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Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
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You are here: Experimental > One molecule all properties |
INChI | INChIKey | SMILES | IUPAC name |
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InChI=1S/Ca.H2O/h;1H2/q+1;/p-1 | KIZFHUJKFSNWKO-UHFFFAOYSA-M | [Ca]O |
State | Conformation |
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2Σ+ | C*V |
Property | Value | Uncertainty | units | Reference | Comment |
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Hfg(298.15K) ![]() |
-173.26 | 15.00 | kJ mol-1 | Gurvich | |
Hfg(0K) ![]() |
-170.00 | 15.00 | kJ mol-1 | Gurvich |