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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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propen-2-ol; 1-propen-2-ol; 2-Hydroxypropene; Isopropenyl alcohol; |
INChI | INChIKey | SMILES | IUPAC name |
---|---|---|---|
InChI=1S/C3H6O/c1-3(2)4/h4H,1H2,2H3 | NARVIWMVBMUEOG-UHFFFAOYSA-N | CC(O)=C |
State | Conformation |
---|---|
1A' | CS |
Property | Value | Uncertainty | units | Reference | Comment |
---|---|---|---|---|---|
Hfg(298.15K) ![]() |
-38.00 | kJ mol-1 | 1982Hol/Los:2648 | ||
Hfg(0K) ![]() |
kJ mol-1 | 1982Hol/Los:2648 |
Mode Number | Symmetry | Frequency | Intensity | Comment | Description | ||||
---|---|---|---|---|---|---|---|---|---|
Fundamental(cm-1) | Harmonic(cm-1) | Reference | (km mol-1) | unc. | Reference |