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Experimental data for C2 (Carbon diatomic)

22 02 02 11 45
Other names
Carbon (C2); Carbon dimer; Dicarbon;
INChI INChIKey SMILES IUPAC name
InChI=1S/C2/c1-2 LBVWYGNGGJURHQ-UHFFFAOYSA-N [C]#[C]
State Conformation
1Σg+ D*H
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 830.46 10.00 kJ mol-1 Gurvich
Hfg(0K) enthalpy of formation 822.39 10.00 kJ mol-1 Gurvich
Entropy (298.15K) entropy 197.10   J K-1 mol-1 Gurvich
Integrated Heat Capacity (0 to 298.15K) integrated heat capacity 10.17   kJ mol-1 Gurvich
Heat Capacity (298.15K) heat capacity 43.55   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 Σg 1827 1855 2007Iri:389      

Detailed diatomic data
ωe ωexe ωeye Be αe ZPE reference
1855.066 13.6007 -0.116 1.820053 0.0179143 923.9669 2007Iri:389

vibrational zero-point energy: 913.7 cm-1 (from fundamental vibrations)
Calculated vibrational frequencies for C2 (Carbon diatomic).
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment
  1.82005   2007Iri:389

Calculated rotational constants for C2 (Carbon diatomic).
Product of moments of inertia moments of inertia
9.262164amu Å2   1.538043E-39gm cm2
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