Ethylene, 1,2-dichloro-, (Z)-
- Formula: C2H2Cl2
- Molecular weight: 96.943
- IUPAC Standard InChIKey: KFUSEUYYWQURPO-UPHRSURJSA-N
- CAS Registry Number: 156-59-2
- 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. - Stereoisomers:
- Other names: Ethene, 1,2-dichloro-, (Z)-; (Z)-1,2-Dichloroethylene; cis-Di-1,2-Chloroethylene; cis-Dichloroethylene; cis-1,2-Dichloroethene; cis-1,2-Dichloroethylene; 1,2-cis-Dichloroethylene; (Z)-CHCl=CHCl; (Z)-1,2-Dichloroethene; 1,2-cis-Dichloroethene; Acetylene dichloride, cis-; 1,cis-2-Dichloroethene; Ethylene, 1,2-dichloro-, cis-; Ethene, 1,2-dichloro-, (1Z)-; HCC 1130c; R 1130c
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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 | -0.7 ± 0.5 | kcal/mol | Review | Manion, 2002 | based on measurements by 1974RLV of equilbrium with 1,1-dichloroethane; DRB |
ΔfH°gas | 1.02 | kcal/mol | Eqk | Rozhnov, Levanova, et al., 1974 | ALS |
ΔfH°gas | 0.8 | kcal/mol | Cm | Kirkbride, 1956 | Heat of chlorination; 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 | -8.15 ± 0.53 | kcal/mol | Review | Manion, 2002 | derived from recommended ΔfHgas° and ΔvapH°; DRB |
ΔfH°liquid | -6.8 | kcal/mol | Cm | Kirkbride, 1956 | Heat of chlorination; ALS |
ΔfH°liquid | -3.289 | kcal/mol | Eqk | Pitzer and Hollenberg, 1954 | Heat of isomerization at 0K; ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -261.4 ± 2.0 | kcal/mol | Ccb | Smith, Bjellerup, et al., 1953 | Reanalyzed by Cox and Pilcher, 1970, Original value = -261. ± 2. kcal/mol; ALS |
Constant pressure heat capacity of liquid
Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
27.20 | 288. | Mehl, 1934 | 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
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 333.5 | K | N/A | Weast and Grasselli, 1989 | BS |
Tboil | 333.5 | K | N/A | Amaya, 1961 | Uncertainty assigned by TRC = 0.4 K; TRC |
Tboil | 333.2 | K | N/A | Andrews and Keefer, 1951 | Uncertainty assigned by TRC = 0.6 K; TRC |
Tboil | 333.5 | K | N/A | Maryott, Hobbs, et al., 1941 | Uncertainty assigned by TRC = 0.3 K; TRC |
Tboil | 333.0 | K | N/A | Awbery and Griffiths, 1936 | Uncertainty assigned by TRC = 2. K; estimate based on distillation curve; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 193. | K | N/A | Broers, Ketelaar, et al., 1950 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.1 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 7.4 ± 0.2 | kcal/mol | Review | Manion, 2002 | adopted Cox and Pilcher, 1970, 2 recommendation plus a correction for non-ideality; DRB |
ΔvapH° | 7.385 | kcal/mol | V | Ketelaar, Van Velden, et al., 1947 | ALS |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
7.60 | 288. | N/A | Ketelaar, van Velden, et al., 2010 | Based on data from 273. to 356. K.; AC |
7.00 | 347. | A | Stephenson and Malanowski, 1987 | Based on data from 332. to 495. K.; AC |
7.53 | 288. | A | Stephenson and Malanowski, 1987 | Based on data from 273. to 334. K. See also Dykyj, 1970.; AC |
7.55 | 307. | N/A | Flom, Alpert, et al., 1951 | Based on data from 292. to 335. 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 | Comment |
---|---|---|---|---|---|
273.91 to 356.78 | 4.0633 | 1163.729 | -47.174 | Ketelaar, van Velden, et al., 1947 | Coefficents calculated by NIST from author's data. |
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 |
---|---|---|---|---|
0.24 | 3900. | L | N/A | |
0.26 | 3400. | X | N/A | |
0.24 | 3800. | M | N/A | |
0.23 | 4000. | X | N/A | |
0.13 | Q | N/A | missing citation give several references for the Henry's law constants but don't assign them to specific species. | |
0.25 | 4200. | X | N/A | |
0.21 | 3100. | X | N/A | |
0.27 | 4200. | M | Gossett, 1987 | |
0.13 | L | N/A | ||
0.22 | 4100. | X | N/A | |
0.13 | V | N/A | ||
0.30 | V | N/A |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law 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:
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
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 9.66 ± 0.01 | eV | N/A | N/A | L |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
9.65 | PE | Lake and Thompson, 1970 | RDSH |
9.68 | PE | Jonathan, Ross, et al., 1970 | RDSH |
9.66 | S | Walsh and Warsop, 1968 | RDSH |
9.65 ± 0.01 | PI | Watanabe, Nakayama, et al., 1962 | RDSH |
9.66 ± 0.02 | PI | Momigny, 1960 | RDSH |
9.65 | PI | Bralsford, Harris, et al., 1960 | RDSH |
9.8 | PE | Von Niessen, Asbrink, et al., 1982 | Vertical value; LBLHLM |
9.80 | PE | Wittel and Bock, 1974 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
C2HCl+ | 13.27 ± 0.05 | HCl | EI | Momigny, 1961 | RDSH |
C2H2Cl+ | 12.29 ± 0.05 | Cl | EI | Momigny, 1961 | RDSH |
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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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 | NIST Mass Spectrometry Data Center, 1998. |
NIST MS number | 291425 |
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]
Rozhnov, Levanova, et al., 1974
Rozhnov, A.M.; Levanova, S.V.; Dvornikova, G.A.; Sadovnikova, S.L.,
Equilibrium of isomerization of dichloroethylenes,
J. Appl. Chem. USSR, 1974, 47, 667-669. [all data]
Kirkbride, 1956
Kirkbride, F.W.,
The heats of chlorination of some hydrocarbons and their chloro-derivatives,
J. Appl. Chem., 1956, 6, 11-21. [all data]
Pitzer and Hollenberg, 1954
Pitzer, K.S.; Hollenberg, J.L.,
Cis- and trans-dichloroethylenes. The infrared spectra from 130-400 cm.-1 and the thermodynamic properties,
J. Am. Chem. Soc., 1954, 76, 1493-1496. [all data]
Smith, Bjellerup, et al., 1953
Smith, L.; Bjellerup, L.; Krook, S.; Westermark, H.,
Heats of combustion of organic chloro compounds determined by the "quartz wool" method,
Acta Chem. Scand., 1953, 7, 65. [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]
Mehl, 1934
Mehl, W.,
Die spezifische Wärme einiger flüssiger Kältemittel,
Z. ges. Kalte-Ind., 1934, 41, 152-153. [all data]
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]
Amaya, 1961
Amaya, K.,
Thermodynamical studies on bionary systems consisting of polar and non-polar liquids. II. the measurement of the heats of mixing for binary systems of polar and non-polar liquids,
Bull. Chem. Soc. Jpn., 1961, 34, 1278. [all data]
Andrews and Keefer, 1951
Andrews, L.J.; Keefer, R.M.,
The Argentation of Organic Iodides,
J. Am. Chem. Soc., 1951, 73, 5733-5736. [all data]
Maryott, Hobbs, et al., 1941
Maryott, A.A.; Hobbs, M.E.; Gross, P.M.,
Bond Moment Additivity and the Electric Moments of Some Halogenated Hydrocarbons,
J. Am. Chem. Soc., 1941, 63, 659. [all data]
Awbery and Griffiths, 1936
Awbery, J.H.; Griffiths, E.,
The Viscosities of Some Liquid Refrigerants,
Proc. Phys. Soc. London, 1936, 48, 372-80. [all data]
Broers, Ketelaar, et al., 1950
Broers, G.H.J.; Ketelaar, J.A.A.; Van Velden, P.F.,
Melting-point Diagram and Hets of Fusion of cis- and trans-1,2-Dichloro-ethene,
Recl. Trav. Chim. Pays-Bas, 1950, 69, 1122. [all data]
Cox and Pilcher, 1970, 2
Cox, J.D.; Pilcher, G.,
Thermochemistry of Organic and Organometallic Compounds, Academic, London, 1970, 636. [all data]
Ketelaar, Van Velden, et al., 1947
Ketelaar, J.A.A.; Van Velden, P.F.; Zalm, P.,
Vapour pressures and heats of vaporization of cis- and trans-1,2-dichloroethene,
Rec. Trav. Chim. Pays/Bas, 1947, 66, 27. [all data]
Ketelaar, van Velden, et al., 2010
Ketelaar, J.A.A.; van Velden, P.F.; Zalm, P.,
Vapour pressures and heats of vaporization of cis- and trans-1,2-dichloroethene,
Recl. Trav. Chim. Pays-Bas, 2010, 66, 12, 721-732, https://doi.org/10.1002/recl.19470661202
. [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]
Dykyj, 1970
Dykyj, J.,
Petrochemica, 1970, 10, 2, 51. [all data]
Flom, Alpert, et al., 1951
Flom, Donald G.; Alpert, Norman; Elving, Philip J.,
Systems Involving cis-or trans-Dichloroethylene and an Acetal or Ether,
Ind. Eng. Chem., 1951, 43, 5, 1178-1181, https://doi.org/10.1021/ie50497a051
. [all data]
Ketelaar, van Velden, et al., 1947
Ketelaar, J.A.A.; van Velden, P.F.; Zalm, P.,
Vapour Pressures and Heats of Vaporization of cis- and trans-1,2-Dichloroethene,
Recl. Trav. Chim. Pays-Bas, 1947, 66, 12, 721-732, https://doi.org/10.1002/recl.19470661202
. [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]
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 and Warsop, 1968
Walsh, A.D.; Warsop, P.A.,
Ultra-violet absorption spectrum of cis-1,2-dichloro ethylene,
J. Chem. Soc. Faraday Trans., 1968, 64, 1418. [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]
Momigny, 1960
Momigny, J.,
Les potentials d'ionisation des dihalogenoethylenes cis et trans,
Bull. Classe Sci. Acad. Roy. Belg., 1960, 46, 686. [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]
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]
Momigny, 1961
Momigny, J.,
Comportement des dihalogenoethylenes cis et trans sous l'impact electronique,
Bull. Soc. Chim. Belges, 1961, 70, 241. [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:
AE Appearance energy Cp,liquid Constant pressure heat capacity of liquid IE (evaluated) Recommended ionization energy Tboil Boiling point Tfus Fusion (melting) point 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 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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