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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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Phosphino; Phosphino radical; |
INChI | INChIKey | SMILES | IUPAC name |
---|---|---|---|
InChI=1S/H2P/h1H2 | FVZVCSNXTFCBQU-UHFFFAOYSA-N | [PH2] |
State | Conformation |
---|---|
2B1 | C2V |
Property | Value | Uncertainty | units | Reference | Comment |
---|---|---|---|---|---|
Hfg(298.15K) ![]() |
119.55 | 6.20 | kJ mol-1 | Gurvich | |
Hfg(0K) ![]() |
123.40 | 6.20 | kJ mol-1 | Gurvich | |
Entropy (298.15K) ![]() |
212.61 | J K-1 mol-1 | Gurvich | ||
Integrated Heat Capacity (0 to 298.15K) ![]() |
9.98 | kJ mol-1 | Gurvich | ||
Heat Capacity (298.15K) ![]() |
34.45 | 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 | 2310 | webbook | ||||||
2 | A1 | 1102 | 1998Gup/Pra:1607 |
A | B | C | reference | comment |
---|---|---|---|---|
9.12000 | 8.08700 | 4.22500 | 1966Herzberg |
Product of moments of inertia ![]() | ||||
---|---|---|---|---|
15.37378 | amu3Å6 | 7.03960962008743E-119 | gm3 cm6 |