Ethylene, 1,2-dichloro-, (E)-

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Gas phase 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 as indicated in comments:
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δfgas-0.1 ± 0.5kcal/molReviewManion, 2002based on measurements by 1974RLV of equilbrium with 1,1-dichloroethane; DRB
Δfgas0.40kcal/molEqkRozhnov, Levanova, et al., 1974GC; ALS

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

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

Ethylene, 1,2-dichloro-, (E)- = Ethylene, 1,2-dichloro-, (Z)-

By formula: C2H2Cl2 = C2H2Cl2

Quantity Value Units Method Reference Comment
Δr-0.48kcal/molEqkRozhnov, Levanova, et al., 1974liquid phase; GC
Δr-0.72 ± 0.16kcal/molEqkCraig, Piper, et al., 1971gas phase
Δr0.723kcal/molEqkWood and Stevenson, 1941gas phase; Heat of isomerization
Δr0.62kcal/molEqkMaroney, 1935gas phase; At 300-975 K

Ethylene, 1,2-dichloro-, (Z)- = Ethylene, 1,2-dichloro-, (E)-

By formula: C2H2Cl2 = C2H2Cl2

Quantity Value Units Method Reference Comment
Δr0.2kcal/molKinLaursen and Pimentel, 1989gas phase; Photolysis
Δr0.44 ± 0.09kcal/molEqkCraig, Piper, et al., 1971gas phase
Δr0.445 ± 0.020kcal/molEqkPitzer and Hollenberg, 1954liquid phase; Heat of isomerization at 0K

Ethene, 1,1-dichloro- = Ethylene, 1,2-dichloro-, (E)-

By formula: C2H2Cl2 = C2H2Cl2

Quantity Value Units Method Reference Comment
Δr-0.84kcal/molEqkRozhnov, Levanova, et al., 1974liquid phase; solvent: Dichloroethylene; GC

Ethylene, 1,2-dichloro-, (E)- + Bromine = Ethane, 1,2-dibromo-1,2-dichloro-

By formula: C2H2Cl2 + Br2 = C2H2Br2Cl2

Quantity Value Units Method Reference Comment
Δr-17.3kcal/molEqkMuller and Schumacher, 1939gas 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 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)9.64 ± 0.02eVN/AN/AL

Ionization energy determinations

IE (eV) Method Reference Comment
9.64PELake and Thompson, 1970RDSH
9.69PEJonathan, Ross, et al., 1970RDSH
~9.6SWalsh and Warsop, 1967RDSH
9.66 ± 0.03PIWatanabe, Nakayama, et al., 1962RDSH
9.64 ± 0.02PIMomigny, 1960RDSH
9.63PIBralsford, Harris, et al., 1960RDSH
9.8PEVon Niessen, Asbrink, et al., 1982Vertical value; LBLHLM
9.80PEWittel and Bock, 1974Vertical value; LLK
11.92PEKatrib, Debies, et al., 1973Vertical value; LLK
9.72PEBock and Wittel, 1972Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C2HCl+13.39 ± 0.05HClEIMomigny, 1961RDSH
C2H2Cl+12.61 ± 0.05ClEIMomigny, 1961RDSH

References

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry 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.

Manion, 2002
Manion, J.A., Evaluated Enthalpies of Formation of the Stable Closed Shell C1 and C2 Chlorinated Hydrocarbons, J. Phys. Chem. Ref. Data, 2002, 31, 1, 123-172, https://doi.org/10.1063/1.1420703 . [all data]

Rozhnov, Levanova, et al., 1974
Rozhnov, A.M.; Levanova, S.V.; Dvornikova, G.A.; Sadovnikova, S.L., Equilibrium of isomerization of dichloroethylenes, J. Appl. Chem. USSR, 1974, 47, 667-669. [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]

Wood and Stevenson, 1941
Wood, R.E.; Stevenson, D.P., The energy of isomerization of cis- and trans-dichloroethylene, J. Am. Chem. Soc., 1941, 63, 1650-1653. [all data]

Maroney, 1935
Maroney, W., The thermal equilibrium of the cis-trans isomers of dichloroethylene at high temperatures, J. Am. Chem. Soc., 1935, 57, 2397-2398. [all data]

Laursen and Pimentel, 1989
Laursen, S.L.; Pimentel, G.C., Matrix-induced intersystem crossing in the photochemistry of the 1,2-dichloroethenes, J. Phys. Chem., 1989, 93, 2328-2333. [all data]

Pitzer and Hollenberg, 1954
Pitzer, K.S.; Hollenberg, J.L., Cis- and trans-dichloroethylenes. The infrared spectra from 130-400 cm.-1 and the thermodynamic properties, J. Am. Chem. Soc., 1954, 76, 1493-1496. [all data]

Muller and Schumacher, 1939
Muller, K.L.; Schumacher, H.J., Die photochemische bromierung von transdichlorathylen und der photochemische durch brom sensibilisierte zerfall von dichlordibromathan, Z. Phys. Chem., 1939, 42, 327-345. [all data]

Lake and Thompson, 1970
Lake, R.F.; Thompson, H., Photoelectron spectra of halogenated ethylenes, Proc. Roy. Soc. (London), 1970, A315, 323. [all data]

Jonathan, Ross, et al., 1970
Jonathan, N.; Ross, K.; Tomlinson, V., The photoelectron spectra of dichloroethylenes, Intern. J. Mass Spectrom. Ion Phys., 1970, 4, 51. [all data]

Walsh and Warsop, 1967
Walsh, A.D.; Warsop, P.A., Ultra-violet absorption of trans-dichloro ethylene, J. Chem. Soc. Faraday Trans., 1967, 63, 524. [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]

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]

Von Niessen, Asbrink, et al., 1982
Von Niessen, W.; Asbrink, L.; Bieri, G., 30.4 nm He(II) Photoelectron spectra of organic molecules. Part VI. Halogeno-compounds (C,H,X: X = Cl, Br, I), J. Electron Spectrosc. Relat. Phenom., 1982, 26, 173. [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]

Katrib, Debies, et al., 1973
Katrib, A.; Debies, T.P.; Colton, R.J.; Lee, T.H.; Rabalais, J.W., The use of differential photoionization cross sections as a function of excitation energy in assigning photoelectron spectra, Chem. Phys. Lett., 1973, 22, 196. [all data]

Bock and Wittel, 1972
Bock, H.; Wittel, K., Photoelectron spectra and molecular properties of trans-dihalogenoethylenes: substituent effects spin-orbit coupling, J. Chem. Soc., Chem. Commun., 1972, 602. [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]


Notes

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