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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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Arcton 0; Carbon fluoride; Carbon fluoride (CF4); Carbon tetrafluoride; F 14; FC 14; Freon 14; Halocarbon 14; Halon 14; Methane, tetrafluoro-; Perfluoromethane; R 14; Refrigerant 14; Tetrafluoromethane; |
INChI | INChIKey | SMILES | IUPAC name |
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InChI=1S/CF4/c2-1(3,4)5 | TXEYQDLBPFQVAA-UHFFFAOYSA-N | FC(F)(F)F | Perfluoromethane |
State | Conformation |
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1A1 | TD |
Property | Value | Uncertainty | units | Reference | Comment |
---|---|---|---|---|---|
Hfg(298.15K) ![]() |
-933.20 | 0.75 | kJ mol-1 | Gurvich | |
Hfg(0K) ![]() |
-927.23 | 0.75 | kJ mol-1 | Gurvich | |
Entropy (298.15K) ![]() |
261.45 | J K-1 mol-1 | Gurvich | ||
Integrated Heat Capacity (0 to 298.15K) ![]() |
12.73 | kJ mol-1 | Gurvich | ||
Heat Capacity (298.15K) ![]() |
61.05 | 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 | A1 | 909 | 1978Jon/Ken:833 | sym stretch | |||||
2 | E | 435 | 1978Jon/Ken:833 | deg. deform | |||||
3 | T2 | 1283 | 1978Jon/Ken:833 | 1080.0 | 177.0 | 1977New/Lev:3282 | deg. stretch | ||
4 | T2 | 631 | 1978Jon/Ken:833 | 11.7 | 2.2 | 1977New/Lev:3282 | deg. deform |