Methane, bromochloro-
- Formula: CH2BrCl
- Molecular weight: 129.384
- IUPAC Standard InChIKey: JPOXNPPZZKNXOV-UHFFFAOYSA-N
- CAS Registry Number: 74-97-5
- 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: Bromochloromethane; Chlorobromomethane; Halon 1011; Monochloromonobromomethane; CH2ClBr; Methylene chlorobromide; MIL-B-4394-B; UN 1887; Fluorocarbon 1011; Methylene bromide chloride; NSC 7294
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Reaction thermochemistry data
Go To: Top, 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: John E. Bartmess
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
CHBrCl- + =
By formula: CHBrCl- + H+ = CH2BrCl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 373.0 ± 3.1 | kcal/mol | G+TS | Born, Ingemann, et al., 2000 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 365.2 ± 3.0 | kcal/mol | IMRB | Born, Ingemann, et al., 2000 | gas phase |
Gas phase ion energetics data
Go To: Top, Reaction thermochemistry data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data evaluated as indicated in comments:
L - Sharon G. Lias
Data compiled as indicated in comments:
B - John E. Bartmess
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 10.77 ± 0.01 | eV | N/A | N/A | L |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
10.77 | PE | Novak, Cvitas, et al., 1981 | LLK |
10.77 ± 0.01 | PI | Watanabe, Nakayama, et al., 1962 | RDSH |
10.75 ± 0.05 | EI | Harrison and Shannon, 1962 | RDSH |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
CH2Cl+ | 11.6 ± 0.1 | Br | EI | Harrison and Shannon, 1962 | RDSH |
De-protonation reactions
CHBrCl- + =
By formula: CHBrCl- + H+ = CH2BrCl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 373.0 ± 3.1 | kcal/mol | G+TS | Born, Ingemann, et al., 2000 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 365.2 ± 3.0 | kcal/mol | IMRB | Born, Ingemann, et al., 2000 | gas phase; B |
References
Go To: Top, 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.
Born, Ingemann, et al., 2000
Born, M.; Ingemann, S.; Nibbering, N.M.M.,
Thermochemical properties of halogen-substituted methanes, methyl radicals, and carbenes in the gas phase,
Int. J. Mass Spectrom., 2000, 194, 2-3, 103-113, https://doi.org/10.1016/S1387-3806(99)00125-6
. [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]
Watanabe, Nakayama, et al., 1962
Watanabe, K.; Nakayama, T.; Mottl, J.,
Ionization potentials of some molecules,
J. Quant. Spectry. Radiative Transfer, 1962, 2, 369. [all data]
Harrison and Shannon, 1962
Harrison, A.G.; Shannon, T.W.,
An electron impact study of chloromethyl and dichloromethyl derivatives,
Can. J. Chem., 1962, 40, 1730. [all data]
Notes
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy IE (evaluated) Recommended ionization energy ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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