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Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
You are here: Experimental > One molecule all properties |
Other names |
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Fluoromethylene; |
INChI | INChIKey | SMILES | IUPAC name |
---|---|---|---|
InChI=1S/CHF/c1-2/h1H | YUCFVHQCAFKDQG-UHFFFAOYSA-N | [CH]F |
State | Conformation |
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1A' | CS |
Property | Value | Uncertainty | units | Reference | Comment |
---|---|---|---|---|---|
Hfg(298.15K) ![]() |
105.29 | 25.00 | kJ mol-1 | Gurvich | |
Hfg(0K) ![]() |
105.00 | 25.00 | kJ mol-1 | Gurvich | |
Entropy (298.15K) ![]() |
234.87 | J K-1 mol-1 | Gurvich | ||
Integrated Heat Capacity (0 to 298.15K) ![]() |
9.98 | kJ mol-1 | Gurvich | ||
Heat Capacity (298.15K) ![]() |
34.60 | J K-1 mol-1 | Gurvich |
Mode Number | Symmetry | Frequency | Intensity | Comment | Description | ||||
---|---|---|---|---|---|---|---|---|---|
Fundamental(cm-1) | Harmonic(cm-1) | Reference | (km mol-1) | unc. | Reference | ||||
1 | A' | 2643 | VEEL5 | ||||||
2 | A' | 1403 | VEEL5 | ||||||
3 | A' | 1189 | VEEL5 |