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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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Methyl, fluoro-; Methyl radical, fluoro-; |
INChI | INChIKey | SMILES | IUPAC name |
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InChI=1S/CH2F/c1-2/h1H2 | VUWZPRWSIVNGKG-UHFFFAOYSA-N | [CH2]F |
State | Conformation |
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2A | CS |
Property | Value | Uncertainty | units | Reference | Comment |
---|---|---|---|---|---|
Hfg(298.15K) ![]() |
-30.39 | 0.50 | kJ mol-1 | 2018Gan/Kal:5993-6006 | |
Hfg(0K) ![]() |
0.50 | kJ mol-1 | 2018Gan/Kal:5993-6006 |
Mode Number | Symmetry | Frequency | Intensity | Comment | Description | ||||
---|---|---|---|---|---|---|---|---|---|
Fundamental(cm-1) | Harmonic(cm-1) | Reference | (km mol-1) | unc. | Reference | ||||
1 | A1 | 3044 | webbook | ||||||
3 | A1 | 1170 | |||||||
4 | B1 | 300 | |||||||
5 | B2 | 3184 |
A | B | C | reference | comment |
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Product of moments of inertia ![]() | ||||
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amu3Å6 | 0 | gm3 cm6 |
Point Group Cs
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