1-Bromo-1-chloroethane
- Formula: C2H4BrCl
- Molecular weight: 143.410
- IUPAC Standard InChI: InChI=1S/C2H4BrCl/c1-2(3)4/h2H,1H3
- IUPAC Standard InChIKey: QMSVNDSDEZTYAS-UHFFFAOYSA-N
- CAS Registry Number: 593-96-4
- 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: CH3CHClBr; Ethane, 1-bromo-1-chloro-
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Reaction thermochemistry data
Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), 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
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Individual Reactions
=
+
By formula: C2H4BrCl = HBr + C2H3Cl
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 19.9 ± 0.2 | kcal/mol | Eqk | Busheva, Levanova, et al., 1980 | gas phase; Dehydrohalogenation |
=
+
By formula: C2H4BrCl = C2H3Br + HCl
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 15.8 ± 0.4 | kcal/mol | Eqk | Busheva, Levanova, et al., 1980 | gas phase; Dehydrohalogenation |
2 =
+
By formula: 2C2H4BrCl = C2H4Br2 + C2H4Cl2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 1.9 ± 0.1 | kcal/mol | Eqk | Busheva, Levanova, et al., 1980 | gas phase; Dehydrohalogenation |
Gas phase ion energetics data
Go To: Top, Reaction thermochemistry data, Mass spectrum (electron ionization), References, Notes
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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 10.37 | PE | Berman, Anicich, et al., 1979 | LLK |
| 10.42 | PI | Berman, Anicich, et al., 1979 | LLK |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C2H4Br+ | 10.57 | ? | PI | Berman, Anicich, et al., 1979 | LLK |
| C2H4Cl+ | 10.52 | ? | PI | Berman, Anicich, et al., 1979 | LLK |
Mass spectrum (electron ionization)
Go To: Top, 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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | NIST Mass Spectrometry Data Center |
| NIST MS number | 343034 |
References
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Busheva, Levanova, et al., 1980
Busheva, L.I.; Levanova, S.V.; Rodova, R.M.; Rozhnov, A.M.,
Thermocatalytic reactions of 1,1-bromochloroethane,
Russ. J. Phys. Chem. (Engl. Transl.), 1980, 54, 1403-1404. [all data]
Berman, Anicich, et al., 1979
Berman, D.W.; Anicich, V.; Beauchamp, J.L.,
Stabilities of isomeric halonium ions C2H4X+ (X = Cl, Br) by photoionization mass spectrometry iand on cyclotron resonance spectroscopy. General considerations of the relative stabilities of cyclic and acyclic isomeric onium ions,
J. Am. Chem. Soc., 1979, 101, 1239. [all data]
Notes
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), References
- Symbols used in this document:
AE Appearance energy ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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