Methane, bromotrichloro-
- Formula: CBrCl3
- Molecular weight: 198.274
- IUPAC Standard InChI: InChI=1S/CBrCl3/c2-1(3,4)5
- IUPAC Standard InChIKey: XNNQFQFUQLJSQT-UHFFFAOYSA-N
- CAS Registry Number: 75-62-7
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Bromotrichloromethane; Carbon bromotrichloride; Monobromotrichloromethane; Trichlorobromomethane; CCl3Br; Carbon trichlorobromide; Trichloromethyl bromide
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -10.0 ± 0.3 | kcal/mol | Eqk | Mendenhall, Golden, et al., 1973 | see Benson, 1965 |
| ΔfH°gas | -9.4 | kcal/mol | Kin | Sullivan and Davidson, 1951 |
Condensed phase thermochemistry data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Eugene S. Domalski and Elizabeth D. Hearing
Constant pressure heat capacity of liquid
| Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 35.71 | 298. | Bengough and Thomson, 1959 | Mean value 25 to 50°C. |
Reaction thermochemistry data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
+
=
+
By formula: CHCl3 + Br2 = HBr + CBrCl3
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -1.4 ± 0.1 | kcal/mol | Eqk | Mendenhall, Golden, et al., 1973 | gas phase |
+
=
+
By formula: CCl4 + Br2 = BrCl + CBrCl3
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 8.8 ± 0.3 | kcal/mol | Eqk | Mendenhall, Golden, et al., 1973 | gas phase |
+
=
+
By formula: HBr + CBrCl3 = CHCl3 + Br2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 1.4 | kcal/mol | Kin | Sullivan and Davidson, 1951 | gas phase |
Gas phase ion energetics data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 11.05 ± 0.02 | PI | Wang and Leroi, 1983 | LBLHLM |
| 10.6 | PE | Novak, Cvitas, et al., 1981 | LLK |
| 10.91 | PE | Novak, Cvitas, et al., 1981 | Vertical value; LLK |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| CCl3+ | 10.9 ± 0.1 | Br | EI | Farmer, Henderson, et al., 1956 | RDSH |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Mendenhall, Golden, et al., 1973
Mendenhall, G.D.; Golden, D.M.; Benson, S.W.,
Thermochemistry of the bromination of carbon tetrachloride and the heat of formation of carbon tetrachloride,
J. Phys. Chem., 1973, 77, 2707-2709. [all data]
Benson, 1965
Benson, S.W.,
Thermochemistry of the bromination of chloroform and the heat of formation of the CCl3 radical,
J. Chem. Phys., 1965, 43, 2044-2046. [all data]
Sullivan and Davidson, 1951
Sullivan, J.H.; Davidson, N.,
The kinetics of the forward and reverse reactions for the vapor phase thermal bromination of chloroform,
J. Chem. Phys., 1951, 19, 143-148. [all data]
Bengough and Thomson, 1959
Bengough, W.I.; Thomson, R.A.M.,
A dilatometric method of measuring the heats of radiation-induced reactions. Part 2.- The heat of photochemical addition of bromotrichloromethane to vinyl acetate,
Trans. Faraday Soc., 1959, 55, 268-271. [all data]
Wang and Leroi, 1983
Wang, F.C.-Y.; Leroi, G.E.,
Photoionization and fragmentation of halogenated methanes,
Ann. Isr. Phys. Soc., 1983, 6, 210. [all data]
Novak, Cvitas, et al., 1981
Novak, I.; Cvitas, T.; Klasinc, L.; Gusten, H.,
Photoelectron spectra of some halogenomethanes,
J. Chem. Soc. Faraday Trans. 2, 1981, 77, 2049. [all data]
Farmer, Henderson, et al., 1956
Farmer, J.B.; Henderson, I.H.S.; Lossing, F.P.; Marsden, D.G.H.,
Free radicals by mass spectrometry. IX. Ionization potentials of CF3 and CCl3 radicals and bond dissociation energies in some derivatives,
J. Chem. Phys., 1956, 24, 348. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy Cp,liquid Constant pressure heat capacity of liquid ΔfH°gas Enthalpy of formation of gas at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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