Ethane, 1-bromo-2-chloro-

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Phase change 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:
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
Tboil390. ± 30.KAVGN/AAverage of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus256.4KN/ABuckingham and Donaghy, 1982BS
Tfus256.5KN/ARailing, 1939Crystal phase 1 phase; Uncertainty assigned by TRC = 0.2 K; TRC
Tfus198.8KN/ATimmermans, 1922Uncertainty assigned by TRC = 0.4 K; TRC
Quantity Value Units Method Reference Comment
Δvap9.113 ± 0.01kcal/molCWadso, 1968ALS

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
9.0966379.8N/ASvoboda, Kubes, et al., 1992DH
8.99 ± 0.02308.CSvoboda, Kubes, et al., 1992AC
8.91 ± 0.02315.CSvoboda, Kubes, et al., 1992AC
8.82 ± 0.02323.CSvoboda, Kubes, et al., 1992AC
8.75 ± 0.02330.CSvoboda, Kubes, et al., 1992AC
8.70 ± 0.02338.CSvoboda, Kubes, et al., 1992AC
9.44244. to 379.N/AStull, 1947AC

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (atm)
    T = temperature (K)

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Temperature (K) A B C Reference Comment
244.4 to 379.84.38971500.797-37.88Stull, 1947Coefficents calculated by NIST from author's data.

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Reference Comment
2.30256.4Domalski and Hearing, 1996AC

Entropy of fusion

ΔfusS (cal/mol*K) Temperature (K) Reference Comment
4.099182.Domalski and Hearing, 1996CAL
8.970256.4

Enthalpy of phase transition

ΔHtrs (kcal/mol) Temperature (K) Initial Phase Final Phase Reference Comment
0.7409182.crystaline, IIcrystaline, IRailing, 1939, 2DH
2.300256.4crystaline, IliquidRailing, 1939, 2DH

Entropy of phase transition

ΔStrs (cal/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
4.06182.crystaline, II, Lambdacrystaline, I, type transitionRailing, 1939, 2DH
8.96256.4crystaline, IliquidRailing, 1939, 2DH

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


Henry's Law 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: Rolf Sander

Henry's Law constant (water solution)

kH(T) = H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 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)

H (mol/(kg*bar)) d(ln(kH))/d(1/T) (K) Method Reference
1.1 VN/A

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 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 ± 0.05eVN/AN/AL

Ionization energy determinations

IE (eV) Method Reference Comment
10.55PIBerman, Anicich, et al., 1979LLK
10.52PEBerman, Anicich, et al., 1979LLK
10.63 ± 0.03PIWatanabe, Nakayama, et al., 1962RDSH
10.63PEOhno, Imai, et al., 1985Vertical value; LBLHLM
10.5 ± 0.1PECarnovale, Gan, et al., 1979Vertical value; Gauche conformer; LLK
10.7 ± 0.1PECarnovale, Gan, et al., 1979Vertical value; Trans conformer; LLK
10.65 ± 0.01PEChau and McDowell, 1976Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C2H4Br+10.89?PIBerman, Anicich, et al., 1979LLK
C2H4Cl+10.72?PIBerman, Anicich, et al., 1979LLK

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

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