Ethene, chloro-

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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
Δfgas5.3 ± 0.7kcal/molReviewManion, 2002weighted average of several measurements; DRB
Δfgas7.0kcal/molEqkLevanova, Treger, et al., 1976ALS
Δfgas5.0kcal/molEqkAlfassi, Golden, et al., 1973Heat of reaction not reported; ALS
Δfgas8.43 ± 0.33kcal/molCmLacher, Gottlieb, et al., 1962Reanalyzed by Cox and Pilcher, 1970, Original value = 8.07 ± 0.28 kcal/mol; ALS
Δfgas9.10 ± 0.20kcal/molChydLacher, Emery, et al., 1956Reanalyzed by Cox and Pilcher, 1970, Original value = 8.9 ± 0.2 kcal/mol; At 298 K, see Lacher, Kianpour, et al., 1956; ALS

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

Quantity Value Units Method Reference Comment
Δfliquid0.2 ± 0.76kcal/molReviewManion, 2002derived from recommended ΔfHgas° and ΔvapH°; DRB
Quantity Value Units Method Reference Comment
liquid28.20cal/mol*KN/ALebedev, Rabinovich, et al., 1967DH

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
21.38298.15Lebedev, Rabinovich, et al., 1967T = 58 to 300 K.; DH

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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
DRB - Donald R. Burgess, Jr.
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil259.45KN/ADreisbach and Martin, 1949Uncertainty assigned by TRC = 0.2 K; TRC
Tboil259.05KN/AStull, 1946Uncertainty assigned by TRC = 0.4 K; TRC
Tboil259.3KN/ADana, Burdick, et al., 1927Uncertainty assigned by TRC = 0.2 K; TRC
Quantity Value Units Method Reference Comment
Tfus94.43KN/AMcDonald, Shrader, et al., 1959Uncertainty assigned by TRC = 0.1 K; TRC
Tfus119.36KN/ADreisbach, 1955Uncertainty assigned by TRC = 0.02 K; TRC
Tfus113.5KN/ADana, Burdick, et al., 1927Uncertainty assigned by TRC = 0.2 K; TRC
Quantity Value Units Method Reference Comment
Ttriple119.31KN/ALebedev, Rabinovich, et al., 1967, 2Uncertainty assigned by TRC = 0.02 K; TRC
Quantity Value Units Method Reference Comment
Δvap5.0 ± 0.2kcal/molReviewManion, 2002derived from vapor pressure data of Dana, Burdick, et al., 1927 plus a correction for non-ideality; DRB

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
5.57245.AStephenson and Malanowski, 1987Based on data from 209. to 260. K. See also McDonald, Shrader, et al., 1959, 2 and Dykyj, 1970.; AC
5.43265.N/ADanov and Golubev, 1967Based on data from 243. to 288. K.; AC
5.47258.N/AHaccuria and Mathieu, 1967Based on data from 213. to 273. K.; 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
165.3 to 259.43.98027892.757-35.051McDonald, Shrader, et al., 1959, 2

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Reference Comment
1.175119.31Lebedev, Rabinovich, et al., 1967DH
1.18119.3Domalski and Hearing, 1996AC

Entropy of fusion

ΔfusS (cal/mol*K) Temperature (K) Reference Comment
9.85119.31Lebedev, Rabinovich, et al., 1967DH

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:


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, 1,2-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

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 Comment
0.0393100.LN/A 
0.044 QN/A missing citation give several references for the Henry's law constants but don't assign them to specific species.
0.0402900.XN/A 
0.0383300.MGossett, 1987 
0.00094 VN/A 
0.043 VN/A 
0.0463000.LN/A 
0.018 VN/A 
0.00082 MPearson and McConnell, 1975The same data was also published in missing citation. Value at T = 283. K.

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:
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

IR Spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Mass spectrum (electron ionization), References, Notes

Data compiled by: Coblentz Society, Inc.

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


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, 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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin THE M.W. KELLOGG CO., JERSEY CITY, N.J., USA
NIST MS number 35018

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References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), 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]

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]

Alfassi, Golden, et al., 1973
Alfassi, Z.B.; Golden, D.M.; Benson, S.W., The thermochemistry of the isomerization of 3-halopropenes (allyl halides) to 1-halopropenes; entropy and enthalpy of formation contribution of the Cd-(H)(X) group, J. Chem. Thermodyn., 1973, 5, 411-420. [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]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [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]

Lebedev, Rabinovich, et al., 1967
Lebedev, B.V.; Rabinovich, I.B.; Budarina, V.A., Heat capacity of vinyl chloride, polyvinylchloride and polyvinylidene chloride in the region of 60-300°K, Polymer Sci., 1967, USSR 9A, 545-552. [all data]

Dreisbach and Martin, 1949
Dreisbach, R.R.; Martin, R.A., Physical Data on Some Organic Compounds, Ind. Eng. Chem., 1949, 41, 2875-8. [all data]

Stull, 1946
Stull, D.R., Anal. Chem., 1946, 18, 234. [all data]

Dana, Burdick, et al., 1927
Dana, L.I.; Burdick, J.N.; Jenkins, A.C., SOME PHYSICAL PROPERTIES OF VINYL CHLORIDE, J. Am. Chem. Soc., 1927, 49, 11, 2801, https://doi.org/10.1021/ja01410a021 . [all data]

McDonald, Shrader, et al., 1959
McDonald, R.A.; Shrader, S.A.; Stull, D.R., Vapor Pressures and Freezing Points of 30 Organics, J. Chem. Eng. Data, 1959, 4, 311. [all data]

Dreisbach, 1955
Dreisbach, R.R., Physical Properties of Chemical Compounds, Advances in Chemistry Series No. 15, Am. Chem. Soc.: Washington, D. C., 1955. [all data]

Lebedev, Rabinovich, et al., 1967, 2
Lebedev, B.V.; Rabinovich, I.B.; Budarina, V.A., Heat Capacity of vinyl chloride, polyvinylchloride and polyvinylidene chloride in the region of 60-300 K, Polym. Sci. USSR (Engl. Transl.), 1967, 9, 545. [all data]

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]

McDonald, Shrader, et al., 1959, 2
McDonald, R.A.; Shrader, S.A.; Stull, D.R., Vapor Pressures and Freezing Points of Thirty Pure Organic Compounds., J. Chem. Eng. Data, 1959, 4, 4, 311-313, https://doi.org/10.1021/je60004a009 . [all data]

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

Danov and Golubev, 1967
Danov, S.M.; Golubev, Y.D., Tr. Khim. Khim. Tekhnol, 1967, 52. [all data]

Haccuria and Mathieu, 1967
Haccuria, M.; Mathieu, M.P., Ind. Chim. Belg., 1967, 32, 165. [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]

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]

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]

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]

Gossett, 1987
Gossett, J.M., Measurement of Henry's Law Constants for C1 and C2 Chlorinated Hydrocarbons, Environ. Sci. Technol., 1987, 21, 202-208. [all data]

Pearson and McConnell, 1975
Pearson, C.R.; McConnell, G., Chlorinated C1 and C2 Hydrocarbons in the Marine Environment, Proc. R. Soc. London, B, 1975, 189, 305-332. [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]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), References