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Experimental data for CH2Cl2 (Methylene chloride)

22 02 02 11 45
Other names
Aerothene MM; Chlorure de methylene; DCM; Dichloromethane; Freon 30; Methane dichloride; Methane, dichloro-; Methylene bichloride; Methylene Chloride; Methylene dichloride; Metylenu chlorek; Narkotil; R 30; Solaesthin; Solmethine;
INChI INChIKey SMILES IUPAC name
InChI=1S/CH2Cl2/c2-1-3/h1H2 YMWUJEATGCHHMB-UHFFFAOYSA-N ClCCl Dichloromethane
State Conformation
1A1 C2V
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 -95.00 0.30 kJ mol-1 Gurvich
Hfg(0K) enthalpy of formation -88.15 0.30 kJ mol-1 Gurvich
Entropy (298.15K) entropy 270.36   J K-1 mol-1 Gurvich
Integrated Heat Capacity (0 to 298.15K) integrated heat capacity 11.85   kJ mol-1 Gurvich
Heat Capacity (298.15K) heat capacity 50.95   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 2999   Shim       CH2 s-stretch
2 A1 1467   Shim       CH2 sciss
3 A1 717   Shim       CCl2 s-str
4 A1 282   Shim       CCl2 scissors
5 A2 1153   Shim       CH2 twist
6 B1 3040   Shim       CH2 a-stretch
7 B1 898   Shim       CH2 rock
8 B2 1268   Shim       CH2 wag
9 B2 758   Shim       CCl2 a-str

vibrational zero-point energy: 6291.0 cm-1 (from fundamental vibrations)
Calculated vibrational frequencies for CH2Cl2 (Methylene chloride).
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
1.06748 0.11075 0.10225 1989Tul/Niv:355

Calculated rotational constants for CH2Cl2 (Methylene chloride). An error occurred on the server when processing the URL. Please contact the system administrator.

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