Ethene, 1,1-dichloro-
- Formula: C2H2Cl2
- Molecular weight: 96.943
- IUPAC Standard InChIKey: LGXVIGDEPROXKC-UHFFFAOYSA-N
- CAS Registry Number: 75-35-4
- 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, 1,1-dichloro-; Vinylidene chloride; 1,1-Dichloroethene; 1,1-Dichloroethylene; CH2=CCl2; Chlorure de vinylidene; 1,1-DCE; NCI-C54262; Rcra waste number U078; VDC; Vinylidene dichloride; Vinylidine chloride; 1,1-dichloroethylene (vinylidine chloride); 1,1-dichloroethylene (vinylidene chloride)
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, Henry's Law 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.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | 0.6 ± 0.5 | kcal/mol | Review | Manion, 2002 | derived from recommended ΔfHliquid° and ΔvapH°; DRB |
ΔfH°gas | 0.53 ± 0.33 | kcal/mol | Ccr | Mansson, Ringner, et al., 1971 | 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.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°liquid | -5.8 ± 0.5 | kcal/mol | Review | Manion, 2002 | weighted average of several measurements; DRB |
ΔfH°liquid | -5.81 ± 0.33 | kcal/mol | Ccr | Mansson, Ringner, et al., 1971 | ALS |
ΔfH°liquid | -6.0 ± 0.3 | kcal/mol | Ccb | Sinke and Stull, 1958 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -261.94 ± 0.33 | kcal/mol | Ccr | Mansson, Ringner, et al., 1971 | ALS |
ΔcH°liquid | -261.93 | kcal/mol | Ccb | Sinke and Stull, 1958 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 48.169 | cal/mol*K | N/A | Hildenbrand, McDonald, et al., 1959 | DH |
Constant pressure heat capacity of liquid
Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
26.599 | 298.15 | Hildenbrand, McDonald, et al., 1959 | T = 13 to 290 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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 304.2 | K | N/A | Aldrich Chemical Company Inc., 1990 | BS |
Tboil | 304.55 | K | N/A | Kovac, Svoboda, et al., 1985 | Uncertainty assigned by TRC = 0.2 K; TRC |
Tboil | 304.7 | K | N/A | Majer and Svoboda, 1985 | |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 150.59 | K | N/A | Hildenbrand, McDonald, et al., 1959, 2 | Uncertainty assigned by TRC = 0.02 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 6.391 | kcal/mol | N/A | Majer and Svoboda, 1985 | |
ΔvapH° | 6.39 ± 0.02 | kcal/mol | Review | Manion, 2002 | derived from vapor pressure data of Hildebranld, Kramer, et al., 1959 plus a correction for non-ideality; DRB |
ΔvapH° | 6.33 ± 0.02 | kcal/mol | C | Mansson, Ringner, et al., 1971 | ALS |
ΔvapH° | 6.328 ± 0.020 | kcal/mol | V | Hildenbrand, McDonald, et al., 1959 | ALS |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
6.248 | 304.7 | N/A | Majer and Svoboda, 1985 | |
6.3279 | 298.15 | N/A | Hildenbrand, McDonald, et al., 1959 | P = 80.03 kPa; DH |
6.79 | 260. | A | Stephenson and Malanowski, 1987 | Based on data from 245. to 305. K. See also Hildenbrand and McDonald, 1959 and Dykyj, 1970.; AC |
Entropy of vaporization
ΔvapS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
21.22 | 298.15 | Hildenbrand, McDonald, et al., 1959 | P; DH |
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 | Comment |
---|---|---|---|---|---|
244.79 to 305.7 | 4.1021 | 1104.726 | -35.403 | Hildenbrand, McDonald, et al., 1959 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
1.557 | 150.59 | Hildenbrand, McDonald, et al., 1959 | DH |
1.56 | 150.9 | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
10.34 | 150.59 | Hildenbrand, McDonald, et al., 1959 | DH |
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) = k°H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
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)
k°H (mol/(kg*bar)) | d(ln(kH))/d(1/T) (K) | Method | Reference | Comment |
---|---|---|---|---|
0.034 | 4000. | L | N/A | |
0.037 | 3100. | X | N/A | |
0.043 | Q | N/A | missing citation give several references for the Henry's law constants but don't assign them to specific species. | |
0.034 | 4500. | X | N/A | |
0.037 | 2900. | X | N/A | |
0.039 | 3700. | M | Gossett, 1987 | |
0.065 | 1200. | X | N/A | |
0.027 | 4600. | X | Leighton and Calo, 1981 | |
0.0076 | L | N/A | ||
0.014 | 6600. | X | N/A | |
0.0052 | V | N/A | ||
0.0061 | V | N/A | Value at T = 293. K. | |
0.0065 | M | Pearson and McConnell, 1975 | The same data was also published in missing citation. Value at T = 293. 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:
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
B - John E. Bartmess
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 9.81 ± 0.04 | eV | N/A | N/A | L |
Electron affinity determinations
EA (eV) | Method | Reference | Comment |
---|---|---|---|
0.099999 | ECD | Wiley, Chen, et al., 1991 | B |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
9.83 | PE | Lake and Thompson, 1970 | RDSH |
9.74 | PE | Jonathan, Ross, et al., 1970 | RDSH |
9.86 | S | Walsh, Warsop, et al., 1968 | RDSH |
9.79 | PI | Bralsford, Harris, et al., 1960 | RDSH |
10.0 | PE | Von Niessen, Asbrink, et al., 1982 | Vertical value; LBLHLM |
9.99 ± 0.02 | PE | Bunzli, Frost, et al., 1976 | Vertical value; LLK |
10.00 | PE | Wittel and Bock, 1974 | Vertical value; LLK |
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law 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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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 | NIST Mass Spectrometry Data Center, 1990. |
NIST MS number | 114911 |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law 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]
Mansson, Ringner, et al., 1971
Mansson, M.; Ringner, B.; Sunner, S.,
The enthalpies of combustion and formation of some simple chloroalkanes and chloralkenes 1,1,1-trichloroethane and 1,1-dichloroethene,
J. Chem. Thermodyn., 1971, 3, 547-551. [all data]
Sinke and Stull, 1958
Sinke, G.C.; Stull, D.R.,
Heats of combustion of some organic compounds containing chlorine,
J. Phys. Chem., 1958, 62, 397-401. [all data]
Hildenbrand, McDonald, et al., 1959
Hildenbrand, d.L.; McDonald, R.A.; Kramer, W.R.; Stull, D.R.,
Thermodynamic and spectroscopic study of vinylidene chloride. I. Thermodynamic properties of the solid, liquid, and ideal gas,
J. Chem. Phys., 1959, 30, 930-934. [all data]
Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc.,
Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]
Kovac, Svoboda, et al., 1985
Kovac, A.; Svoboda, J.; Ondrus, I.,
Vapor-liquid equilibrium of some binary systems containing 1,1-dichloroethylene,
Chem. Zvesti, 1985, 39, 6, 729. [all data]
Majer and Svoboda, 1985
Majer, V.; Svoboda, V.,
Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [all data]
Hildenbrand, McDonald, et al., 1959, 2
Hildenbrand, D.L.; McDonald, R.A.; Kramer, W.R.; Stull, D.R.,
Thermodyn. and spectroscopic study of vinylidene chloride. I. Thermodyn. properties of the solid, liquid, and ideal gas,
J. Chem. Phys., 1959, 30, 930-4. [all data]
Hildebranld, Kramer, et al., 1959
Hildebranld, D.L.; Kramer, W.K.; McDonald, R.A.; Stull, D.R.,
Thermodynamic and Spectroscopic Study of Vinylidene Chloride. I. Thermodynamic Properties of the Solid, Liquid, and Ideal Gas,
J. Chem. Phys., 1959, 30, 4, 930, https://doi.org/10.1063/1.1730128
. [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]
Hildenbrand and McDonald, 1959
Hildenbrand, D.L.; McDonald, R.A.,
The Heat of Vaporization and Vapor Pressure of Carbon Tetrachloride; The Entropy from Calorimetric Data.,
J. Phys. Chem., 1959, 63, 9, 1521-1522, https://doi.org/10.1021/j150579a053
. [all data]
Dykyj, 1970
Dykyj, J.,
Petrochemica, 1970, 10, 2, 51. [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]
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]
Leighton and Calo, 1981
Leighton, D.T.; Calo, J.M.,
Distribution Coefficients of Chlorinated Hydrocarbons in Dilute Air-Water Systems for Groundwater Contamination Applications,
J. Chem. Eng. Data, 1981, 26, 382-385. [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]
Wiley, Chen, et al., 1991
Wiley, J.R.; Chen, E.C.M.; Chen, E.S.D.; Richardson, P.; Reed, W.R.; Wentworth, W.E.,
The Determination of Absolute Electron Affinities of Chlorobenzenes, Chloronaphthalenes and Chlorinated Biphenyls from Reduction Potentials,
J. Electroanal. Chem. Interfac., 1991, 307, 1-2, 169, https://doi.org/10.1016/0022-0728(91)85546-2
. [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]
Jonathan, Ross, et al., 1970
Jonathan, N.; Ross, K.; Tomlinson, V.,
The photoelectron spectra of dichloroethylenes,
Intern. J. Mass Spectrom. Ion Phys., 1970, 4, 51. [all data]
Walsh, Warsop, et al., 1968
Walsh, A.D.; Warsop, P.A.; Whiteside, J.A.B.,
Ultra-violet absorption spectrum of 1,1-dichloro ethylene,
J. Chem. Soc. Faraday Trans., 1968, 64, 1432. [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]
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]
Bunzli, Frost, et al., 1976
Bunzli, J.C.; Frost, D.C.; Herring, F.G.; McDowell, C.A.,
Assignment of the doublet states arising from ionization of chlorine lone-pairs in molecules possessing C2v symmetry,
J. Electron Spectrosc. Relat. Phenom., 1976, 9, 289. [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]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics data, Mass spectrum (electron ionization), References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid EA Electron affinity IE (evaluated) Recommended ionization energy S°liquid Entropy of liquid at standard conditions Tboil Boiling point Ttriple Triple point temperature d(ln(kH))/d(1/T) Temperature dependence parameter for Henry's Law constant k°H Henry's Law constant at 298.15K ΔcH°liquid Enthalpy of combustion 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 ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions ΔvapS Entropy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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