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Experimental data for CaCl (calcium monochloride)

22 02 02 11 45
INChI INChIKey SMILES IUPAC name
InChI=1S/Ca.ClH/h;1H/q+1;/p-1 WGPMOVAPQPJDDK-UHFFFAOYSA-M [Ca]Cl
State Conformation
2Σ 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 -104.60   kJ mol-1 webbook
Hfg(0K) enthalpy of formation     kJ mol-1 webbook
Entropy (298.15K) entropy 241.50   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   368 webbook      

vibrational zero-point energy:   cm-1 (from fundamental vibrations)
Calculated vibrational frequencies for CaCl (calcium monochloride).
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment
  0.15223   NISTdiatomic

Calculated rotational constants for CaCl (calcium monochloride).
Product of moments of inertia moments of inertia
110.7378amu Å2   1.838873E-38gm cm2
Geometric Data
picture of calcium monochloride

Point Group C∞v

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