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Experimental data for NH3 (Ammonia)

22 02 02 11 45
Other names
Ammonia; Ammonia gas; Ammonia, anhydrous; Anhydrous ammonia; Aromatic Ammonia, Vaporole; Nitro-Sil; Spirit of Hartshorn; azane;
INChI INChIKey SMILES IUPAC name
InChI=1S/H3N/h1H3 QGZKDVFQNNGYKY-UHFFFAOYSA-N N Ammonia
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 -45.94 0.35 kJ mol-1 CODATA
Hfg(0K) enthalpy of formation -38.95 0.35 kJ mol-1 CODATA
Entropy (298.15K) entropy 192.77 0.05 J K-1 mol-1 CODATA
Integrated Heat Capacity (0 to 298.15K) integrated heat capacity 10.04 0.01 kJ mol-1 CODATA
Heat Capacity (298.15K) heat capacity 35.63   J K-1 mol-1 Gurvich
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 3337   Shim 7.1 0.8 1983Koo/Vis:203 sym stretch
2 A1 950   Shim 138.0 6.0 1983Koo/Vis:203 sym. deform.
3 E 3444   Shim 4.3 0.7 1983Koo/Vis:203 deg. stretch
4 E 1627   Shim 28.2 0.5 1983Koo/Vis:203 deg. deform

vibrational zero-point energy: 7214.5 cm-1 (from fundamental vibrations)
Calculated vibrational frequencies for NH3 (Ammonia).
Gas-phase IR spectra can be found in the NIST Chemistry Webbook here.
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment
9.44430 9.44430 6.19600 1966Herzberg

Calculated rotational constants for NH3 (Ammonia).
Product of moments of inertia moments of inertia
8.668394amu3Å6   3.96923338173294E-119gm3 cm6
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