Ethene, chloro-

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Reaction thermochemistry data

Go To: Top, Gas phase ion energetics data, Gas Chromatography, 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: 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, 1,2-dichloro- = Ethene, chloro- + Hydrogen chloride

By formula: C2H4Cl2 = C2H3Cl + HCl

Quantity Value Units Method Reference Comment
Δr12.1 ± 1.0kcal/molCmBuravtsev, Grigor'ev, et al., 1992gas phase
Δr19.6kcal/molEqkLevanova, Bushneva, et al., 1979liquid phase
Δr16.3kcal/molEqkLevanova, Bushneva, et al., 1979gas phase
Δr16.24kcal/molEqkGhosh and Guha, 1951liquid phase

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

By formula: C2H4Cl2 = C2H3Cl + HCl

Quantity Value Units Method Reference Comment
Δr17.8kcal/molEqkLevanova, Bushneva, et al., 1979liquid phase
Δr14.8kcal/molEqkLevanova, Bushneva, et al., 1979gas phase

2Hydrogen + Ethene, chloro- = Ethane + Hydrogen chloride

By formula: 2H2 + C2H3Cl = C2H6 + HCl

Quantity Value Units Method Reference Comment
Δr-51.2 ± 0.2kcal/molChydLacher, Emery, et al., 1956gas phase; At 298 K, see Lacher, Kianpour, et al., 1956

1-Bromo-1-chloroethane = Hydrogen bromide + Ethene, chloro-

By formula: C2H4BrCl = HBr + C2H3Cl

Quantity Value Units Method Reference Comment
Δr19.9 ± 0.2kcal/molEqkBusheva, Levanova, et al., 1980gas phase; Dehydrohalogenation

Hydrogen + Ethene, chloro- = Ethylene + Hydrogen chloride

By formula: H2 + C2H3Cl = C2H4 + HCl

Quantity Value Units Method Reference Comment
Δr-18.39kcal/molChydLacher, Kianpour, et al., 1956gas phase; At 298 K

Methylchlorocarbene = Ethene, chloro-

By formula: C2H3Cl = C2H3Cl

Quantity Value Units Method Reference Comment
Δr-42.1 ± 3.7kcal/molCmLaVilla and Goodman, 1989gas phase; solvent: Heptane

Ethene, chloro- = Acetylene + Hydrogen chloride

By formula: C2H3Cl = C2H2 + HCl

Quantity Value Units Method Reference Comment
Δr24.06 ± 0.28kcal/molCmLacher, Gottlieb, et al., 1962gas phase

3-Methyl-3-chlorodiazirine = Ethene, chloro- + Nitrogen

By formula: C2H3ClN2 = C2H3Cl + N2

Quantity Value Units Method Reference Comment
Δr-46.9 ± 3.4kcal/molCmArcher and Tyler, 1976gas phase

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

By formula: C2H3Cl + HCl = C2H4Cl2

Quantity Value Units Method Reference Comment
Δr-22.15kcal/molEqkLevanova, Treger, et al., 1976gas phase

Gas phase ion energetics data

Go To: Top, Reaction thermochemistry data, Gas Chromatography, 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:
LL - Sharon G. Lias and Joel F. Liebman
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

View reactions leading to C2H3Cl+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)9.99 ± 0.02eVN/AN/AL

Ionization energy determinations

IE (eV) Method Reference Comment
9.98 ± 0.02PISheng, Qi, et al., 1995LL
9.99 ± 0.02PIReinke, Kraessig, et al., 1973LLK
10.01PEMines and Thompson, 1973LLK
10.00PELake and Thompson, 1970RDSH
10.00 ± 0.01PISood and Watanabe, 1966RDSH
10.00 ± 0.01SSood and Watanabe, 1966RDSH
10.00 ± 0.02PIMomigny, 1963RDSH
10.0 ± 0.01PIWatanabe, Nakayama, et al., 1962RDSH
9.995PIBralsford, Harris, et al., 1960RDSH
10.00 ± 0.01SWalsh, 1945RDSH
10.2PECambi, Ciullo, et al., 1983Vertical value; LBLHLM
10.2PEVon Niessen, Asbrink, et al., 1982Vertical value; LBLHLM
10.15PEWittel and Bock, 1974Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C2H2+12.5 ± 0.1HClPIReinke, Kraessig, et al., 1973LLK
C2H2+13.8 ± 0.3HClEIHughes, Tiernan, et al., 1969RDSH
C2H2Cl+14.90 ± 0.05HPISheng, Qi, et al., 1995LL
C2H3+12.54 ± 0.02ClPISheng, Qi, et al., 1995LL
C2H3+12.48 ± 0.04ClPIReinke, Kraessig, et al., 1973LLK
C2H3+12.56 ± 0.09ClEIFinney and Harrison, 1972LLK
C2H3+12.5ClEILossing, 1971LLK
H+18.63 ± 0.05C2H2ClPISheng, Qi, et al., 1995LL

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

View large format table.

Column type Active phase Temperature (C) I Reference Comment
PackedSqualane27.362.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedSqualane49.363.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedSqualane67.364.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedSqualane86.366.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm

Kovats' RI, polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillaryCarbowax 20M50.603.Villalobos, 199530. m/0.32 mm/0.54 μm, He

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryOV-101366.Zenkevich, 200525. m/0.20 mm/0.10 μm, N2/He, 6. K/min; Tstart: 50. C; Tend: 250. C
CapillaryBP-1378.Health Safety Executive, 200050. m/0.22 mm/0.75 μm, He, 5. K/min; Tstart: 50. C; Tend: 200. C

Normal alkane RI, non-polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryPolydimethyl siloxanes353.Zenkevich and Chupalov, 1996Program: not specified

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryCarbowax 20M505.Ramsey and Flanagan, 1982Program: not specified

References

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Gas Chromatography, Notes

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

Buravtsev, Grigor'ev, et al., 1992
Buravtsev, N.N.; Grigor'ev, A.S.; Zaidman, O.A.; Kolbanovskii, Yu.A.; Markelov, M.YU.; Sadogurskii, M.N.; Treger, Yu.A., Dehydrochlorination of chloroalkanes under rigid homogeneous conditions. II. Effect of small additions of oxygen to the kinetics of high-temperature decomposition of 1,2-dichloroethane under adiabatic compression, Khim. Fiz., 1992, 11, 218-226. [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]

Ghosh and Guha, 1951
Ghosh, J.C.; Guha, S.R.D., Catalytic dehydrochlorination of ethylene dichloride, Petroleum (London), 1951, 14, 261-264. [all data]

Lacher, Emery, et al., 1956
Lacher, J.R.; Emery, E.; Bohmfalk, E.; Park, J.D., Reaction heats of organic compounds. IV. A high temperature calorimeter and the hydrogenation of methyl ethyl and vinyl chlorides, J. Phys. Chem., 1956, 60, 492-495. [all data]

Lacher, Kianpour, et al., 1956
Lacher, J.R.; Kianpour, A.; Oetting, F.; Park, J.D., Reaction calorimetry. The hydrogenation of organic fluorides and chlorides, Trans. Faraday Soc., 1956, 52, 1500-1508. [all data]

Busheva, Levanova, et al., 1980
Busheva, L.I.; Levanova, S.V.; Rodova, R.M.; Rozhnov, A.M., Thermocatalytic reactions of 1,1-bromochloroethane, Russ. J. Phys. Chem. (Engl. Transl.), 1980, 54, 1403-1404. [all data]

LaVilla and Goodman, 1989
LaVilla, J.A.; Goodman, J.L., The 1,2-hydrogen-shift rearrangement in alkylchlorocarbenes, J. Am. Chem. Soc., 1989, 111, 6877-6878. [all data]

Lacher, Gottlieb, et al., 1962
Lacher, J.R.; Gottlieb, H.B.; Park, J.D., Reaction heats of organic compounds. Part 2.-Heat of addition of hydrogen chloride to acetylene, Trans. Faraday Soc., 1962, 58, 2348-2351. [all data]

Archer and Tyler, 1976
Archer, W.H.; Tyler, B.J., Self-heating in the decomposition of 3-methyl-3-chlorodiazirine: Determination of reaction exothermicity and correction of Arrhenius parameters, J. Chem. Soc. Faraday Trans. 1, 1976, 72, 1448-1455. [all data]

Levanova, Treger, et al., 1976
Levanova, S.V.; Treger, Yu.A.; Velichko, S.M.; Rozhnov, A.M., Equilibria in the reactions of vinyl chloride, Russ. J. Phys. Chem. (Engl. Transl.), 1976, 50, 1148. [all data]

Sheng, Qi, et al., 1995
Sheng, L.; Qi, F.; Tao, L.; Zhang, Y.; Yu, S.; Wong, C.-K.; Li, W.-K., Experimental and theoretical studies of the photoionization and dissociative photoionization of vinyl chloride, Int. J. Mass Spectrom. Ion Processes, 1995, 148, 179. [all data]

Reinke, Kraessig, et al., 1973
Reinke, D.; Kraessig, R.; Baumgartel, H., Photoreactions of small organic molecules, Z. Naturforsch. A:, 1973, 28, 1021. [all data]

Mines and Thompson, 1973
Mines, G.W.; Thompson, H.W., Photoelectron spectra of vinyl and allyl halides, Spectrochim. Acta Part A, 1973, 29, 1377. [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]

Sood and Watanabe, 1966
Sood, S.P.; Watanabe, K., Absorption and ionization coefficients of vinyl chloride, J. Chem. Phys., 1966, 45, 2913. [all data]

Momigny, 1963
Momigny, J., Ionization potentials and the structures of the photo-ionization yield curves of ethylene and its halogeno derivatives, Nature, 1963, 199, 1179. [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]

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]

Walsh, 1945
Walsh, A.D., The absorption spectra of the chloro ethylenes in the vacuum ultra-violet, J. Chem. Soc. Faraday Trans., 1945, 41, 35. [all data]

Cambi, Ciullo, et al., 1983
Cambi, R.; Ciullo, G.; Sgamellotti, A.; Tarantelli, F.; Fantoni, R.; Giardini-Guidoni, A.; McCarthy, I.E.; di Martino, V., An (e,2e) spectroscopic investigation and a Green's Function Study of the ionization of chloro- and bromoethylene, Chem. Phys. Lett., 1983, 101, 477. [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]

Hughes, Tiernan, et al., 1969
Hughes, B.M.; Tiernan, T.O.; Futrell, J.H., Ionic reactions in unsaturated compounds. IV. Vinyl chloride, J. Phys. Chem., 1969, 73, 829. [all data]

Finney and Harrison, 1972
Finney, C.D.; Harrison, A.G., A third-derivative method for determining electron-impact onset potentials, Int. J. Mass Spectrom. Ion Phys., 1972, 9, 221. [all data]

Lossing, 1971
Lossing, F.P., Free radicals by mass spectrometry. XLIII. Ionization potentials and ionic heats of formation for vinyl, allyl, and benzyl radicals, Can. J. Chem., 1971, 49, 357. [all data]

Hively and Hinton, 1968
Hively, R.A.; Hinton, R.E., Variation of the retention index with temperature on squalane substrates, J. Gas Chromatogr., 1968, 6, 4, 203-217, https://doi.org/10.1093/chromsci/6.4.203 . [all data]

Villalobos, 1995
Villalobos, R., A window diagram for key component analysis in on-line gas chromatography, J. Hi. Res. Chromatogr., 1995, 18, 6, 343-347, https://doi.org/10.1002/jhrc.1240180604 . [all data]

Zenkevich, 2005
Zenkevich, I.G., Experimentally measured retention indices., 2005. [all data]

Health Safety Executive, 2000
Health Safety Executive, MDHS 96 Volatile organic compounds in air - Laboratory method using pumed solid sorbent tubes, solvent desorption and gas chromatography in Methods for the Determination of Hazardous Substances (MDHS) guidance, Crown, Colegate, Norwich, 2000, 1-24, retrieved from http://www.hse.gov.uk/pubns/mdhs/pdfs/mdhs96.pdf. [all data]

Zenkevich and Chupalov, 1996
Zenkevich, I.G.; Chupalov, A.A., New Possibilities of Chromato Mass Pectrometric Identification of Organic Compounds Using Increments of Gas Chromatographic Retention Indices of Molecular Structural Fragments, Zh. Org. Khim. (Rus.), 1996, 32, 5, 656-666. [all data]

Ramsey and Flanagan, 1982
Ramsey, J.D.; Flanagan, R.J., Detection and Identification of Volatile Organic Compounds in Blood by Headspace Gas Chromatography as an Aid to the Diagnosis of Solvent Abuse, J. Chromatogr., 1982, 240, 2, 423-444, https://doi.org/10.1016/S0021-9673(00)99622-5 . [all data]


Notes

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Gas Chromatography, References