Ethene, chloro-

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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.
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

Go To: Top, Condensed phase thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), References, Notes

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:


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

Mass spectrum (electron ionization)

Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, 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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Mass spectrum
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Additional Data

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Owner NIST Mass Spectrometry Data Center
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, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, 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]

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]

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, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), References