return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
You are here: Experimental > One molecule all properties

Experimental data for CBrCl2F (bromodichlorofluoromethane)

22 02 02 11 45
Other names
Fluorodichlorobromomethane;
INChI INChIKey SMILES IUPAC name
1S/CBrCl2F/c2-1(3,4)5 ARBYBCHKMDUXNE-UHFFFAOYSA-N FC(Cl)(Cl)Br
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
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' 1080   webbook       CF str
2 A' 796           CCl2 s-str
3 A' 502           CBr stretch
4 A' 339           CCl2 scissors
5 A' 306           CBrF scissors
6 A' 218           CCl2 wag
7 A" 838           CCl2 a-str
8 A" 392           CCl2 twist
9 A" 204           CCl2 rock

vibrational zero-point energy: 2337.5 cm-1 (from fundamental vibrations)
Calculated vibrational frequencies for CBrCl2F (bromodichlorofluoromethane).
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment

Calculated rotational constants for CBrCl2F (bromodichlorofluoromethane).
Product of moments of inertia moments of inertia
amu3Å6   0gm3 cm6
Geometric Data
picture of bromodichlorofluoromethane An error occurred on the server when processing the URL. Please contact the system administrator.

If you are the system administrator please click here to find out more about this error.