Ethane, 1-bromo-2-chloro-
- Formula: C2H4BrCl
- Molecular weight: 143.410
- 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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Phase change data
Go To: Top, Henry's Law 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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
AC - William E. Acree, Jr., James S. Chickos
CAL - James S. Chickos, William E. Acree, Jr., Joel F. Liebman, Students of Chem 202 (Introduction to the Literature of Chemistry), University of Missouri -- St. Louis
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 390. ± 30. | K | AVG | N/A | Average of 7 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 256.4 | K | N/A | Buckingham and Donaghy, 1982 | BS |
Tfus | 256.5 | K | N/A | Railing, 1939 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.2 K; TRC |
Tfus | 198.8 | K | N/A | Timmermans, 1922 | Uncertainty assigned by TRC = 0.4 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 38.13 ± 0.04 | kJ/mol | C | Wadso, 1968 | ALS |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
38.060 | 379.8 | N/A | Svoboda, Kubes, et al., 1992 | DH |
37.6 ± 0.1 | 308. | C | Svoboda, Kubes, et al., 1992 | AC |
37.3 ± 0.1 | 315. | C | Svoboda, Kubes, et al., 1992 | AC |
36.9 ± 0.1 | 323. | C | Svoboda, Kubes, et al., 1992 | AC |
36.6 ± 0.1 | 330. | C | Svoboda, Kubes, et al., 1992 | AC |
36.4 ± 0.1 | 338. | C | Svoboda, Kubes, et al., 1992 | AC |
39.5 | 244. to 379. | N/A | Stull, 1947 | AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
244.4 to 379.8 | 4.3954 | 1500.797 | -37.88 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
9.62 | 256.4 | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
17.15 | 182. | Domalski and Hearing, 1996 | CAL |
37.53 | 256.4 |
Enthalpy of phase transition
ΔHtrs (kJ/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
3.100 | 182. | crystaline, II | crystaline, I | Railing, 1939, 2 | DH |
9.625 | 256.4 | crystaline, I | liquid | Railing, 1939, 2 | DH |
Entropy of phase transition
ΔStrs (J/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
17.0 | 182. | crystaline, II, Lambda | crystaline, I, type transition | Railing, 1939, 2 | DH |
37.5 | 256.4 | crystaline, I | liquid | Railing, 1939, 2 | DH |
Henry's Law data
Go To: Top, Phase change 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: Rolf Sander
Henry's Law constant (water solution)
kH(T) = k°H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
k°H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(kH))/d(1/T) = Temperature dependence constant (K)
k°H (mol/(kg*bar)) | d(ln(kH))/d(1/T) (K) | Method | Reference |
---|---|---|---|
1.1 | V | N/A |
Gas phase ion energetics data
Go To: Top, Phase change data, Henry's Law 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:
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, Phase change data, Henry's Law 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.
Buckingham and Donaghy, 1982
Buckingham, J.; Donaghy, S.M.,
Dictionary of Organic Compounds: Fifth Edition, Chapman and Hall, New York, 1982, 1. [all data]
Railing, 1939
Railing, W.E.,
The Specific Heat of Some Ethylene Halides,
J. Am. Chem. Soc., 1939, 61, 3349. [all data]
Timmermans, 1922
Timmermans, J.,
Investigation of the Freezing Point of Organic Substances VII,
Bull. Soc. Chim. Belg., 1922, 31, 389. [all data]
Wadso, 1968
Wadso, I.,
Heats of vaporization of organic compounds II. Chlorides, bromides, and iodides,
Acta Chem. Scand., 1968, 22, 2438. [all data]
Svoboda, Kubes, et al., 1992
Svoboda, V.; Kubes, V.; Basarova, P.,
Enthalpies of vaporization and cohesive energies of 1,1,2,2-tetrachloro-1,2-difluoroethane, 1,2-dibromoethane, 1-bromo-2-chloroethane, 1,3-dibromo-propane, and 1,4-dibromo-2,3-dichloro-1,1,2,3,4,4-hexafluorobutane,
J. Chem. Thermodyn., 1992, 24, 555-558. [all data]
Stull, 1947
Stull, Daniel R.,
Vapor Pressure of Pure Substances. Organic and Inorganic Compounds,
Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022
. [all data]
Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D.,
Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III,
J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985
. [all data]
Railing, 1939, 2
Railing, W.E.,
The specific heat of some ethylene halides,
J. Am. Chem. Soc., 1939, 61, 3349-3353. [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]
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, Phase change data, Henry's Law data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy IE (evaluated) Recommended ionization energy Tboil Boiling point Tfus Fusion (melting) point d(ln(kH))/d(1/T) Temperature dependence parameter for Henry's Law constant k°H Henry's Law constant at 298.15K ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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