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Experimental data for BeS (beryllium sulfide)

22 02 02 11 45
Other names
Beryllium sulfide; Beryllium sulfide (BeS);
INChI INChIKey SMILES IUPAC name
InChI=1S/Be.S FQDSYGKTHDFFCM-UHFFFAOYSA-N [Be]=S Beryllium sulfide
State Conformation
1Σ C*V
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 264.00 63.00 kJ mol-1 JANAF
Hfg(0K) enthalpy of formation 261.00 63.00 kJ mol-1 JANAF
Entropy (298.15K) entropy 210.29 0.42 J K-1 mol-1 JANAF
Integrated Heat Capacity (0 to 298.15K) integrated heat capacity 8.78   kJ mol-1 JANAF
Heat Capacity (298.15K) heat capacity 30.79   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 Σ 986 998 Gurvich      

Detailed diatomic data
ωe ωexe ωeye Be αe ZPE reference
997.94 6.137 0.79059 0.00664 497.4147 2007Iri:389

vibrational zero-point energy: 492.8 cm-1 (from fundamental vibrations)
Calculated vibrational frequencies for BeS (beryllium sulfide).
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment
  0.79059   1979HUB/HER

Calculated rotational constants for BeS (beryllium sulfide).
Product of moments of inertia moments of inertia
21.32285amu Å2   3.540797E-39gm cm2
Geometric Data
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