Ethene, 1,1-dichloro-

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Condensed 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
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Δfliquid-24. ± 2.kJ/molReviewManion, 2002weighted average of several measurements; DRB
Δfliquid-24.3 ± 1.4kJ/molCcrMansson, Ringner, et al., 1971ALS
Δfliquid-25. ± 1.kJ/molCcbSinke and Stull, 1958ALS
Quantity Value Units Method Reference Comment
Δcliquid-1096.0 ± 1.4kJ/molCcrMansson, Ringner, et al., 1971ALS
Δcliquid-1095.9kJ/molCcbSinke and Stull, 1958ALS
Quantity Value Units Method Reference Comment
liquid201.54J/mol*KN/AHildenbrand, McDonald, et al., 1959DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
111.29298.15Hildenbrand, McDonald, et al., 1959T = 13 to 290 K.; DH

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

Ethane, 1,1,1-trichloro- = Ethene, 1,1-dichloro- + Hydrogen chloride

By formula: C2H3Cl3 = C2H2Cl2 + HCl

Quantity Value Units Method Reference Comment
Δr56.9kJ/molEqkLevanova, Bushneva, et al., 1979liquid phase
Δr49.0kJ/molEqkLevanova, Bushneva, et al., 1979gas phase
Δr56.9 ± 2.1kJ/molEqkLevanova, Treger, et al., 1975liquid phase; solvent: Nitrobenzene; Flow reactor at 50°C

Ethane, 1,1,2-trichloro- = Ethene, 1,1-dichloro- + Hydrogen chloride

By formula: C2H3Cl3 = C2H2Cl2 + HCl

Quantity Value Units Method Reference Comment
Δr51.5kJ/molEqkLevanova, Bushneva, et al., 1979gas phase
Δr65.3kJ/molEqkLevanova, Bushneva, et al., 1979liquid phase

Ethene, 1,1-dichloro- + Hydrogen chloride = Ethane, 1,1,1-trichloro-

By formula: C2H2Cl2 + HCl = C2H3Cl3

Quantity Value Units Method Reference Comment
Δr-54.64 ± 0.84kJ/molEqkHu, Sinke, et al., 1972gas phase; Heat of halogenation at 348-399 K

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

By formula: C2H2Cl2 = C2H2Cl2

Quantity Value Units Method Reference Comment
Δr-5.52kJ/molEqkRozhnov, Levanova, et al., 1974liquid phase; solvent: Dichloromethylene; GC

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

By formula: C2H2Cl2 = C2H2Cl2

Quantity Value Units Method Reference Comment
Δr-3.5kJ/molEqkRozhnov, Levanova, et al., 1974liquid phase; solvent: Dichloroethylene; GC

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
B - John E. Bartmess

Quantity Value Units Method Reference Comment
IE (evaluated)9.81 ± 0.04eVN/AN/AL

Electron affinity determinations

EA (eV) Method Reference Comment
0.099999ECDWiley, Chen, et al., 1991B

Ionization energy determinations

IE (eV) Method Reference Comment
9.83PELake and Thompson, 1970RDSH
9.74PEJonathan, Ross, et al., 1970RDSH
9.86SWalsh, Warsop, et al., 1968RDSH
9.79PIBralsford, Harris, et al., 1960RDSH
10.0PEVon Niessen, Asbrink, et al., 1982Vertical value; LBLHLM
9.99 ± 0.02PEBunzli, Frost, et al., 1976Vertical value; LLK
10.00PEWittel and Bock, 1974Vertical value; LLK

References

Go To: Top, Condensed 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]

Mansson, Ringner, et al., 1971
Mansson, M.; Ringner, B.; Sunner, S., The enthalpies of combustion and formation of some simple chloroalkanes and chloralkenes 1,1,1-trichloroethane and 1,1-dichloroethene, J. Chem. Thermodyn., 1971, 3, 547-551. [all data]

Sinke and Stull, 1958
Sinke, G.C.; Stull, D.R., Heats of combustion of some organic compounds containing chlorine, J. Phys. Chem., 1958, 62, 397-401. [all data]

Hildenbrand, McDonald, et al., 1959
Hildenbrand, d.L.; McDonald, R.A.; Kramer, W.R.; Stull, D.R., Thermodynamic and spectroscopic study of vinylidene chloride. I. Thermodynamic properties of the solid, liquid, and ideal gas, J. Chem. Phys., 1959, 30, 930-934. [all data]

Levanova, Bushneva, et al., 1979
Levanova, s.V.; Bushneva, I.I.; Rodova, R.M.; Rozhnov, A.M.; Treger, Yu.A.; Aprelkin, A.S., Thermodynamic stability of chloroethanes in dehydrochlorination reactions, J. Appl. Chem. USSR, 1979, 52, 1439-1442. [all data]

Levanova, Treger, et al., 1975
Levanova, S.V.; Treger, Yu.A.; Velichko, S.M.; Rozhnov, A.M.; Bshneva, L.I.; Talanov, A.I., Equilibrium of the vinylidene chloride-methylchloroform system, Zh. Prikl. Khim. (Leningrad), 1975, 42, 480-481. [all data]

Hu, Sinke, et al., 1972
Hu, A.T.; Sinke, G.C.; Mintz, M.J., The enthalpy of formation of 1,1,1-trichloroethane from enthalpy of combustion and equilibrium studies, J. Chem. Thermodyn., 1972, 4, 239-245. [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]

Wiley, Chen, et al., 1991
Wiley, J.R.; Chen, E.C.M.; Chen, E.S.D.; Richardson, P.; Reed, W.R.; Wentworth, W.E., The Determination of Absolute Electron Affinities of Chlorobenzenes, Chloronaphthalenes and Chlorinated Biphenyls from Reduction Potentials, J. Electroanal. Chem. Interfac., 1991, 307, 1-2, 169, https://doi.org/10.1016/0022-0728(91)85546-2 . [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, Warsop, et al., 1968
Walsh, A.D.; Warsop, P.A.; Whiteside, J.A.B., Ultra-violet absorption spectrum of 1,1-dichloro ethylene, J. Chem. Soc. Faraday Trans., 1968, 64, 1432. [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]

Bunzli, Frost, et al., 1976
Bunzli, J.C.; Frost, D.C.; Herring, F.G.; McDowell, C.A., Assignment of the doublet states arising from ionization of chlorine lone-pairs in molecules possessing C2v symmetry, J. Electron Spectrosc. Relat. Phenom., 1976, 9, 289. [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]


Notes

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