><a6>-9.258425040e-11</a6><a7>6.105669480e-15</a7><b1>-3.925082340e+03</b1><b2>-5.367424570e+01</b2></T_range></specie><specie inp_file_name="TiB2(cr)"><identification><InChIKey>TXVDUUNOLJOZCR-UHFFFAOYSA-N</InChIKey><canonical_smiles>[B][B].[Ti]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>$l^{1}-boranylboron;titanium</IUPAC_name></identification><comment>Crystal. Chase,1998 pp276-8.</comment><reference>j 6/65</reference><elements><element Ti="1" /><element B="2" /></elements><condensed>True</condensed><molecular_weight>0.06948900000000001</molecular_weight><hf298.15>-279491.000</hf298.15><T_range Thigh="2300.0" Tlow="200.0"><a1>2.701885716e+05</a1><a2>-3.989107020e+03</a2><a3>1.904595810e+01</a3><a4>-1.467951261e-02</a4><a5>1.249126541e-05</a5><a6>-4.481179720e-09</a6><a7>5.932523160e-13</a7><b1>-1.510818691e+04</b1><b2>-1.130901290e+02</b2></T_range><T_range Thigh="3193.0" Tlow="2300.0"><a1>2.449855642e+10</a1><a2>-5.420046130e+07</a2><a3>4.984385950e+04</a3><a4>-2.437314870e+01</a4><a5>6.688502930e-03</a5><a6>-9.763538800e-07</a6><a7>5.923249200e-11</a7><b1>3.589528270e+08</b1><b2>-3.651406280e+05</b2></T_range></specie><specie inp_file_name="TiB2(L)"><identification><InChIKey>TXVDUUNOLJOZCR-UHFFFAOYSA-N</InChIKey><canonical_smiles>[B][B].[Ti]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>$l^{1}-boranylboron;titanium</IUPAC_name></identification><comment>Liquid. Chase,1998 pp276-8.</comment><reference>j 6/65</reference><elements><element Ti="1" /><element B="2" /></elements><condensed>True</condensed><molecular_weight>0.06948900000000001</molecular_weight><hf298.15>-279491.000</hf298.15><T_range Thigh="6000.0" Tlow="3193.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.308363331e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-3.298172270e+04</b1><b2>-7.649131141e+01</b2></T_range></specie><specie inp_file_name="TiC(cr)"><identification><InChIKey>YXIVWSJCLXKLJL-UHFFFAOYSA-N</InChIKey><canonical_smiles>[C-]#[Ti+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>methanidylidynetitanium(1+)</IUPAC_name></identification><comment>Chase,1998 p655-7</comment><reference>j 6/68</reference><elements><element Ti="1" /><element C="1" /></elements><condensed>True</condensed><molecular_weight>0.0598777</molecular_weight><hf298.15>-184096.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-2.936209453e+05</a1><a2>4.040416860e+03</a2><a3>-2.309999326e+01</a3><a4>8.695403030e-02</a4><a5>-1.254447445e-04</a5><a6>8.803423830e-08</a6><a7>-2.403516957e-11</a7><b1>-4.217890880e+04</b1><b2>1.253486677e+02</b2></T_range><T_range Thigh="3290.0" Tlow="1000.0"><a1>-3.586824960e+05</a1><a2>1.130360992e+03</a2><a3>4.571181220e+00</a3><a4>4.332844010e-04</a4><a5>4.730133770e-07</a5><a6>-1.025727737e-10</a6><a7>8.572441560e-15</a7><b1>-3.129994969e+04</b1><b2>-2.180975207e+01</b2></T_range></specie><specie inp_file_name="TiC(L)"><identification><InChIKey>YXIVWSJCLXKLJL-UHFFFAOYSA-N</InChIKey><canonical_smiles>[C-]#[Ti+]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>methanidylidynetitanium(1+)</IUPAC_name></identification><comment>Chase,1998 p655-7</comment><reference>j 6/68</reference><elements><element Ti="1" /><element C="1" /></elements><condensed>True</condensed><molecular_weight>0.0598777</molecular_weight><hf298.15>-184096.000</hf298.15><T_range Thigh="6000.0" Tlow="3290.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>7.548249987e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.766010062e+04</b1><b2>-4.062778302e+01</b2></T_range></specie><specie inp_file_name="TiCl2(cr)"><identification><InChIKey>ZWYDDDAMNQQZHD-UHFFFAOYSA-L</InChIKey><canonical_smiles>Cl[Ti]Cl</canonical_smiles><cas_number>10049-06-6</cas_number><IUPAC_name>dichlorotitanium</IUPAC_name></identification><comment>Chase,1998 p865.</comment><reference>j12/68</reference><elements><element Ti="1" /><element Cl="2" /></elements><condensed>True</condensed><molecular_weight>0.11877299999999999</molecular_weight><hf298.15>-515470.000</hf298.15><T_range Thigh="800.0" Tlow="200.0"><a1>6.275502170e+05</a1><a2>-1.149039253e+04</a2><a3>8.470916630e+01</a3><a4>-2.539508065e-01</a4><a5>4.582690050e-04</a5><a6>-4.167293950e-07</a6><a7>1.508542615e-10</a7><b1>-1.168917881e+04</b1><b2>-4.484122170e+02</b2></T_range><T_range Thigh="2000.0" Tlow="800.0"><a1>3.621030580e+06</a1><a2>-1.684661798e+04</a2><a3>4.010076440e+01</a3><a4>-2.963515568e-02</a4><a5>1.756075169e-05</a5><a6>-5.065847400e-09</a6><a7>5.988802280e-13</a7><b1>3.466967030e+04</b1><b2>-2.478759697e+02</b2></T_range></specie><specie inp_file_name="TiCl3(cr)"><identification><InChIKey>YONPGGFAJWQGJC-UHFFFAOYSA-K</InChIKey><canonical_smiles>Cl[Ti](Cl)Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>trichlorotitanium</IUPAC_name></identification><comment>Chase,1998 p886.</comment><reference>j12/68</reference><elements><element Ti="1" /><element Cl="3" /></elements><condensed>True</condensed><molecular_weight>0.154226</molecular_weight><hf298.15>-721740.000</hf298.15><T_range Thigh="1500.0" Tlow="298.15"><a1>1.457928527e+05</a1><a2>-1.355589207e+03</a2><a3>1.563840194e+01</a3><a4>-4.771661650e-03</a4><a5>4.776265870e-06</a5><a6>-1.901286451e-09</a6><a7>3.011222662e-13</a7><b1>-8.308136940e+04</b1><b2>-7.479338350e+01</b2></T_range></specie><specie inp_file_name="TiCl4(L)"><identification><InChIKey>XJDNKRIXUMDJCW-UHFFFAOYSA-J</InChIKey><canonical_smiles>Cl[Ti](Cl)(Cl)Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>tetrachlorotitanium</IUPAC_name></identification><comment>Chase,1998 p904.</comment><reference>j12/67</reference><elements><element Ti="1" /><element Cl="4" /></elements><condensed>True</condensed><molecular_weight>0.18967900000000001</molecular_weight><hf298.15>-804164.800</hf298.15><T_range Thigh="700.0" Tlow="249.046"><a1>1.179781205e+06</a1><a2>-1.710994382e+04</a2><a3>1.180652525e+02</a3><a4>-3.089428313e-01</a4><a5>5.234695800e-04</a5><a6>-4.608788890e-07</a6><a7>1.654264781e-10</a7><b1>-2.053742284e+04</b1><b2>-6.204956050e+02</b2></T_range><T_range Thigh="2000.0" Tlow="700.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.714255083e+01</a3><a4>1.093131841e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.018779486e+05</b1><b2>-6.764318260e+01</b2></T_range></specie><specie inp_file_name="TiN(cr)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Chase,1998 pp1612-4.</comment><reference>j 6/68</reference><elements><element Ti="1" /><element N="1" /></elements><condensed>True</condensed><molecular_weight>0.0618737</molecular_weight><hf298.15>-337648.800</hf298.15><T_range Thigh="800.0" Tlow="200.0"><a1>-5.479117220e+05</a1><a2>9.328691110e+03</a2><a3>-6.386263890e+01</a3><a4>2.429925456e-01</a4><a5>-4.304234520e-04</a5><a6>3.792645100e-07</a6><a7>-1.317412256e-10</a7><b1>-8.424256140e+04</b1><b2>3.392988560e+02</b2></T_range><T_range Thigh="3220.0" Tlow="800.0"><a1>-3.656247060e+05</a1><a2>1.265730431e+03</a2><a3>3.831711190e+00</a3><a4>1.632900455e-03</a4><a5>-1.062786626e-07</a5><a6>1.310931390e-11</a6><a7>-5.770548410e-16</a7><b1>-5.027654400e+04</b1><b2>-1.652632899e+01</b2></T_range></specie><specie inp_file_name="TiN(L)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Chase,1998 pp1612-4.</comment><reference>j 6/68</reference><elements><element Ti="1" /><element N="1" /></elements><condensed>True</condensed><molecular_weight>0.0618737</molecular_weight><hf298.15>-337648.800</hf298.15><T_range Thigh="6000.0" Tlow="3220.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>7.548249987e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-3.626039860e+04</b1><b2>-3.958296649e+01</b2></T_range></specie><specie inp_file_name="TiO(a)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Alpha,monoclinic. Gurvich,1982 pt1 p98 pt2 p99.</comment><reference>tpis82</reference><elements><element Ti="1" /><element O="1" /></elements><condensed>True</condensed><molecular_weight>0.0638664</molecular_weight><hf298.15>-542000.000</hf298.15><T_range Thigh="500.0" Tlow="200.0"><a1>-1.126115023e+07</a1><a2>2.107240660e+05</a2><a3>-1.601946203e+03</a3><a4>6.360717840e+00</a4><a5>-1.380180278e-02</a5><a6>1.563169158e-05</a6><a7>-7.238514780e-09</a7><b1>-1.014208223e+06</b1><b2>8.368056830e+03</b2></T_range><T_range Thigh="1265.0" Tlow="500.0"><a1>-2.066517895e+05</a1><a2>0.000000000e+00</a2><a3>8.243115270e+00</a3><a4>-4.896702160e-03</a4><a5>3.806679150e-06</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-6.815384410e+04</b1><b2>-4.265310470e+01</b2></T_range></specie><specie inp_file_name="TiO(b)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Beta,cubic. Gurvich,1982 pt1 p98 pt2 p99.</comment><reference>tpis82</reference><elements><element Ti="1" /><element O="1" /></elements><condensed>True</condensed><molecular_weight>0.0638664</molecular_weight><hf298.15>-542000.000</hf298.15><T_range Thigh="1810.0" Tlow="1265.0"><a1>-1.400082506e+05</a1><a2>0.000000000e+00</a2><a3>6.173304260e+00</a3><a4>1.455287203e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-6.756357790e+04</b1><b2>-3.249519859e+01</b2></T_range></specie><specie inp_file_name="TiO(c)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gamma,cubic. Gurvich,1982 pt1 p98 pt2 p99.</comment><reference>tpis82</reference><elements><element Ti="1" /><element O="1" /></elements><condensed>True</condensed><molecular_weight>0.0638664</molecular_weight><hf298.15>-542000.000</hf298.15><T_range Thigh="2030.0" Tlow="1810.0"><a1>2.080459342e+05</a1><a2>0.000000000e+00</a2><a3>5.795530945e+00</a3><a4>1.404532558e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-6.627964090e+04</b1><b2>-2.933709305e+01</b2></T_range></specie><specie inp_file_name="TiO(L)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Liquid. Gurvich,1982 pt1 p98 pt2 p99.</comment><reference>tpis82</reference><elements><element Ti="1" /><element O="1" /></elements><condensed>True</condensed><molecular_weight>0.0638664</molecular_weight><hf298.15>-542000.000</hf298.15><T_range Thigh="6000.0" Tlow="2030.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>8.419016875e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-6.314903830e+04</b1><b2>-4.370051573e+01</b2></T_range></specie><specie inp_file_name="TiO2(cr)"><identification><InChIKey>SOQBVABWOPYFQZ-UHFFFAOYSA-N</InChIKey><canonical_smiles>[O-2].[O-2].[Ti+4]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>oxygen(2-);titanium(4+)</IUPAC_name></identification><comment>Rutile,tetragonal. Gurvich,1982 pt1 p105 pt2 p105.</comment><reference>tpis82</reference><elements><element Ti="1" /><element O="2" /></elements><condensed>True</condensed><molecular_weight>0.07986579999999999</molecular_weight><hf298.15>-944000.000</hf298.15><T_range Thigh="500.0" Tlow="200.0"><a1>1.712264157e+07</a1><a2>-2.997059314e+05</a2><a3>2.143439285e+03</a3><a4>-7.997230440e+00</a4><a5>1.661745261e-02</a5><a6>-1.817331921e-05</a6><a7>8.179403360e-09</a7><b1>1.253121023e+06</b1><b2>-1.132509587e+04</b2></T_range><T_range Thigh="2185.0" Tlow="500.0"><a1>-1.244201863e+05</a1><a2>0.000000000e+00</a2><a3>7.600577340e+00</a3><a4>1.421666301e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.162831515e+05</b1><b2>-3.834053430e+01</b2></T_range></specie><specie inp_file_name="TiO2(L)"><identification><InChIKey>SOQBVABWOPYFQZ-UHFFFAOYSA-N</InChIKey><canonical_smiles>[O-2].[O-2].[Ti+4]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>oxygen(2-);titanium(4+)</IUPAC_name></identification><comment>Liquid. Gurvich,1982 pt1 p105 pt2 p105.</comment><reference>tpis82</reference><elements><element Ti="1" /><element O="2" /></elements><condensed>True</condensed><molecular_weight>0.07986579999999999</molecular_weight><hf298.15>-944000.000</hf298.15><T_range Thigh="6000.0" Tlow="2185.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.202716696e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.143261561e+05</b1><b2>-6.551584491e+01</b2></T_range></specie><specie inp_file_name="Ti2O3(I)"><identification><InChIKey>GQUJEMVIKWQAEH-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[Ti]O[Ti]=O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>oxo(oxotitaniooxy)titanium</IUPAC_name></identification><comment>Hexagonal. Gurvich,1982 pt1 p109 pt2 p108.</comment><reference>tpis82</reference><elements><element Ti="2" /><element O="3" /></elements><condensed>True</condensed><molecular_weight>0.1437322</molecular_weight><hf298.15>-1520000.000</hf298.15><T_range Thigh="400.0" Tlow="200.0"><a1>-1.771212920e+06</a1><a2>2.344459434e+04</a2><a3>-1.110358342e+02</a3><a4>2.714352074e-01</a4><a5>-1.921153675e-04</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-2.995932792e+05</b1><b2>6.382146810e+02</b2></T_range><T_range Thigh="464.0" Tlow="400.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>5.692590423e+01</a3><a4>-2.558542837e-01</a4><a5>3.734811793e-04</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.917653868e+05</b1><b2>-2.555304929e+02</b2></T_range></specie><specie inp_file_name="Ti2O3(I')"><identification><InChIKey>GQUJEMVIKWQAEH-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[Ti]O[Ti]=O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>oxo(oxotitaniooxy)titanium</IUPAC_name></identification><comment>Hexagonal. Gurvich,1982 pt1 p109 pt2 p108.</comment><reference>tpis82</reference><elements><element Ti="2" /><element O="3" /></elements><condensed>True</condensed><molecular_weight>0.1437322</molecular_weight><hf298.15>-1520000.000</hf298.15><T_range Thigh="580.0" Tlow="464.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>9.288208205e+01</a3><a4>-2.728212486e-01</a4><a5>2.430399386e-04</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-2.022790157e+05</b1><b2>-4.543828632e+02</b2></T_range><T_range Thigh="2110.0" Tlow="580.0"><a1>4.228751905e+05</a1><a2>0.000000000e+00</a2><a3>1.281963700e+01</a3><a4>4.013104801e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.858705711e+05</b1><b2>-6.399935229e+01</b2></T_range></specie><specie inp_file_name="Ti2O3(L)"><identification><InChIKey>GQUJEMVIKWQAEH-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[Ti]O[Ti]=O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>oxo(oxotitaniooxy)titanium</IUPAC_name></identification><comment>Liquid. Gurvich,1982 pt1 p109 pt2 p108.</comment><reference>tpis82</reference><elements><element Ti="2" /><element O="3" /></elements><condensed>True</condensed><molecular_weight>0.1437322</molecular_weight><hf298.15>-1520000.000</hf298.15><T_range Thigh="6000.0" Tlow="2110.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.044618384e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.821646342e+05</b1><b2>-1.087120898e+02</b2></T_range></specie><specie inp_file_name="Ti3O5(a)"><identification><InChIKey>QUZSYSNERDCBCS-UHFFFAOYSA-N</InChIKey><canonical_smiles>[O-2].[O-2].[O-2].[O-2].[O-2].[Ti+3].[Ti+3].[Ti+3]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>oxygen(2-);titanium(3+)</IUPAC_name></identification><comment>Alpha,monoclinic. Gurvich,1982 pt1 p111 pt2 p110.</comment><reference>tpis82</reference><elements><element Ti="3" /><element O="5" /></elements><condensed>True</condensed><molecular_weight>0.22359800000000002</molecular_weight><hf298.15>-2457000.000</hf298.15><T_range Thigh="298.15" Tlow="200.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>4.315304530e+00</a3><a4>4.637018750e-02</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-2.988551027e+05</b1><b2>-2.323385163e+01</b2></T_range><T_range Thigh="448.0" Tlow="298.15"><a1>-2.175887695e+07</a1><a2>0.000000000e+00</a2><a3>1.012212506e+03</a3><a4>-3.624156324e+00</a4><a5>3.726318087e-03</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-5.421167010e+05</b1><b2>-4.959468179e+03</b2></T_range></specie><specie inp_file_name="Ti3O5(b)"><identification><InChIKey>QUZSYSNERDCBCS-UHFFFAOYSA-N</InChIKey><canonical_smiles>[O-2].[O-2].[O-2].[O-2].[O-2].[Ti+3].[Ti+3].[Ti+3]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>oxygen(2-);titanium(3+)</IUPAC_name></identification><comment>Beta,rhombic. Gurvich,1982 pt1 p111 pt2 p110.</comment><reference>tpis82</reference><elements><element Ti="3" /><element O="5" /></elements><condensed>True</condensed><molecular_weight>0.22359800000000002</molecular_weight><hf298.15>-2457000.000</hf298.15><T_range Thigh="2050.0" Tlow="448.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.020131072e+01</a3><a4>5.124775844e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-3.004933224e+05</b1><b2>-9.863577455e+01</b2></T_range></specie><specie inp_file_name="Ti3O5(L)"><identification><InChIKey>QUZSYSNERDCBCS-UHFFFAOYSA-N</InChIKey><canonical_smiles>[O-2].[O-2].[O-2].[O-2].[O-2].[Ti+3].[Ti+3].[Ti+3]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>oxygen(2-);titanium(3+)</IUPAC_name></identification><comment>Liquid. Gurvich,1982 pt1 p111 pt2 p110.</comment><reference>tpis82</reference><elements><element Ti="3" /><element O="5" /></elements><condensed>True</condensed><molecular_weight>0.22359800000000002</molecular_weight><hf298.15>-2457000.000</hf298.15><T_range Thigh="6000.0" Tlow="2050.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>3.127063411e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-2.923316313e+05</b1><b2>-1.627424211e+02</b2></T_range></specie><specie inp_file_name="Ti4O7(cr)"><identification><InChIKey>NIGQRDCKKWZASE-UHFFFAOYSA-N</InChIKey><canonical_smiles>[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Ti+3].[Ti+3].[Ti+3].[Ti+3]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>oxygen(2-);titanium(3+)</IUPAC_name></identification><comment>Triclinic. Gurvich,1982 pt1 p112 pt2 p111.</comment><reference>tpis82</reference><elements><element Ti="4" /><element O="7" /></elements><condensed>True</condensed><molecular_weight>0.3034638</molecular_weight><hf298.15>-3403000.000</hf298.15><T_range Thigh="500.0" Tlow="200.0"><a1>4.558528430e+06</a1><a2>-8.146955640e+04</a2><a3>5.758643730e+02</a3><a4>-1.933194123e+00</a4><a5>3.842536530e-03</a5><a6>-4.030781120e-06</a6><a7>1.748510017e-09</a7><b1>-4.239230760e+04</b1><b2>-3.066670887e+03</b2></T_range><T_range Thigh="1960.0" Tlow="500.0"><a1>-4.675287930e+05</a1><a2>0.000000000e+00</a2><a3>2.961388604e+01</a3><a4>5.773820220e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-4.199386150e+05</b1><b2>-1.488468383e+02</b2></T_range></specie><specie inp_file_name="Ti4O7(L)"><identification><InChIKey>NIGQRDCKKWZASE-UHFFFAOYSA-N</InChIKey><canonical_smiles>[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Ti+3].[Ti+3].[Ti+3].[Ti+3]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>oxygen(2-);titanium(3+)</IUPAC_name></identification><comment>Liquid. Gurvich,1982 pt1 p112 pt2 p111.</comment><reference>tpis82</reference><elements><element Ti="4" /><element O="7" /></elements><condensed>True</condensed><molecular_weight>0.3034638</molecular_weight><hf298.15>-3403000.000</hf298.15><T_range Thigh="6000.0" Tlow="1960.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>4.353834441e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-4.142527640e+05</b1><b2>-2.319810806e+02</b2></T_range></specie><specie inp_file_name="U(a)"><identification><InChIKey>JFALSRSLKYAFGM-UHFFFAOYSA-N</InChIKey><canonical_smiles>[U]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>uranium</IUPAC_name></identification><comment>Alpha. Ref-Elm. Cox,1989 p234.</comment><reference>coda89</reference><elements><element U="1" /></elements><condensed>True</condensed><molecular_weight>0.23802890999999998</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="942.0" Tlow="200.0"><a1>-1.540899462e+04</a1><a2>2.318801962e+02</a2><a3>1.227944510e+00</a3><a4>7.136117480e-03</a4><a5>-1.018038579e-05</a5><a6>1.136884370e-08</a6><a7>-3.669367430e-12</a7><b1>-1.986921870e+03</b1><b2>-2.035974193e+00</b2></T_range></specie><specie inp_file_name="U(b)"><identification><InChIKey>JFALSRSLKYAFGM-UHFFFAOYSA-N</InChIKey><canonical_smiles>[U]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>uranium</IUPAC_name></identification><comment>Beta. Ref-Elm. Cox,1989 p234.</comment><reference>coda89</reference><elements><element U="1" /></elements><condensed>True</condensed><molecular_weight>0.23802890999999998</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="1049.0" Tlow="942.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>5.099518793e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.672080149e+03</b1><b2>-2.378030116e+01</b2></T_range></specie><specie inp_file_name="U(c)"><identification><InChIKey>JFALSRSLKYAFGM-UHFFFAOYSA-N</InChIKey><canonical_smiles>[U]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>uranium</IUPAC_name></identification><comment>Gamma. Ref-Elm. Cox,1989 p234.</comment><reference>coda89</reference><elements><element U="1" /></elements><condensed>True</condensed><molecular_weight>0.23802890999999998</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="1408.0" Tlow="1049.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>4.606404947e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-5.859187270e+02</b1><b2>-1.980809042e+01</b2></T_range></specie><specie inp_file_name="U(L)"><identification><InChIKey>JFALSRSLKYAFGM-UHFFFAOYSA-N</InChIKey><canonical_smiles>[U]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>uranium</IUPAC_name></identification><comment>Liquid. Ref-Elm. Cox,1989 p234.</comment><reference>coda89</reference><elements><element U="1" /></elements><condensed>True</condensed><molecular_weight>0.23802890999999998</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="4000.0" Tlow="1408.0"><a1>-9.466562120e+04</a1><a2>8.526619680e+02</a2><a3>4.209128020e+00</a3><a4>8.407200810e-04</a4><a5>-1.309545676e-07</a5><a6>1.985020032e-11</a6><a7>-1.231574075e-15</a7><b1>-5.956398090e+03</b1><b2>-1.667247672e+01</b2></T_range></specie><specie inp_file_name="UF3(cr)"><identification><InChIKey>QKQVZMHSFHTREC-UHFFFAOYSA-K</InChIKey><canonical_smiles>F[U](F)F</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>trifluorouranium</IUPAC_name></identification><comment>Hexagonal. Gurvich,1982 pt1 p209 pt2 p236.</comment><reference>tpis82</reference><elements><element U="1" /><element F="3" /></elements><condensed>True</condensed><molecular_weight>0.2950241196</molecular_weight><hf298.15>-1508700.000</hf298.15><T_range Thigh="1768.0" Tlow="298.15"><a1>-1.245413139e+05</a1><a2>0.000000000e+00</a2><a3>1.281362341e+01</a3><a4>8.479152710e-05</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.856957321e+05</b1><b2>-5.889112439e+01</b2></T_range></specie><specie inp_file_name="UF3(L)"><identification><InChIKey>QKQVZMHSFHTREC-UHFFFAOYSA-K</InChIKey><canonical_smiles>F[U](F)F</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>trifluorouranium</IUPAC_name></identification><comment>Liquid. Gurvich,1982 pt1 p209 pt2 p236.</comment><reference>tpis82</reference><elements><element U="1" /><element F="3" /></elements><condensed>True</condensed><molecular_weight>0.2950241196</molecular_weight><hf298.15>-1508700.000</hf298.15><T_range Thigh="6000.0" Tlow="1768.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.611640373e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.869060867e+05</b1><b2>-8.091478353e+01</b2></T_range></specie><specie inp_file_name="UF4(cr)"><identification><InChIKey>MZFRHHGRNOIMLW-UHFFFAOYSA-J</InChIKey><canonical_smiles>F[U](F)(F)F</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>tetrafluorouranium</IUPAC_name></identification><comment>Monoclinic. Gurvich,1982 pt1 p212 pt2 p243.</comment><reference>tpis82</reference><elements><element U="1" /><element F="4" /></elements><condensed>True</condensed><molecular_weight>0.3140225228</molecular_weight><hf298.15>-1920500.000</hf298.15><T_range Thigh="500.0" Tlow="200.0"><a1>-1.900846659e+06</a1><a2>3.555369140e+04</a2><a3>-2.684351890e+02</a3><a4>1.162227739e+00</a4><a5>-2.589319495e-03</a5><a6>2.991673531e-06</a6><a7>-1.405949560e-09</a7><b1>-3.939232500e+05</b1><b2>1.401148993e+03</b2></T_range><T_range Thigh="1309.0" Tlow="500.0"><a1>-1.687548936e+05</a1><a2>0.000000000e+00</a2><a3>1.670280525e+01</a3><a4>-3.858715240e-03</a4><a5>3.366874970e-06</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-2.363858828e+05</b1><b2>-7.687256170e+01</b2></T_range></specie><specie inp_file_name="UF4(L)"><identification><InChIKey>MZFRHHGRNOIMLW-UHFFFAOYSA-J</InChIKey><canonical_smiles>F[U](F)(F)F</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>tetrafluorouranium</IUPAC_name></identification><comment>Liquid. Gurvich,1982 pt1 p212 pt2 p243.</comment><reference>tpis82</reference><elements><element U="1" /><element F="4" /></elements><condensed>True</condensed><molecular_weight>0.3140225228</molecular_weight><hf298.15>-1920500.000</hf298.15><T_range Thigh="6000.0" Tlow="1309.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.008536883e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-2.358206485e+05</b1><b2>-9.894817389e+01</b2></T_range></specie><specie inp_file_name="UF5(b)"><identification><InChIKey>JNVYCANIFQDNST-UHFFFAOYSA-I</InChIKey><canonical_smiles>F[U](F)(F)(F)F</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>pentafluorouranium</IUPAC_name></identification><comment>Beta,tetragonal. Gurvich,1982 pt1 p217 pt2 p250.</comment><reference>tpis82</reference><elements><element U="1" /><element F="5" /></elements><condensed>True</condensed><molecular_weight>0.333020926</molecular_weight><hf298.15>-2083000.000</hf298.15><T_range Thigh="398.0" Tlow="298.15"><a1>-2.315229641e+04</a1><a2>0.000000000e+00</a2><a3>1.505308190e+01</a3><a4>3.633166597e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-2.552530997e+05</b1><b2>-6.539107895e+01</b2></T_range></specie><specie inp_file_name="UF5(a)"><identification><InChIKey>JNVYCANIFQDNST-UHFFFAOYSA-I</InChIKey><canonical_smiles>F[U](F)(F)(F)F</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>pentafluorouranium</IUPAC_name></identification><comment>Alpha,tetragonal. Gurvich,1982 pt1 p217 pt2 p250.</comment><reference>tpis82</reference><elements><element U="1" /><element F="5" /></elements><condensed>True</condensed><molecular_weight>0.333020926</molecular_weight><hf298.15>-2083000.000</hf298.15><T_range Thigh="621.0" Tlow="398.0"><a1>-2.315229641e+04</a1><a2>0.000000000e+00</a2><a3>1.505308190e+01</a3><a4>3.633166597e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-2.542909264e+05</b1><b2>-6.297355795e+01</b2></T_range></specie><specie inp_file_name="UF5(L)"><identification><InChIKey>JNVYCANIFQDNST-UHFFFAOYSA-I</InChIKey><canonical_smiles>F[U](F)(F)(F)F</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>pentafluorouranium</IUPAC_name></identification><comment>Liquid. Gurvich,1982 pt1 p217 pt2 p250.</comment><reference>tpis82</reference><elements><element U="1" /><element F="5" /></elements><condensed>True</condensed><molecular_weight>0.333020926</molecular_weight><hf298.15>-2083000.000</hf298.15><T_range Thigh="6000.0" Tlow="621.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.008536883e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-2.524686368e+05</b1><b2>-8.627305038e+01</b2></T_range></specie><specie inp_file_name="UF6(cr)"><identification><InChIKey>SANRKQGLYCLAFE-UHFFFAOYSA-H</InChIKey><canonical_smiles>F[U](F)(F)(F)(F)F</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>hexafluorouranium</IUPAC_name></identification><comment>Rhombic. Gurvich,1982 pt1 p222 pt2 p532.</comment><reference>tpis82</reference><elements><element U="1" /><element F="6" /></elements><condensed>True</condensed><molecular_weight>0.3520193292</molecular_weight><hf298.15>-2197700.000</hf298.15><T_range Thigh="337.21" Tlow="100.0"><a1>1.490516238e+05</a1><a2>-4.412150490e+03</a2><a3>5.041684430e+01</a3><a4>-1.195638409e-01</a4><a5>2.070807828e-04</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-2.502294955e+05</b1><b2>-2.473731136e+02</b2></T_range></specie><specie inp_file_name="UF6(L)"><identification><InChIKey>SANRKQGLYCLAFE-UHFFFAOYSA-H</InChIKey><canonical_smiles>F[U](F)(F)(F)(F)F</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>hexafluorouranium</IUPAC_name></identification><comment>Liquid. Gurvich,1982 pt1 p222 pt2 p532.</comment><reference>tpis82</reference><elements><element U="1" /><element F="6" /></elements><condensed>True</condensed><molecular_weight>0.3520193292</molecular_weight><hf298.15>-2197700.000</hf298.15><T_range Thigh="1000.0" Tlow="337.21"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.750554152e+01</a3><a4>1.611640373e-02</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-2.680142931e+05</b1><b2>-7.051080543e+01</b2></T_range></specie><specie inp_file_name="UO2(cr)"><identification><InChIKey>FCTBKIHDJGHPPO-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[U]=O</canonical_smiles><cas_number>1344-57-6</cas_number><IUPAC_name>dioxouranium</IUPAC_name></identification><comment>Cubic. Gurvich,1982 pt1 p190 pt2 p209.</comment><reference>tpis82</reference><elements><element U="1" /><element O="2" /></elements><condensed>True</condensed><molecular_weight>0.27002771000000003</molecular_weight><hf298.15>-1085000.000</hf298.15><T_range Thigh="500.0" Tlow="200.0"><a1>-1.712140039e+07</a1><a2>3.206174610e+05</a2><a3>-2.435851508e+03</a3><a4>9.665099460e+00</a4><a5>-2.095506138e-02</a5><a6>2.371859464e-05</a6><a7>-1.097936236e-08</a7><b1>-1.574556829e+06</b1><b2>1.272869884e+04</b2></T_range><T_range Thigh="3123.0" Tlow="500.0"><a1>-2.775509993e+05</a1><a2>0.000000000e+00</a2><a3>1.161094006e+01</a3><a4>-3.430918270e-03</a4><a5>2.044412020e-06</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.347529024e+05</b1><b2>-5.751912860e+01</b2></T_range></specie><specie inp_file_name="UO2(L)"><identification><InChIKey>FCTBKIHDJGHPPO-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[U]=O</canonical_smiles><cas_number>1344-57-6</cas_number><IUPAC_name>dioxouranium</IUPAC_name></identification><comment>Liquid. Gurvich,1982 pt1 p190 pt2 p209.</comment><reference>tpis82</reference><elements><element U="1" /><element O="2" /></elements><condensed>True</condensed><molecular_weight>0.27002771000000003</molecular_weight><hf298.15>-1085000.000</hf298.15><T_range Thigh="6000.0" Tlow="3123.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.575558872e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.342007409e+05</b1><b2>-8.859616713e+01</b2></T_range></specie><specie inp_file_name="UO2F2(cr)"><identification><InChIKey>KCKICANVXIVOLK-UHFFFAOYSA-L</InChIKey><canonical_smiles>O=[U+2]=O.[F-].[F-]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dioxouranium(2+);difluoride</IUPAC_name></identification><comment>Hexagonal. Gurvich,1982 pt1 p227 pt2 p262.</comment><reference>tpis82</reference><elements><element U="1" /><element O="2" /><element F="2" /></elements><condensed>True</condensed><molecular_weight>0.3080245164</molecular_weight><hf298.15>-1653600.000</hf298.15><T_range Thigh="500.0" Tlow="200.0"><a1>2.774535231e+06</a1><a2>-5.047416500e+04</a2><a3>3.733097480e+02</a3><a4>-1.349660046e+00</a4><a5>2.816624451e-03</a5><a6>-3.086048235e-06</a6><a7>1.391361959e-09</a7><b1>2.724906305e+04</b1><b2>-1.962630228e+03</b2></T_range><T_range Thigh="2100.0" Tlow="500.0"><a1>-1.227714401e+05</a1><a2>0.000000000e+00</a2><a3>1.277741930e+01</a3><a4>3.406816370e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-2.032540376e+05</b1><b2>-5.821006900e+01</b2></T_range></specie><specie inp_file_name="UO3(c)"><identification><InChIKey>JCMLRUNDSXARRW-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[U](=O)=O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>trioxouranium</IUPAC_name></identification><comment>Gamma,monoclinic. Gurvich,1982 pt1 p195 pt2 p217.</comment><reference>tpis82</reference><elements><element U="1" /><element O="3" /></elements><condensed>True</condensed><molecular_weight>0.28602711</molecular_weight><hf298.15>-1223800.000</hf298.15><T_range Thigh="500.0" Tlow="200.0"><a1>-1.956676511e+06</a1><a2>3.951756640e+04</a2><a3>-3.223198540e+02</a3><a4>1.417862899e+00</a4><a5>-3.236211090e-03</a5><a6>3.806716410e-06</a6><a7>-1.814492554e-09</a7><b1>-3.239008630e+05</b1><b2>1.660601808e+03</b2></T_range><T_range Thigh="3000.0" Tlow="500.0"><a1>-2.090516805e+05</a1><a2>0.000000000e+00</a2><a3>1.271766576e+01</a3><a4>-2.508681376e-03</a4><a5>2.295592116e-06</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.515901509e+05</b1><b2>-6.143076620e+01</b2></T_range></specie><specie inp_file_name="U3O8(II)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Rhombic. Gurvich,1982 pt1 p199 pt2 p222.</comment><reference>tpis82</reference><elements><element U="3" /><element O="8" /></elements><condensed>True</condensed><molecular_weight>0.8420819300000001</molecular_weight><hf298.15>-3574800.000</hf298.15><T_range Thigh="300.0" Tlow="200.0"><a1>-1.312654971e+05</a1><a2>0.000000000e+00</a2><a3>1.981648464e+01</a3><a4>3.463180280e-02</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-4.378350230e+05</b1><b2>-8.998750380e+01</b2></T_range><T_range Thigh="483.0" Tlow="300.0"><a1>-2.819324251e+06</a1><a2>0.000000000e+00</a2><a3>1.227600892e+02</a3><a4>-2.415563843e-01</a4><a5>0.000000000e+00</a5><a6>3.622285580e-07</a6><a7>0.000000000e+00</a7><b1>-4.659833440e+05</b1><b2>-6.124926920e+02</b2></T_range></specie><specie inp_file_name="U3O8(I)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Hexagonal. Gurvich,1982 pt1 p199 pt2 p222.</comment><reference>tpis82</reference><elements><element U="3" /><element O="8" /></elements><condensed>True</condensed><molecular_weight>0.8420819300000001</molecular_weight><hf298.15>-3574800.000</hf298.15><T_range Thigh="6000.0" Tlow="483.0"><a1>-5.848811295e+04</a1><a2>0.000000000e+00</a2><a3>2.988522475e+01</a3><a4>6.597141623e-03</a4><a5>-4.626851131e-07</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-4.394086740e+05</b1><b2>-1.388063306e+02</b2></T_range></specie><specie inp_file_name="U4O9(III)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Cubic. Gurvich,1982 pt1 p201 pt2 p223.</comment><reference>tpis82</reference><elements><element U="4" /><element O="9" /></elements><condensed>True</condensed><molecular_weight>1.09611024</molecular_weight><hf298.15>-4512000.000</hf298.15><T_range Thigh="348.0" Tlow="298.15"><a1>-1.274607283e+08</a1><a2>0.000000000e+00</a2><a3>6.797154853e+03</a3><a4>-2.205931654e+01</a4><a5>0.000000000e+00</a5><a6>4.712462238e-05</a6><a7>0.000000000e+00</a7><b1>-2.109373967e+06</b1><b2>-3.324352924e+04</b2></T_range></specie><specie inp_file_name="U4O9(II)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Cubic. Gurvich,1982 pt1 p201 pt2 p223.</comment><reference>tpis82</reference><elements><element U="4" /><element O="9" /></elements><condensed>True</condensed><molecular_weight>1.09611024</molecular_weight><hf298.15>-4512000.000</hf298.15><T_range Thigh="380.0" Tlow="348.0"><a1>6.572378889e+07</a1><a2>0.000000000e+00</a2><a3>-1.352246013e+03</a3><a4>2.459469770e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-3.013155679e+04</b1><b2>7.375484389e+03</b2></T_range><T_range Thigh="1398.0" Tlow="380.0"><a1>-7.968840016e+05</a1><a2>0.000000000e+00</a2><a3>4.574063896e+01</a3><a4>-1.083792070e-02</a4><a5>9.691491140e-06</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-5.582419360e+05</b1><b2>-2.211132773e+02</b2></T_range></specie><specie inp_file_name="U4O9(I)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1982 pt1 p201 pt2 p223.</comment><reference>tpis82</reference><elements><element U="4" /><element O="9" /></elements><condensed>True</condensed><molecular_weight>1.09611024</molecular_weight><hf298.15>-4512000.000</hf298.15><T_range Thigh="6000.0" Tlow="1398.0"><a1>-3.094590060e+05</a1><a2>0.000000000e+00</a2><a3>3.592971805e+01</a3><a4>1.009247689e-02</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-5.555228520e+05</b1><b2>-1.695188988e+02</b2></T_range></specie><specie inp_file_name="V(cr)"><identification><InChIKey>LEONUFNNVUYDNQ-UHFFFAOYSA-N</InChIKey><canonical_smiles>[V]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>vanadium</IUPAC_name></identification><comment>Crystal. Ref-Elm. Chase,1998 p1917.</comment><reference>j 6/73</reference><elements><element V="1" /></elements><condensed>True</condensed><molecular_weight>0.0509415</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="600.0" Tlow="200.0"><a1>2.845125913e+05</a1><a2>-5.094932860e+03</a2><a3>3.715018720e+01</a3><a4>-1.176030941e-01</a4><a5>2.255823526e-04</a5><a6>-2.260642686e-07</a6><a7>9.289596800e-11</a7><b1>2.254378204e+04</b1><b2>-1.968241679e+02</b2></T_range><T_range Thigh="1400.0" Tlow="600.0"><a1>1.372056465e+06</a1><a2>-7.847553620e+03</a2><a3>2.095142247e+01</a3><a4>-2.055640932e-02</a4><a5>1.323266530e-05</a5><a6>-4.042182900e-09</a6><a7>5.087521100e-13</a7><b1>4.374800000e+04</b1><b2>-1.292763446e+02</b2></T_range><T_range Thigh="2190.0" Tlow="1400.0"><a1>5.281067680e+08</a1><a2>-1.907420191e+06</a2><a3>2.862656637e+03</a3><a4>-2.277492896e+00</a4><a5>1.017078880e-03</a5><a6>-2.412149691e-07</a6><a7>2.377114537e-11</a7><b1>1.169890783e+07</b1><b2>-1.956716732e+04</b2></T_range></specie><specie inp_file_name="V(L)"><identification><InChIKey>LEONUFNNVUYDNQ-UHFFFAOYSA-N</InChIKey><canonical_smiles>[V]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>vanadium</IUPAC_name></identification><comment>Liquid. Ref-Elm. Chase,1998 p1917.</comment><reference>j 6/73</reference><elements><element V="1" /></elements><condensed>True</condensed><molecular_weight>0.0509415</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="6000.0" Tlow="2190.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>5.557032224e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.899700630e+03</b1><b2>-3.070532450e+01</b2></T_range></specie><specie inp_file_name="VCl2(cr)"><identification><InChIKey>ITAKKORXEUJTBC-UHFFFAOYSA-L</InChIKey><canonical_smiles>Cl[V]Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dichlorovanadium</IUPAC_name></identification><comment>Pankratz,1984.</comment><reference>g10/00</reference><elements><element V="1" /><element Cl="2" /></elements><condensed>True</condensed><molecular_weight>0.1218475</molecular_weight><hf298.15>-451872.000</hf298.15><T_range Thigh="1300.0" Tlow="298.0"><a1>-3.844575327e+04</a1><a2>0.000000000e+00</a2><a3>8.648281619e+00</a3><a4>1.435173931e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-5.711862150e+04</b1><b2>-3.824393774e+01</b2></T_range></specie><specie inp_file_name="VCl3(cr)"><identification><InChIKey>HQYCOEXWFMFWLR-UHFFFAOYSA-K</InChIKey><canonical_smiles>Cl[V](Cl)Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>trichlorovanadium</IUPAC_name></identification><comment>Pankratz,1984.</comment><reference>g 8/00</reference><elements><element V="1" /><element Cl="3" /></elements><condensed>True</condensed><molecular_weight>0.1573005</molecular_weight><hf298.15>-581115.760</hf298.15><T_range Thigh="1000.0" Tlow="298.0"><a1>-1.163436931e+05</a1><a2>0.000000000e+00</a2><a3>1.218941730e+01</a3><a4>1.091980165e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-7.396479110e+04</b1><b2>-5.467967609e+01</b2></T_range></specie><specie inp_file_name="VN(cr)"><identification><InChIKey>SKKMWRVAJNPLFY-UHFFFAOYSA-N</InChIKey><canonical_smiles>N#[V]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>azanylidynevanadium</IUPAC_name></identification><comment>Chase,1998 p1635.</comment><reference>j12/73</reference><elements><element V="1" /><element N="1" /></elements><condensed>True</condensed><molecular_weight>0.0649482</molecular_weight><hf298.15>-217150.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>2.091900078e+05</a1><a2>-3.051142421e+03</a2><a3>1.689002455e+01</a3><a4>-2.016563261e-02</a4><a5>2.024805796e-05</a5><a6>-9.052281300e-09</a6><a7>1.375923345e-12</a7><b1>-1.233229950e+04</b1><b2>-9.561817060e+01</b2></T_range><T_range Thigh="3500.0" Tlow="1000.0"><a1>8.212748990e+05</a1><a2>-2.203406736e+03</a2><a3>6.907596040e+00</a3><a4>1.164274622e-03</a4><a5>-3.307430080e-07</a5><a6>1.061954757e-10</a6><a7>-1.105176783e-14</a7><b1>-1.341131421e+04</b1><b2>-3.925480780e+01</b2></T_range></specie><specie inp_file_name="VO(cr)"><identification><InChIKey>IBYSTTGVDIFUAY-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[V]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>oxovanadium</IUPAC_name></identification><comment>Cubic Gurvich,1982 pt1 p60 pt2 p63.</comment><reference>tpis82</reference><elements><element V="1" /><element O="1" /></elements><condensed>True</condensed><molecular_weight>0.0669409</molecular_weight><hf298.15>-430800.000</hf298.15><T_range Thigh="500.0" Tlow="200.0"><a1>-2.040260824e+07</a1><a2>3.783102280e+05</a2><a3>-2.848005957e+03</a3><a4>1.118080448e+01</a4><a5>-2.407270159e-02</a5><a6>2.710471323e-05</a6><a7>-1.249526447e-08</a7><b1>-1.758506851e+06</b1><b2>1.490654242e+04</b2></T_range><T_range Thigh="2063.0" Tlow="500.0"><a1>-1.970015037e+05</a1><a2>0.000000000e+00</a2><a3>6.365723760e+00</a3><a4>1.576630310e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-5.444168120e+04</b1><b2>-3.381741570e+01</b2></T_range></specie><specie inp_file_name="VO(L)"><identification><InChIKey>IBYSTTGVDIFUAY-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[V]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>oxovanadium</IUPAC_name></identification><comment>Liquid Gurvich,1982 pt1 p60 pt2 p63.</comment><reference>tpis82</reference><elements><element V="1" /><element O="1" /></elements><condensed>True</condensed><molecular_weight>0.0669409</molecular_weight><hf298.15>-430800.000</hf298.15><T_range Thigh="6000.0" Tlow="2063.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>8.419016875e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-4.921350390e+04</b1><b2>-4.329727468e+01</b2></T_range></specie><specie inp_file_name="V2O3(cr)"><identification><InChIKey>KFAFTZQGYMGWLU-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[V]O[V]=O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>oxo(oxovanadiooxy)vanadium</IUPAC_name></identification><comment>Hexagonal. Gurvich,1982 pt1 p65 pt2 p67.</comment><reference>tpis82</reference><elements><element V="2" /><element O="3" /></elements><condensed>True</condensed><molecular_weight>0.14988120000000002</molecular_weight><hf298.15>-1216800.000</hf298.15><T_range Thigh="500.0" Tlow="200.0"><a1>-2.445935804e+07</a1><a2>4.555627240e+05</a2><a3>-3.448966200e+03</a3><a4>1.365879117e+01</a4><a5>-2.955666350e-02</a5><a6>3.340613030e-05</a6><a7>-1.544661718e-08</a7><b1>-2.200372063e+06</b1><b2>1.802928653e+04</b2></T_range><T_range Thigh="2230.0" Tlow="500.0"><a1>-4.148342860e+05</a1><a2>0.000000000e+00</a2><a3>1.735995875e+01</a3><a4>-2.248234102e-03</a4><a5>1.310940149e-06</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.528252156e+05</b1><b2>-8.926688900e+01</b2></T_range></specie><specie inp_file_name="V2O3(L)"><identification><InChIKey>KFAFTZQGYMGWLU-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[V]O[V]=O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>oxo(oxovanadiooxy)vanadium</IUPAC_name></identification><comment>Liquid. Gurvich,1982 pt1 p65 pt2 p67.</comment><reference>tpis82</reference><elements><element V="2" /><element O="3" /></elements><condensed>True</condensed><molecular_weight>0.14988120000000002</molecular_weight><hf298.15>-1216800.000</hf298.15><T_range Thigh="6000.0" Tlow="2230.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.924346714e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.407455834e+05</b1><b2>-9.794985841e+01</b2></T_range></specie><specie inp_file_name="V2O4(II)"><identification><InChIKey>TXPDKHYKECNNNH-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[V]1O[V](=O)O1</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>1,3-dioxa-2$l^{4},4$l^{4}-divanadacyclobutane 2,4-dioxide</IUPAC_name></identification><comment>Monoclinic. Gurvich,1982 pt1 p67 pt2 p68.</comment><reference>tpis82</reference><elements><element V="2" /><element O="4" /></elements><condensed>True</condensed><molecular_weight>0.1658806</molecular_weight><hf298.15>-1432600.000</hf298.15><T_range Thigh="338.7" Tlow="200.0"><a1>-4.872822280e+05</a1><a2>0.000000000e+00</a2><a3>4.755837160e+01</a3><a4>-1.909710602e-01</a4><a5>3.188918050e-04</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.824442970e+05</b1><b2>-2.197380006e+02</b2></T_range></specie><specie inp_file_name="V2O4(I)"><identification><InChIKey>TXPDKHYKECNNNH-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[V]1O[V](=O)O1</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>1,3-dioxa-2$l^{4},4$l^{4}-divanadacyclobutane 2,4-dioxide</IUPAC_name></identification><comment>Tetragonal. Gurvich,1982 pt1 p67 pt2 p68.</comment><reference>tpis82</reference><elements><element V="2" /><element O="4" /></elements><condensed>True</condensed><molecular_weight>0.1658806</molecular_weight><hf298.15>-1432600.000</hf298.15><T_range Thigh="1818.0" Tlow="338.7"><a1>-3.456246971e+05</a1><a2>0.000000000e+00</a2><a3>1.740258897e+01</a3><a4>2.292498295e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.776670154e+05</b1><b2>-8.737764367e+01</b2></T_range></specie><specie inp_file_name="V2O4(L)"><identification><InChIKey>TXPDKHYKECNNNH-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[V]1O[V](=O)O1</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>1,3-dioxa-2$l^{4},4$l^{4}-divanadacyclobutane 2,4-dioxide</IUPAC_name></identification><comment>Liquid. Gurvich,1982 pt1 p67 pt2 p68.</comment><reference>tpis82</reference><elements><element V="2" /><element O="4" /></elements><condensed>True</condensed><molecular_weight>0.1658806</molecular_weight><hf298.15>-1432600.000</hf298.15><T_range Thigh="6000.0" Tlow="1818.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.164890054e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.679377747e+05</b1><b2>-1.076187785e+02</b2></T_range></specie><specie inp_file_name="V2O5(cr)"><identification><InChIKey>GNTDGMZSJNCJKK-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[V](=O)O[V](=O)=O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dioxovanadiooxy(dioxo)vanadium</IUPAC_name></identification><comment>Rhombic. Gurvich,1982 pt1 p68 pt2 p69.</comment><reference>tpis82</reference><elements><element V="2" /><element O="5" /></elements><condensed>True</condensed><molecular_weight>0.18188</molecular_weight><hf298.15>-1551000.000</hf298.15><T_range Thigh="500.0" Tlow="200.0"><a1>-1.149585895e+07</a1><a2>2.200852292e+05</a2><a3>-1.711429444e+03</a3><a4>6.997610220e+00</a4><a5>-1.543892990e-02</a5><a6>1.771425949e-05</a6><a7>-8.283987620e-09</a7><b1>-1.174509299e+06</b1><b2>8.899979010e+03</b2></T_range><T_range Thigh="954.0" Tlow="500.0"><a1>-4.708328420e+05</a1><a2>0.000000000e+00</a2><a3>2.297387367e+01</a3><a4>-1.118831481e-02</a4><a5>1.146815480e-05</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.945738450e+05</b1><b2>-1.150219507e+02</b2></T_range></specie><specie inp_file_name="V2O5(L)"><identification><InChIKey>GNTDGMZSJNCJKK-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[V](=O)O[V](=O)=O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dioxovanadiooxy(dioxo)vanadium</IUPAC_name></identification><comment>Liquid. Gurvich,1982 pt1 p68 pt2 p69.</comment><reference>tpis82</reference><elements><element V="2" /><element O="5" /></elements><condensed>True</condensed><molecular_weight>0.18188</molecular_weight><hf298.15>-1551000.000</hf298.15><T_range Thigh="6000.0" Tlow="954.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.285161723e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.880385445e+05</b1><b2>-1.113109611e+02</b2></T_range></specie><specie inp_file_name="W(cr)"><identification><InChIKey>WFKWXMTUELFFGS-UHFFFAOYSA-N</InChIKey><canonical_smiles>[W]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>tungsten</IUPAC_name></identification><comment>Crystal. Ref-Elm. Chase,1998 pp1925-8.</comment><reference>j 6/66</reference><elements><element W="1" /></elements><condensed>True</condensed><molecular_weight>0.18384</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="1000.0" Tlow="200.0"><a1>-6.824541400e+03</a1><a2>-2.254249090e+02</a2><a3>4.976604610e+00</a3><a4>-6.926436340e-03</a4><a5>1.202272986e-05</a5><a6>-9.344133510e-09</a6><a7>2.818887123e-12</a7><b1>-3.510679270e+00</b1><b2>-2.361334984e+01</b2></T_range><T_range Thigh="2600.0" Tlow="1000.0"><a1>5.530134840e+05</a1><a2>-2.041485344e+03</a2><a3>5.870839470e+00</a3><a4>-1.920714198e-03</a4><a5>1.067652983e-06</a5><a6>-2.355109022e-10</a6><a7>2.160679310e-14</a7><b1>1.163812518e+04</b1><b2>-3.319171800e+01</b2></T_range><T_range Thigh="3200.0" Tlow="2600.0"><a1>2.474736879e+09</a1><a2>4.488921620e+06</a2><a3>-1.235978300e+04</a3><a4>9.678565660e+00</a4><a5>-3.556364610e-03</a5><a6>6.380420610e-07</a6><a7>-4.521123450e-11</a7><b1>-2.029500909e+07</b1><b2>8.274369690e+04</b2></T_range><T_range Thigh="3680.0" Tlow="3200.0"><a1>-1.755550399e+10</a1><a2>1.179059156e+07</a2><a3>1.177715365e+03</a3><a4>-2.675166841e+00</a4><a5>7.252172480e-04</a5><a6>-6.128007580e-08</a6><a7>0.000000000e+00</a7><b1>-9.702249190e+07</b1><b2>-1.148926234e+03</b2></T_range></specie><specie inp_file_name="W(L)"><identification><InChIKey>WFKWXMTUELFFGS-UHFFFAOYSA-N</InChIKey><canonical_smiles>[W]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>tungsten</IUPAC_name></identification><comment>Liquid. Ref-Elm. Chase,1998 pp1925-8.</comment><reference>j 6/66</reference><elements><element W="1" /></elements><condensed>True</condensed><molecular_weight>0.18384</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="6000.0" Tlow="3680.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>4.277341659e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>2.755443078e+03</b1><b2>-2.086449853e+01</b2></T_range></specie><specie inp_file_name="WC(cr)"><identification><InChIKey>OAXLZNWUNMCZSO-UHFFFAOYSA-N</InChIKey><canonical_smiles>[C-]#[W]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>methanidylidynetungsten</IUPAC_name></identification><comment>Hf:Wagman,1982 p203. Barin,1989 pt2 p1642.</comment><reference>bar 89</reference><elements><element W="1" /><element C="1" /></elements><condensed>True</condensed><molecular_weight>0.1958507</molecular_weight><hf298.15>-40540.000</hf298.15><T_range Thigh="2500.0" Tlow="298.15"><a1>-1.119754391e+05</a1><a2>-5.553268210e-01</a2><a3>5.217965240e+00</a3><a4>1.037888263e-03</a4><a5>-1.229060652e-07</a5><a6>2.880427321e-13</a6><a7>-7.236307119e-17</a7><b1>-6.848998700e+03</b1><b2>-2.677066218e+01</b2></T_range></specie><specie inp_file_name="WCl6(I)"><identification><InChIKey>KPGXUAIFQMJJFB-UHFFFAOYSA-H</InChIKey><canonical_smiles>Cl[W](Cl)(Cl)(Cl)(Cl)Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>hexachlorotungsten</IUPAC_name></identification><comment>Alpha1. Chase,1998 pp931-4.</comment><reference>j12/66</reference><elements><element W="1" /><element Cl="6" /></elements><condensed>True</condensed><molecular_weight>0.39655799999999997</molecular_weight><hf298.15>-593710.000</hf298.15><T_range Thigh="450.0" Tlow="298.15"><a1>1.661826519e+02</a1><a2>0.000000000e+00</a2><a3>1.508873100e+01</a3><a4>2.015651227e-02</a4><a5>-2.754798370e-08</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-7.680028810e+04</b1><b2>-6.329365920e+01</b2></T_range></specie><specie inp_file_name="WCl6(II)"><identification><InChIKey>KPGXUAIFQMJJFB-UHFFFAOYSA-H</InChIKey><canonical_smiles>Cl[W](Cl)(Cl)(Cl)(Cl)Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>hexachlorotungsten</IUPAC_name></identification><comment>Alpha2. Chase,1998 pp931-4.</comment><reference>j12/66</reference><elements><element W="1" /><element Cl="6" /></elements><condensed>True</condensed><molecular_weight>0.39655799999999997</molecular_weight><hf298.15>-593710.000</hf298.15><T_range Thigh="503.0" Tlow="450.0"><a1>-9.897046360e+03</a1><a2>0.000000000e+00</a2><a3>1.522857952e+01</a3><a4>1.994376611e-02</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-7.636166220e+04</b1><b2>-6.296167010e+01</b2></T_range></specie><specie inp_file_name="WCl6(III)"><identification><InChIKey>KPGXUAIFQMJJFB-UHFFFAOYSA-H</InChIKey><canonical_smiles>Cl[W](Cl)(Cl)(Cl)(Cl)Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>hexachlorotungsten</IUPAC_name></identification><comment>Beta. Chase,1998 pp931-4.</comment><reference>j12/66</reference><elements><element W="1" /><element Cl="6" /></elements><condensed>True</condensed><molecular_weight>0.39655799999999997</molecular_weight><hf298.15>-593710.000</hf298.15><T_range Thigh="555.0" Tlow="503.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.264474996e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-7.565217840e+04</b1><b2>-9.527165358e+01</b2></T_range></specie><specie inp_file_name="WCl6(L)"><identification><InChIKey>KPGXUAIFQMJJFB-UHFFFAOYSA-H</InChIKey><canonical_smiles>Cl[W](Cl)(Cl)(Cl)(Cl)Cl</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>hexachlorotungsten</IUPAC_name></identification><comment>Liquid. Chase,1998 pp931-4.</comment><reference>j12/66</reference><elements><element W="1" /><element Cl="6" /></elements><condensed>True</condensed><molecular_weight>0.39655799999999997</molecular_weight><hf298.15>-593710.000</hf298.15><T_range Thigh="6000.0" Tlow="555.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.415439996e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-7.568493560e+04</b1><b2>-1.033604557e+02</b2></T_range></specie><specie inp_file_name="WOCl4(cr)"><identification><InChIKey>HVKUASLEFSCIMW-UHFFFAOYSA-J</InChIKey><canonical_smiles>[O-2].[Cl-].[Cl-].[Cl-].[Cl-].[W]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>oxygen(2-);tungsten;tetrachloride</IUPAC_name></identification><comment>Crystal. Chase,1998 pp897-9.</comment><reference>j 3/67</reference><elements><element W="1" /><element O="1" /><element Cl="4" /></elements><condensed>True</condensed><molecular_weight>0.34165140000000005</molecular_weight><hf298.15>-671114.000</hf298.15><T_range Thigh="484.0" Tlow="298.15"><a1>1.295153216e+03</a1><a2>0.000000000e+00</a2><a3>1.378522135e+01</a3><a4>1.276179773e-02</a4><a5>-1.713279395e-07</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-8.538742740e+04</b1><b2>-6.154983780e+01</b2></T_range></specie><specie inp_file_name="WOCl4(L)"><identification><InChIKey>HVKUASLEFSCIMW-UHFFFAOYSA-J</InChIKey><canonical_smiles>[O-2].[Cl-].[Cl-].[Cl-].[Cl-].[W]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>oxygen(2-);tungsten;tetrachloride</IUPAC_name></identification><comment>Liquid. Chase,1998 pp897-9.</comment><reference>j 3/67</reference><elements><element W="1" /><element O="1" /><element Cl="4" /></elements><condensed>True</condensed><molecular_weight>0.34165140000000005</molecular_weight><hf298.15>-671114.000</hf298.15><T_range Thigh="6000.0" Tlow="484.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>2.188992496e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-8.236656270e+04</b1><b2>-9.422321377e+01</b2></T_range></specie><specie inp_file_name="WO2(cr)"><identification><InChIKey>DZKDPOPGYFUOGI-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[W]=O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dioxotungsten</IUPAC_name></identification><comment>Gurvich,1982 pt1 p46 pt2 p49.</comment><reference>tpis82</reference><elements><element W="1" /><element O="2" /></elements><condensed>True</condensed><molecular_weight>0.2158388</molecular_weight><hf298.15>-588100.000</hf298.15><T_range Thigh="298.15" Tlow="100.0"><a1>-1.733842408e+04</a1><a2>0.000000000e+00</a2><a3>2.558979845e+00</a3><a4>1.457260175e-02</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-7.220058630e+04</b1><b2>-1.293182268e+01</b2></T_range><T_range Thigh="6000.0" Tlow="298.15"><a1>-1.555714047e+05</a1><a2>0.000000000e+00</a2><a3>7.983272616e+00</a3><a4>1.595163155e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-7.370467050e+04</b1><b2>-4.074555290e+01</b2></T_range></specie><specie inp_file_name="WO2Cl2(cr)"><identification><InChIKey>DVBXMVWZPVBSJY-UHFFFAOYSA-L</InChIKey><canonical_smiles>[O-2].[O-2].[Cl-].[Cl-].[W]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>oxygen(2-);tungsten;dichloride</IUPAC_name></identification><comment>Chase,1998 p848.</comment><reference>j 3/67</reference><elements><element W="1" /><element O="2" /><element Cl="2" /></elements><condensed>True</condensed><molecular_weight>0.2867448</molecular_weight><hf298.15>-780316.000</hf298.15><T_range Thigh="1000.0" Tlow="298.15"><a1>-3.819410020e+05</a1><a2>2.367029691e+03</a2><a3>9.834455770e+00</a3><a4>-2.508443012e-02</a4><a5>1.017169638e-04</a5><a6>-1.040117941e-07</a6><a7>3.468311980e-11</a7><b1>-1.111440350e+05</b1><b2>-2.227929881e+01</b2></T_range></specie><specie inp_file_name="WO3(III)"><identification><InChIKey>ZNOKGRXACCSDPY-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[W](=O)=O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>trioxotungsten</IUPAC_name></identification><comment>Gurvich,1982 pt1 p49 pt2 p51.</comment><reference>tpis82</reference><elements><element W="1" /><element O="3" /></elements><condensed>True</condensed><molecular_weight>0.2318382</molecular_weight><hf298.15>-841300.000</hf298.15><T_range Thigh="325.0" Tlow="100.0"><a1>-2.841140443e+05</a1><a2>7.257714840e+03</a2><a3>-6.708405120e+01</a3><a4>3.092936300e-01</a4><a5>-4.127635650e-04</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.335884160e+05</b1><b2>3.409113710e+02</b2></T_range></specie><specie inp_file_name="WO3(III,II)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Gurvich,1982 pt1 p49 pt2 p51.</comment><reference>tpis82</reference><elements><element W="1" /><element O="3" /></elements><condensed>True</condensed><molecular_weight>0.2318382</molecular_weight><hf298.15>-841300.000</hf298.15><T_range Thigh="1013.0" Tlow="325.0"><a1>-5.186114395e+04</a1><a2>0.000000000e+00</a2><a3>8.548308920e+00</a3><a4>4.317151582e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.040935177e+05</b1><b2>-4.044670662e+01</b2></T_range></specie><specie inp_file_name="WO3(I)"><identification><InChIKey>ZNOKGRXACCSDPY-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[W](=O)=O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>trioxotungsten</IUPAC_name></identification><comment>Gurvich,1982 pt1 p49 pt2 p51.</comment><reference>tpis82</reference><elements><element W="1" /><element O="3" /></elements><condensed>True</condensed><molecular_weight>0.2318382</molecular_weight><hf298.15>-841300.000</hf298.15><T_range Thigh="1747.0" Tlow="1013.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>9.737555190e+00</a3><a4>1.958624140e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.039166330e+05</b1><b2>-4.614390358e+01</b2></T_range></specie><specie inp_file_name="WO3(L)"><identification><InChIKey>ZNOKGRXACCSDPY-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[W](=O)=O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>trioxotungsten</IUPAC_name></identification><comment>Liquid. Gurvich,1982 pt1 p49 pt2 p51.</comment><reference>tpis82</reference><elements><element W="1" /><element O="3" /></elements><condensed>True</condensed><molecular_weight>0.2318382</molecular_weight><hf298.15>-841300.000</hf298.15><T_range Thigh="6000.0" Tlow="1747.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.551504538e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.022412072e+05</b1><b2>-8.082927535e+01</b2></T_range></specie><specie inp_file_name="Zn(cr)"><identification><InChIKey>HCHKCACWOHOZIP-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Zn]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>zinc</IUPAC_name></identification><comment>Crystal. Ref-Elm. Cox,1989 p221.</comment><reference>coda89</reference><elements><element Zn="1" /></elements><condensed>True</condensed><molecular_weight>0.06539</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="692.73" Tlow="200.0"><a1>3.702080380e+05</a1><a2>-5.915475500e+03</a2><a3>3.959500360e+01</a3><a4>-1.143735885e-01</a4><a5>1.934363797e-04</a5><a6>-1.675385126e-07</a6><a7>6.078189940e-11</a7><b1>2.681737238e+04</b1><b2>-2.114848186e+02</b2></T_range></specie><specie inp_file_name="Zn(L)"><identification><InChIKey>HCHKCACWOHOZIP-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Zn]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>zinc</IUPAC_name></identification><comment>Liquid. Ref-Elm. Cox,1989 p221.</comment><reference>coda89</reference><elements><element Zn="1" /></elements><condensed>True</condensed><molecular_weight>0.06539</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="6000.0" Tlow="692.73"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>3.776530427e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-4.317345880e+02</b1><b2>-1.567077937e+01</b2></T_range></specie><specie inp_file_name="ZnSO4(a)"><identification><InChIKey>NWONKYPBYAMBJT-UHFFFAOYSA-L</InChIKey><canonical_smiles>[O-]S(=O)(=O)[O-].[Zn+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>zinc;sulfate</IUPAC_name></identification><comment>Alpha. Chase,1998 p1788.</comment><reference>j 3/79</reference><elements><element Zn="1" /><element S="1" /><element O="4" /></elements><condensed>True</condensed><molecular_weight>0.1614526</molecular_weight><hf298.15>-980143.840</hf298.15><T_range Thigh="540.0" Tlow="200.0"><a1>4.103530390e+05</a1><a2>-7.357987120e+03</a2><a3>5.215317850e+01</a3><a4>-1.152180317e-01</a4><a5>1.922132213e-04</a5><a6>-1.099361720e-07</a6><a7>0.000000000e+00</a7><b1>-8.649370210e+04</b1><b2>-2.794432413e+02</b2></T_range></specie><specie inp_file_name="ZnSO4(a')"><identification><InChIKey>NWONKYPBYAMBJT-UHFFFAOYSA-L</InChIKey><canonical_smiles>[O-]S(=O)(=O)[O-].[Zn+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>zinc;sulfate</IUPAC_name></identification><comment>Alpha'.Chase,1998 p1788.</comment><reference>j 3/79</reference><elements><element Zn="1" /><element S="1" /><element O="4" /></elements><condensed>True</condensed><molecular_weight>0.1614526</molecular_weight><hf298.15>-980143.840</hf298.15><T_range Thigh="1013.0" Tlow="540.0"><a1>-3.253792010e+06</a1><a2>3.252313710e+04</a2><a3>-1.146490609e+02</a3><a4>2.718567520e-01</a4><a5>-3.079986965e-04</a5><a6>1.830520033e-07</a6><a7>-4.445112450e-11</a7><b1>-2.895173465e+05</b1><b2>6.881710230e+02</b2></T_range></specie><specie inp_file_name="ZnSO4(b)"><identification><InChIKey>NWONKYPBYAMBJT-UHFFFAOYSA-L</InChIKey><canonical_smiles>[O-]S(=O)(=O)[O-].[Zn+2]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>zinc;sulfate</IUPAC_name></identification><comment>Beta. Chase,1998 p1788.</comment><reference>j 3/79</reference><elements><element Zn="1" /><element S="1" /><element O="4" /></elements><condensed>True</condensed><molecular_weight>0.1614526</molecular_weight><hf298.15>-980143.840</hf298.15><T_range Thigh="6000.0" Tlow="1013.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.746161830e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.211366813e+05</b1><b2>-8.514209609e+01</b2></T_range></specie><specie inp_file_name="Zr(a)"><identification><InChIKey>QCWXUUIWCKQGHC-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Zr]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>zirconium</IUPAC_name></identification><comment>Alpha. Ref-Elm. Chase,1998 pp1943-7.</comment><reference>j 6/79</reference><elements><element Zr="1" /></elements><condensed>True</condensed><molecular_weight>0.091224</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="1135.0" Tlow="200.0"><a1>-1.153699220e+04</a1><a2>2.626203401e+01</a2><a3>2.932054698e+00</a3><a4>5.743358570e-04</a4><a5>-7.651710410e-07</a5><a6>1.597202829e-09</a6><a7>-6.097129620e-13</a7><b1>-1.084153260e+03</b1><b2>-1.215776960e+01</b2></T_range></specie><specie inp_file_name="Zr(b)"><identification><InChIKey>QCWXUUIWCKQGHC-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Zr]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>zirconium</IUPAC_name></identification><comment>Beta. Ref-Elm. Chase,1998 pp1943-7.</comment><reference>j 6/79</reference><elements><element Zr="1" /></elements><condensed>True</condensed><molecular_weight>0.091224</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="2125.0" Tlow="1135.0"><a1>-1.065463955e+06</a1><a2>4.273000010e+03</a2><a3>-3.173856480e+00</a3><a4>5.018842560e-03</a4><a5>-2.363431747e-06</a5><a6>7.707582390e-10</a6><a7>-8.156156570e-14</a7><b1>-2.641247444e+04</b1><b2>3.072041827e+01</b2></T_range></specie><specie inp_file_name="Zr(L)"><identification><InChIKey>QCWXUUIWCKQGHC-UHFFFAOYSA-N</InChIKey><canonical_smiles>[Zr]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>zirconium</IUPAC_name></identification><comment>Liquid. Ref-Elm. Chase,1998 pp1943-7.</comment><reference>j 6/79</reference><elements><element Zr="1" /></elements><condensed>True</condensed><molecular_weight>0.091224</molecular_weight><hf298.15>0.000</hf298.15><T_range Thigh="6000.0" Tlow="2125.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>5.032166658e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.100795852e+03</b1><b2>-2.548066000e+01</b2></T_range></specie><specie inp_file_name="ZrC(cr)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Crystal. Chase,1998 pp658-60.</comment><reference>j12/64</reference><elements><element Zr="1" /><element C="1" /></elements><condensed>True</condensed><molecular_weight>0.1032347</molecular_weight><hf298.15>-196648.000</hf298.15><T_range Thigh="800.0" Tlow="200.0"><a1>-1.329596558e+05</a1><a2>1.766908163e+03</a2><a3>-9.907099000e+00</a3><a4>5.427909170e-02</a4><a5>-8.887722520e-05</a5><a6>7.332246190e-08</a6><a7>-2.420411623e-11</a7><b1>-3.297124410e+04</b1><b2>5.279964170e+01</b2></T_range><T_range Thigh="3805.0" Tlow="800.0"><a1>8.297591180e+05</a1><a2>-4.224196050e+03</a2><a3>1.308509211e+01</a3><a4>-5.018095870e-03</a4><a5>2.155019459e-06</a5><a6>-4.233046770e-10</a6><a7>3.266859200e-14</a7><b1>-7.112782350e+02</b1><b2>-7.921945570e+01</b2></T_range></specie><specie inp_file_name="ZrC(L)"><identification><InChIKey>N/A</InChIKey><canonical_smiles>N/A</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>N/A</IUPAC_name></identification><comment>Liquid. Chase,1998 pp658-60.</comment><reference>j12/64</reference><elements><element Zr="1" /><element C="1" /></elements><condensed>True</condensed><molecular_weight>0.1032347</molecular_weight><hf298.15>-196648.000</hf298.15><T_range Thigh="6000.0" Tlow="3805.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>7.548249987e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.885005134e+04</b1><b2>-3.953387107e+01</b2></T_range></specie><specie inp_file_name="ZrN(cr)"><identification><InChIKey>ZVWKZXLXHLZXLS-UHFFFAOYSA-N</InChIKey><canonical_smiles>N#[Zr]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>azanylidynezirconium</IUPAC_name></identification><comment>Chase,1998 pp1617-9 6/61.</comment><reference>g11/00</reference><elements><element Zr="1" /><element N="1" /></elements><condensed>True</condensed><molecular_weight>0.1052307</molecular_weight><hf298.15>-371238.000</hf298.15><T_range Thigh="800.0" Tlow="200.0"><a1>2.548624207e+05</a1><a2>-4.476456170e+03</a2><a3>2.958601499e+01</a3><a4>-6.635810940e-02</a4><a5>1.033814686e-04</a5><a6>-8.272994600e-08</a6><a7>2.689947231e-11</a7><b1>-2.492379728e+04</b1><b2>-1.616084405e+02</b2></T_range><T_range Thigh="3225.0" Tlow="800.0"><a1>2.174089790e+05</a1><a2>-1.074470994e+03</a2><a3>7.053124150e+00</a3><a4>-1.447713245e-04</a4><a5>3.458043010e-07</a5><a6>-5.893486000e-11</a6><a7>3.787112980e-15</a7><b1>-3.999164210e+04</b1><b2>-3.811591880e+01</b2></T_range></specie><specie inp_file_name="ZrN(L)"><identification><InChIKey>ZVWKZXLXHLZXLS-UHFFFAOYSA-N</InChIKey><canonical_smiles>N#[Zr]</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>azanylidynezirconium</IUPAC_name></identification><comment>Chase,1998 pp1617-9 6/61.</comment><reference>g11/00</reference><elements><element Zr="1" /><element N="1" /></elements><condensed>True</condensed><molecular_weight>0.1052307</molecular_weight><hf298.15>-371238.000</hf298.15><T_range Thigh="6000.0" Tlow="3225.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>7.045033321e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-3.882762780e+04</b1><b2>-3.444078302e+01</b2></T_range></specie><specie inp_file_name="ZrO2(III)"><identification><InChIKey>MCMNRKCIXSYSNV-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[Zr]=O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dioxozirconium</IUPAC_name></identification><comment>Monoclinic. Gurvich,1982 pt1 p123 pt2 p122.</comment><reference>tpis82</reference><elements><element Zr="1" /><element O="2" /></elements><condensed>True</condensed><molecular_weight>0.12322280000000001</molecular_weight><hf298.15>-1100300.000</hf298.15><T_range Thigh="500.0" Tlow="200.0"><a1>-4.214621830e+06</a1><a2>7.918732350e+04</a2><a3>-6.071267910e+02</a3><a4>2.463358622e+00</a4><a5>-5.388665930e-03</a5><a6>6.144154000e-06</a6><a7>-2.860860736e-09</a7><b1>-4.893051030e+05</b1><b2>3.163542730e+03</b2></T_range><T_range Thigh="1445.0" Tlow="500.0"><a1>-1.616911113e+05</a1><a2>0.000000000e+00</a2><a3>8.218464380e+00</a3><a4>1.091902502e-03</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.353760676e+05</b1><b2>-4.200007680e+01</b2></T_range></specie><specie inp_file_name="ZrO2(II)"><identification><InChIKey>MCMNRKCIXSYSNV-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[Zr]=O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dioxozirconium</IUPAC_name></identification><comment>Tetragonal. Gurvich,1982 pt1 p123 pt2 p122.</comment><reference>tpis82</reference><elements><element Zr="1" /><element O="2" /></elements><condensed>True</condensed><molecular_weight>0.12322280000000001</molecular_weight><hf298.15>-1100300.000</hf298.15><T_range Thigh="2620.0" Tlow="1445.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>9.393217399e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.348114469e+05</b1><b2>-4.823174581e+01</b2></T_range></specie><specie inp_file_name="ZrO2(I)"><identification><InChIKey>MCMNRKCIXSYSNV-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[Zr]=O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dioxozirconium</IUPAC_name></identification><comment>Cubic. Gurvich,1982 pt1 p123 pt2 p122.</comment><reference>tpis82</reference><elements><element Zr="1" /><element O="2" /></elements><condensed>True</condensed><molecular_weight>0.12322280000000001</molecular_weight><hf298.15>-1100300.000</hf298.15><T_range Thigh="2983.0" Tlow="2620.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>9.621733572e+00</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.338466275e+05</b1><b2>-4.943361269e+01</b2></T_range></specie><specie inp_file_name="ZrO2(L)"><identification><InChIKey>MCMNRKCIXSYSNV-UHFFFAOYSA-N</InChIKey><canonical_smiles>O=[Zr]=O</canonical_smiles><cas_number>N/A</cas_number><IUPAC_name>dioxozirconium</IUPAC_name></identification><comment>Liquid. Gurvich,1982 pt1 p123 pt2 p122.</comment><reference>tpis82</reference><elements><element Zr="1" /><element O="2" /></elements><condensed>True</condensed><molecular_weight>0.12322280000000001</molecular_weight><hf298.15>-1100300.000</hf298.15><T_range Thigh="6000.0" Tlow="2983.0"><a1>0.000000000e+00</a1><a2>0.000000000e+00</a2><a3>1.202716696e+01</a3><a4>0.000000000e+00</a4><a5>0.000000000e+00</a5><a6>0.000000000e+00</a6><a7>0.000000000e+00</a7><b1>-1.301975851e+05</b1><b2>-6.505001424e+01</b2></T_range></specie></data> |