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Experimental data for PH3 (Phosphine)

22 02 02 11 45
Other names
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
InChI=1S/H3P/h1H3 XYFCBTPGUUZFHI-UHFFFAOYSA-N P phosphane
State Conformation
1A1 C3V
Enthalpy of formation (Hfg), Entropy, Integrated heat capacity (0 K to 298.15 K) (HH), Heat Capacity (Cp)
Property Value Uncertainty units Reference Comment
Hfg(298.15K) enthalpy of formation 5.40 1.70 kJ mol-1 JANAF
Hfg(0K) enthalpy of formation 13.40 1.70 kJ mol-1 JANAF
Entropy (298.15K) entropy 210.24   J K-1 mol-1 JANAF
Integrated Heat Capacity (0 to 298.15K) integrated heat capacity 10.14   kJ mol-1 JANAF
Heat Capacity (298.15K) heat capacity 37.11   J K-1 mol-1 webbook
Information can also be found for this species in the NIST Chemistry Webbook
Vibrational levels (cm-1) vibrations
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      

vibrational zero-point energy: 5103.5 cm-1 (from fundamental vibrations)
Calculated vibrational frequencies for PH3 (Phosphine).
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment
4.45236 4.45236 3.93000 1966Herzberg

Calculated rotational constants for PH3 (Phosphine).
Product of moments of inertia moments of inertia
61.4917amu3Å6   2.81568768955078E-118gm3 cm6
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