Ethane, 1-bromo-2-chloro-
- Formula: C2H4BrCl
- Molecular weight: 143.410
- IUPAC Standard InChI: InChI=1S/C2H4BrCl/c3-1-2-4/h1-2H2
- IUPAC Standard InChIKey: IBYHHJPAARCAIE-UHFFFAOYSA-N
- CAS Registry Number: 107-04-0
- 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: β-Chloroethyl bromide; s-Chlorobromoethane; Ethylene chlorobromide; 1-Bromo-2-chloroethane; 1-Chloro-2-bromoethane; 1,2-Bromochloroethane; 1,2-Chlorobromoethane; 2-Bromo-1-chloroethane; 2-Bromoethyl chloride; 2-Chloroethyl bromide; CH2BrCH2Cl; sym-Chlorobromoethane; NSC 60186
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Gas phase ion energetics data
Go To: Top, 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:
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
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| IE (evaluated) | 10.57 ± 0.05 | eV | N/A | N/A | L |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 10.55 | PI | Berman, Anicich, et al., 1979 | LLK |
| 10.52 | PE | Berman, Anicich, et al., 1979 | LLK |
| 10.63 ± 0.03 | PI | Watanabe, Nakayama, et al., 1962 | RDSH |
| 10.63 | PE | Ohno, Imai, et al., 1985 | Vertical value; LBLHLM |
| 10.5 ± 0.1 | PE | Carnovale, Gan, et al., 1979 | Vertical value; Gauche conformer; LLK |
| 10.7 ± 0.1 | PE | Carnovale, Gan, et al., 1979 | Vertical value; Trans conformer; LLK |
| 10.65 ± 0.01 | PE | Chau and McDowell, 1976 | Vertical value; LLK |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C2H4Br+ | 10.89 | ? | PI | Berman, Anicich, et al., 1979 | LLK |
| C2H4Cl+ | 10.72 | ? | PI | Berman, Anicich, et al., 1979 | LLK |
References
Go To: Top, 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.
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]
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]
Ohno, Imai, et al., 1985
Ohno, K.; Imai, K.; Harada, Y.,
Variations in reactivity of lone-pair electrons due to intramolecular hydrogen bonding as observed by penning ionization electron spectroscopy,
J. Am. Chem. Soc., 1985, 107, 8078. [all data]
Carnovale, Gan, et al., 1979
Carnovale, F.; Gan, T.H.; Peel, J.B.,
Photoelectron spectra of the gauche and trans conformers of 1,2-bromochloroethane,
J. Electron Spectrosc. Relat. Phenom., 1979, 16, 87. [all data]
Chau and McDowell, 1976
Chau, F.T.; McDowell, C.A.,
Photoelectron spectra of 1,2-dibromo-1,1-difluoroethane, 1,2-bromochloroethane, and 1,2-dichloro-, 1,2-dibromo-, and 1,2-diiodotetrafluoroethane,
J. Phys. Chem., 1976, 80, 2923. [all data]
Notes
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy IE (evaluated) Recommended ionization energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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