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Experimental data for CF2Cl2 (difluorodichloromethane)

22 02 02 11 45
Other names
Algofrene Type 2; Arcton 12; Arcton 6; Chlorofluoromethane (CCl2F2); Dichlorodifluoromethane; Difluorodichloromethane; Dwuchlorodwufluorometan; Electro-CF 12; Eskimon 12; F 12; FC 12; Fluorocarbon 12; Freon 12; Freon F-12; Frigen 12; Genetron 12; Halon; Halon 122; Isceon 122; Isotron 12; Kaiser chemicals 12; Ledon 12; Methane, dichlorodifluoro-; Propellant 12; R 12; R 12, Refrigerant; Refrigerant 12; Ucon 12; Ucon 12/halocarbon 12;
INChI INChIKey SMILES IUPAC name
InChI=1S/CCl2F2/c2-1(3,4)5 PXBRQCKWGAHEHS-UHFFFAOYSA-N ClC(F)(F)Cl Dichlorodifluoromethane
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 -486.00 10.00 kJ mol-1 Gurvich
Hfg(0K) enthalpy of formation -481.83 10.00 kJ mol-1 Gurvich
Entropy (298.15K) entropy 300.90   J K-1 mol-1 Gurvich
Integrated Heat Capacity (0 to 298.15K) integrated heat capacity 14.88   kJ mol-1 Gurvich
Heat Capacity (298.15K) heat capacity 72.48   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 1101   Shim 298.0 14.9 1995Mar/deO:11357 CF2 s-str
2 A1 667   Shim 12.3 0.6 1995Mar/deO:11357 CCl2 s-str
3 A1 458   Shim 0.2 0.0 1995Mar/deO:11357 CF2 sciss
4 A1 262   Shim 2.6 0.1 1995Mar/deO:11357 CCl2 scissors
5 A2 322   Shim       CF2 twist
6 B1 902   Shim 307.0 15.4 1995Mar/deO:11357 B1 B2 switched from intensity ref CCl2 a-str
7 B1 437   Shim 0.1 0.0 1995Mar/deO:11357 B1 B2 switched from intensity ref CF2 wag
8 B2 1159   Shim 199.0 10.0 1995Mar/deO:11357 B1 B2 switched from intensity ref CF2 a-str
9 B2 446   Shim 0.1 0.0 1995Mar/deO:11357 B1 B2 switched from intensity ref CF2 rock

vibrational zero-point energy: 2877.0 cm-1 (from fundamental vibrations)
Calculated vibrational frequencies for CF2Cl2 (difluorodichloromethane).
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
0.13739 0.08802 0.07451 2000Bas/Dyu:26

Calculated rotational constants for CF2Cl2 (difluorodichloromethane).
Product of moments of inertia moments of inertia
5316971amu3Å6   2.4346261333812E-113gm3 cm6
Geometric Data
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