Ethene, 1,2-dibromo-, (Z)-


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:
AC - William E. Acree, Jr., James S. Chickos

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
9.70314.AStephenson and Malanowski, 1987Based on data from 299. to 351. K. See also Noyes, Noyes, et al., 1950 and Dykyj, 1970.; AC

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
299.39 to 350.794.6971655.723-35.019Noyes, Noyes, et al., 1950Coefficents calculated by NIST from author's data.

Reaction thermochemistry 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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Individual Reactions

Ethene, 1,2-dibromo-, (E)- = Ethene, 1,2-dibromo-, (Z)-

By formula: C2H2Br2 = C2H2Br2

Quantity Value Units Method Reference Comment
Δr-0.25 ± 0.33kcal/molEqkCraig, Piper, et al., 1971gas phase
Δr0.10 ± 0.16kcal/molKinDowling, Puranik, et al., 1957gas phase

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 compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Ionization energy determinations

IE (eV) Method Reference Comment
9.63 ± 0.01SSchander and Russell, 1976LLK
9.32 ± 0.02PEChadwick, Frost, et al., 1972LLK
9.45 ± 0.02PIMomigny, 1960RDSH
9.45PIBralsford, Harris, et al., 1960RDSH
9.63PEWittel and Bock, 1974Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C2H2Br+11.44 ± 0.05BrEIMomigny, 1961RDSH

Gas Chromatography

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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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Kovats' RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
PackedOV-1100.766.Castello and Gerbino, 1988He, Chromosorb W DMCS; Column length: 3. m
PackedOV-1125.774.Castello and Gerbino, 1988He, Chromosorb W DMCS; Column length: 3. m
PackedOV-175.758.Castello and Gerbino, 1988He, Chromosorb W DMCS; Column length: 3. m

Kovats' RI, polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
PackedSP-1000100.1266.33Castello and Gerbino, 1988He, Chromosorb W DMCS; Column length: 3. m
PackedSP-1000125.1274.7Castello and Gerbino, 1988He, Chromosorb W DMCS; Column length: 3. m
PackedSP-100075.1252.54Castello and Gerbino, 1988He, Chromosorb W DMCS; Column length: 3. m

References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Noyes, Noyes, et al., 1950
Noyes, Richard M.; Noyes, Winninette A.; Steinmetz, Hyman, Vapor Pressures of cis and trans Disubstituted Ethylenes, J. Am. Chem. Soc., 1950, 72, 1, 33-34, https://doi.org/10.1021/ja01157a008 . [all data]

Dykyj, 1970
Dykyj, J., Petrochemica, 1970, 10, 2, 51. [all data]

Craig, Piper, et al., 1971
Craig, N.C.; Piper, L.G.; Wheeler, V.L., Thermodynamics of cis-trans isomerizations. II. The 1-chloro-2-fluoroethylenes, 1,2-difluorocyclopropanes, and related molecules, J. Phys. Chem., 1971, 75, 1453-1460. [all data]

Dowling, Puranik, et al., 1957
Dowling, J.M.; Puranik, P.G.; Meister, A.G., Vibrational spectra, potential constants, and calculated thermodynamic properties of cis- and trans-BrHC=CHBr, and cis- and trans-BrDC=CDBr, J. Chem. Phys., 1957, 26, 233-240. [all data]

Schander and Russell, 1976
Schander, J.; Russell, B.R., Vacuum ultraviolet spectra of bromoethylene and dibromoethylenes, J. Am. Chem. Soc., 1976, 98, 6900. [all data]

Chadwick, Frost, et al., 1972
Chadwick, D.; Frost, D.C.; Katrib, A.; McDowell, C.A.; McLean, R.A.N., Photoelectron spectra of some bromoethylenes and 2-bromopropene, Can. J. Chem., 1972, 50, 2642. [all data]

Momigny, 1960
Momigny, J., Les potentials d'ionisation des dihalogenoethylenes cis et trans, Bull. Classe Sci. Acad. Roy. Belg., 1960, 46, 686. [all data]

Bralsford, Harris, et al., 1960
Bralsford, R.; Harris, P.V.; Price, W.C., The effect of fluorine on the electronic spectra and ionization potentials of molecules, Proc. Roy. Soc. (London), 1960, A258, 459. [all data]

Wittel and Bock, 1974
Wittel, K.; Bock, H., Photoelektronenspekten und molekuleigenschaften. XXVII. Chlor- und bromathylene- beispiele fur anderungen in π- und σ-Systemen, Chem. Ber., 1974, 107, 317. [all data]

Momigny, 1961
Momigny, J., Comportement des dihalogenoethylenes cis et trans sous l'impact electronique, Bull. Soc. Chim. Belges, 1961, 70, 241. [all data]

Castello and Gerbino, 1988
Castello, G.; Gerbino, T.C., Effect of Temperature on the Gas Chromatographic Separation of Halogenated Compounds on Polar and Non-Polar Stationary Phases, J. Chromatogr., 1988, 437, 33-45, https://doi.org/10.1016/S0021-9673(00)90369-8 . [all data]


Notes

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