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Experimental data for CH2FCl (fluorochloromethane)

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Other names
Methane, chlorofluoro-; Chlorofluoromethane; Freon 31; Monochloromonofluoromethane; R 31;
INChI INChIKey SMILES IUPAC name
InChI=1S/CH2ClF/c2-1-3/h1H2 XWCDCDSDNJVCLO-UHFFFAOYSA-N ClCF Chlorofluoromethane
State Conformation
1A' CS
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 -261.92   kJ mol-1 webbook
Hfg(0K) enthalpy of formation     kJ mol-1 webbook
Entropy (298.15K) entropy 264.41   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 A' 2993   1950Ply/Lam:204       CH2 s-stretch
2 A' 1468           CH2 scissors
3 A' 1351           CH2 wag
4 A' 1068           CF stretch
5 A' 760           CCl stretch
6 A' 385           CClF Sciss
7 A" 3048           CH2 a-stretch
8 A" 1236           CH2 twist
9 A" 1000           CH2 rock

vibrational zero-point energy: 6654.5 cm-1 (from fundamental vibrations)
Calculated vibrational frequencies for CH2FCl (fluorochloromethane).
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment
1.39467 0.19066 0.17328 1995Bla/Les:397

Calculated rotational constants for CH2FCl (fluorochloromethane).
Product of moments of inertia moments of inertia
103966.1amu3Å6   4.76057796457406E-115gm3 cm6
Geometric Data
picture of fluorochloromethane

Point Group Cs


Internal coordinates
distances (r) in Å, angles (a) in degrees, dihedrals (d) in degrees
Description Value unc. Connectivity Reference Comment
Atom 1 Atom 2 Atom 3 Atom 4
rCH 1.090 0.010 1 4 1995Bla/Les:397 rs
rCCl 1.762 0.000 1 3 1995Bla/Les:397 rs
rCF 1.370 0.001 1 2 1995Bla/Les:397 rs
aHCH 110.4 50 4 1 5 1995Bla/Les:397
aFCCl 110.1 0.5 2 1 3 1995Bla/Les:397
aHCCl 109.4 3 3 1 4 1995Bla/Les:397
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