Ethene, chloro-
- Formula: C2H3Cl
- Molecular weight: 62.498
- IUPAC Standard InChIKey: BZHJMEDXRYGGRV-UHFFFAOYSA-N
- CAS Registry Number: 75-01-4
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Ethylene, chloro-; Chloroethene; Chloroethylene; Monochloroethylene; Vinyl chloride; Vinyl chloride monomer; Vinyl C monomer; C2H3Cl; Ethylene monochloride; Monochloroethene; Chlorethene; Chlorethylene; Chlorure de vinyle; Cloruro di vinile; Rcra waste number U043; Trovidur; UN 1086; VC; VCM; Vinylchlorid; Vinyle(chlorure de); Winylu chlorek
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Condensed phase thermochemistry data
Go To: Top, Phase change 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:
DRB - Donald R. Burgess, Jr.
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°liquid | 0.2 ± 0.76 | kcal/mol | Review | Manion, 2002 | derived from recommended ΔfHgas° and ΔvapH°; DRB |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 28.20 | cal/mol*K | N/A | Lebedev, Rabinovich, et al., 1967 | DH |
Constant pressure heat capacity of liquid
Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
21.38 | 298.15 | Lebedev, Rabinovich, et al., 1967 | T = 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 |
---|---|---|---|---|---|
Tboil | 259.45 | K | N/A | Dreisbach and Martin, 1949 | Uncertainty assigned by TRC = 0.2 K; TRC |
Tboil | 259.05 | K | N/A | Stull, 1946 | Uncertainty assigned by TRC = 0.4 K; TRC |
Tboil | 259.3 | K | N/A | Dana, Burdick, et al., 1927 | Uncertainty assigned by TRC = 0.2 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 94.43 | K | N/A | McDonald, Shrader, et al., 1959 | Uncertainty assigned by TRC = 0.1 K; TRC |
Tfus | 119.36 | K | N/A | Dreisbach, 1955 | Uncertainty assigned by TRC = 0.02 K; TRC |
Tfus | 113.5 | K | N/A | Dana, Burdick, et al., 1927 | Uncertainty assigned by TRC = 0.2 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 119.31 | K | N/A | Lebedev, Rabinovich, et al., 1967, 2 | Uncertainty assigned by TRC = 0.02 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 5.0 ± 0.2 | kcal/mol | Review | Manion, 2002 | derived 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 |
---|---|---|---|---|
5.57 | 245. | A | Stephenson and Malanowski, 1987 | Based on data from 209. to 260. K. See also McDonald, Shrader, et al., 1959, 2 and Dykyj, 1970.; AC |
5.43 | 265. | N/A | Danov and Golubev, 1967 | Based on data from 243. to 288. K.; AC |
5.47 | 258. | N/A | Haccuria and Mathieu, 1967 | Based 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 259.4 | 3.98027 | 892.757 | -35.051 | McDonald, Shrader, et al., 1959, 2 |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
1.175 | 119.31 | Lebedev, Rabinovich, et al., 1967 | DH |
1.18 | 119.3 | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
9.85 | 119.31 | Lebedev, Rabinovich, et al., 1967 | DH |
Gas phase ion energetics data
Go To: Top, Condensed phase thermochemistry data, Phase change 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 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 ± 0.02 | eV | N/A | N/A | L |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
9.98 ± 0.02 | PI | Sheng, Qi, et al., 1995 | LL |
9.99 ± 0.02 | PI | Reinke, Kraessig, et al., 1973 | LLK |
10.01 | PE | Mines and Thompson, 1973 | LLK |
10.00 | PE | Lake and Thompson, 1970 | RDSH |
10.00 ± 0.01 | PI | Sood and Watanabe, 1966 | RDSH |
10.00 ± 0.01 | S | Sood and Watanabe, 1966 | RDSH |
10.00 ± 0.02 | PI | Momigny, 1963 | RDSH |
10.0 ± 0.01 | PI | Watanabe, Nakayama, et al., 1962 | RDSH |
9.995 | PI | Bralsford, Harris, et al., 1960 | RDSH |
10.00 ± 0.01 | S | Walsh, 1945 | RDSH |
10.2 | PE | Cambi, Ciullo, et al., 1983 | Vertical value; LBLHLM |
10.2 | PE | Von Niessen, Asbrink, et al., 1982 | Vertical value; LBLHLM |
10.15 | PE | Wittel and Bock, 1974 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
C2H2+ | 12.5 ± 0.1 | HCl | PI | Reinke, Kraessig, et al., 1973 | LLK |
C2H2+ | 13.8 ± 0.3 | HCl | EI | Hughes, Tiernan, et al., 1969 | RDSH |
C2H2Cl+ | 14.90 ± 0.05 | H | PI | Sheng, Qi, et al., 1995 | LL |
C2H3+ | 12.54 ± 0.02 | Cl | PI | Sheng, Qi, et al., 1995 | LL |
C2H3+ | 12.48 ± 0.04 | Cl | PI | Reinke, Kraessig, et al., 1973 | LLK |
C2H3+ | 12.56 ± 0.09 | Cl | EI | Finney and Harrison, 1972 | LLK |
C2H3+ | 12.5 | Cl | EI | Lossing, 1971 | LLK |
H+ | 18.63 ± 0.05 | C2H2Cl | PI | Sheng, Qi, et al., 1995 | LL |
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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Additional Data
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Due to licensing restrictions, this spectrum cannot be downloaded.
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 |
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
- Symbols used in this document:
AE Appearance energy Cp,liquid Constant pressure heat capacity of liquid IE (evaluated) Recommended ionization energy S°liquid Entropy of liquid at standard conditions Tboil Boiling point Tfus Fusion (melting) point Ttriple Triple point temperature ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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