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
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Data at other public NIST sites:
- Options:
Data at NIST subscription sites:
NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.
Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry 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 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 |
---|---|---|---|---|---|
ΔfH°gas | 5.3 ± 0.7 | kcal/mol | Review | Manion, 2002 | weighted average of several measurements; DRB |
ΔfH°gas | 7.0 | kcal/mol | Eqk | Levanova, Treger, et al., 1976 | ALS |
ΔfH°gas | 5.0 | kcal/mol | Eqk | Alfassi, Golden, et al., 1973 | Heat of reaction not reported; ALS |
ΔfH°gas | 8.43 ± 0.33 | kcal/mol | Cm | Lacher, Gottlieb, et al., 1962 | Reanalyzed by Cox and Pilcher, 1970, Original value = 8.07 ± 0.28 kcal/mol; ALS |
ΔfH°gas | 9.10 ± 0.20 | kcal/mol | Chyd | Lacher, Emery, et al., 1956 | Reanalyzed 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
Go To: Top, Gas phase thermochemistry 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 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 |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, 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 |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase 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]
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]
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, Gas phase ion energetics data, 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 ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.