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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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Celphos; Delicia; Detia; Detia gas ex-B; Fosforowodor; Gas-ex-B; Hydrogen phosphide; Phosphene; Phosphine; Phosphorus hydride; Phosphorus trihydride; Phosphorwasserstoff; phosphane; |
INChI | INChIKey | SMILES | IUPAC name |
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InChI=1S/H3P/h1H3 | XYFCBTPGUUZFHI-UHFFFAOYSA-N | P | phosphane |
State | Conformation |
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1A1 | C3V |
Property | Value | Uncertainty | units | Reference | Comment |
---|---|---|---|---|---|
Hfg(298.15K) ![]() |
5.40 | 1.70 | kJ mol-1 | JANAF | |
Hfg(0K) ![]() |
13.40 | 1.70 | kJ mol-1 | JANAF | |
Entropy (298.15K) ![]() |
210.24 | J K-1 mol-1 | JANAF | ||
Integrated Heat Capacity (0 to 298.15K) ![]() |
10.14 | kJ mol-1 | JANAF | ||
Heat Capacity (298.15K) ![]() |
37.11 | J K-1 mol-1 | webbook |
Mode Number | Symmetry | Frequency | Intensity | Comment | Description | ||||
---|---|---|---|---|---|---|---|---|---|
Fundamental(cm-1) | Harmonic(cm-1) | Reference | (km mol-1) | unc. | Reference | ||||
1 | A1 | 2323 | Shim | ||||||
2 | A1 | 992 | Shim | ||||||
3 | E | 2328 | Shim | ||||||
4 | E | 1118 | Shim |
A | B | C | reference | comment |
---|---|---|---|---|
4.45236 | 4.45236 | 3.93000 | 1966Herzberg |
Product of moments of inertia ![]() | ||||
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61.4917 | amu3Å6 | 2.81568768955078E-118 | gm3 cm6 |