Ethylene, 1,2-dichloro-, (E)-
- Formula: C2H2Cl2
- Molecular weight: 96.943
- IUPAC Standard InChIKey: KFUSEUYYWQURPO-OWOJBTEDSA-N
- CAS Registry Number: 156-60-5
- 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-, (E)-; (E)-1,2-Dichloroethylene; trans-Di-1,2-Chloroethylene; trans-1,2-Dichloroethene; trans-1,2-Dichloroethylene; (E)-CHCl=CHCl; 1,2-trans-Dichloroethene; (E)-1,2-Dichloroethene; 1,2-trans-Dichloroethylene; trans-Acetylene dichloride; trans-Dichloroethylene; Dichloroethylene, trans-; 1,trans-2-Dichloroethene; Rcra waste number U079; Ethene, 1,2-dichloro-, (1E)-; Ethylene, 1,2-dichloro-, trans-; HCC 1130t; NSC 60512; R 1130t
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Phase change data
Go To: Top, Henry's Law data, Gas phase ion energetics data, Gas Chromatography, 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:
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 | 321. ± 2. | K | AVG | N/A | Average of 6 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 223. | 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° | 30. ± 1. | kJ/mol | Review | Manion, 2002 | adopted Cox and Pilcher, 1970 recommendation plus a correction for non-ideality; DRB |
ΔvapH° | 29.47 | kJ/mol | V | Ketelaar, Van Velden, et al., 1947 | ALS |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
31.4 | 250. | N/A | Ketelaar, van Velden, et al., 2010 | Based on data from 235. to 358. K.; AC |
29.0 | 336. | A | Stephenson and Malanowski, 1987 | Based on data from 321. to 473. K.; AC |
30.4 | 278. | A | Stephenson and Malanowski, 1987 | Based on data from 263. to 323. K. See also Dykyj, 1970.; AC |
30.1 | 288. | N/A | Machat, 1983 | Based on data from 273. to 319. K.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
View plot Requires a JavaScript / HTML 5 canvas capable browser.
Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
234.96 to 357.99 | 3.94214 | 1064.346 | -50.344 | Ketelaar, van Velden, et al., 1947 | Coefficents calculated by NIST from author's data. |
Henry's Law data
Go To: Top, Phase change data, Gas phase ion energetics data, Gas Chromatography, 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: 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 |
---|---|---|---|---|
0.090 | 4100. | L | N/A | |
0.099 | 3400. | M | N/A | |
0.098 | 3300. | X | N/A | |
0.097 | 4100. | X | N/A | |
0.11 | 3400. | X | N/A | |
0.10 | 4000. | M | N/A | |
0.11 | 4300. | X | N/A | |
0.15 | Q | N/A | missing citation give several references for the Henry's law constants but don't assign them to specific species. | |
0.085 | 4800. | X | N/A | |
0.10 | 3000. | X | N/A | |
0.11 | 4200. | M | Gossett, 1987 | |
0.19 | 1700. | X | N/A | |
0.15 | L | N/A | ||
0.070 | 5400. | X | N/A | |
0.15 | V | N/A | ||
0.15 | V | N/A |
Gas phase ion energetics data
Go To: Top, Phase change data, Henry's Law data, Gas Chromatography, 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) | 9.64 ± 0.02 | eV | N/A | N/A | L |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
9.64 | PE | Lake and Thompson, 1970 | RDSH |
9.69 | PE | Jonathan, Ross, et al., 1970 | RDSH |
~9.6 | S | Walsh and Warsop, 1967 | RDSH |
9.66 ± 0.03 | PI | Watanabe, Nakayama, et al., 1962 | RDSH |
9.64 ± 0.02 | PI | Momigny, 1960 | RDSH |
9.63 | 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 |
11.92 | PE | Katrib, Debies, et al., 1973 | Vertical value; LLK |
9.72 | PE | Bock and Wittel, 1972 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
C2HCl+ | 13.39 ± 0.05 | HCl | EI | Momigny, 1961 | RDSH |
C2H2Cl+ | 12.61 ± 0.05 | Cl | EI | Momigny, 1961 | RDSH |
Gas Chromatography
Go To: Top, 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
Kovats' RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | OV-1 | 100. | 558. | Castello and Gerbino, 1988 | He, Chromosorb W DMCS; Column length: 3. m |
Packed | OV-1 | 125. | 559. | Castello and Gerbino, 1988 | He, Chromosorb W DMCS; Column length: 3. m |
Packed | OV-1 | 75. | 557. | Castello and Gerbino, 1988 | He, Chromosorb W DMCS; Column length: 3. m |
Packed | Squalane | 80. | 555. | Pacáková, Vojtechová, et al., 1988 | N2, Chezasorb AW-HMDS; Column length: 1.2 m |
Kovats' RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | SP-1000 | 100. | 867.61 | Castello and Gerbino, 1988 | He, Chromosorb W DMCS; Column length: 3. m |
Packed | SP-1000 | 125. | 866.47 | Castello and Gerbino, 1988 | He, Chromosorb W DMCS; Column length: 3. m |
Packed | SP-1000 | 75. | 863.21 | Castello and Gerbino, 1988 | He, Chromosorb W DMCS; Column length: 3. m |
Normal alkane RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | DB-1 | 60. | 559. | Shimadzu, 2003 | 60. m/0.32 mm/1. μm, He |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | SE-54 | 528. | Huang, Liang, et al., 1996 | 36. m/0.25 mm/0.25 μm, 5. K/min; Tstart: 35. C; Tend: 240. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Polydimethyl siloxanes | 551. | Zenkevich, 2003 | Program: not specified |
Capillary | Methyl Silicone | 551. | Zenkevich, 2001 | Program: not specified |
Capillary | Polydimethyl siloxanes | 596. | Zenkevich and Chupalov, 1996 | Program: not specified |
Capillary | DB-5 | 567. | Sorimachi, Tanabe, et al., 1995 | He; Column length: 30. m; Program: not specified |
Normal alkane RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | DB-Wax | 60. | 870. | Shimadzu, 2003 | 50. m/0.32 mm/1. μm, He |
References
Go To: Top, Phase change data, Henry's Law data, Gas phase ion energetics data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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]
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]
Cox and Pilcher, 1970
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]
Machat, 1983
Machat, V.,
, Thesis, Utzcht, Prague, 1983. [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, 1967
Walsh, A.D.; Warsop, P.A.,
Ultra-violet absorption of trans-dichloro ethylene,
J. Chem. Soc. Faraday Trans., 1967, 63, 524. [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]
Katrib, Debies, et al., 1973
Katrib, A.; Debies, T.P.; Colton, R.J.; Lee, T.H.; Rabalais, J.W.,
The use of differential photoionization cross sections as a function of excitation energy in assigning photoelectron spectra,
Chem. Phys. Lett., 1973, 22, 196. [all data]
Bock and Wittel, 1972
Bock, H.; Wittel, K.,
Photoelectron spectra and molecular properties of trans-dihalogenoethylenes: substituent effects spin-orbit coupling,
J. Chem. Soc., Chem. Commun., 1972, 602. [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]
Castello and Gerbino, 1988
Castello, G.; Gerbino, T.C.,
Effect of Temperature on the Gas Chromatographic Separation of Halogenated Compounds on Polar and Non-Polar Stationary Phases,
J. Chromatogr., 1988, 437, 33-45, https://doi.org/10.1016/S0021-9673(00)90369-8
. [all data]
Pacáková, Vojtechová, et al., 1988
Pacáková, V.; Vojtechová, H.; Coufal, P.,
Reaction gas chromatography: study of the photodecomposition of halogenated hydrocarbons,
Chromatographia, 1988, 25, 7, 621-626, https://doi.org/10.1007/BF02327659
. [all data]
Shimadzu, 2003
Shimadzu,
Gas chromatography analysis of organic solvents using capillary columns (No. 3), 2003, retrieved from http://www.shimadzu.com/apps/form.cfm. [all data]
Huang, Liang, et al., 1996
Huang, C.; Liang, H.; Han, S.,
The analysis of organic compounds in waste water by gas extraction/thermal desorption/gas chromatography-mass spectrometry,
Chin. J. Chromatogr., 1996, 14, 6, 421-424. [all data]
Zenkevich, 2003
Zenkevich, I.G.,
Criteria for Evaluation of Elution Order of Isomeric Organic Compounds,
Zh. Phys. Khim. (Rus.), 2003, 77, 1, 92-98. [all data]
Zenkevich, 2001
Zenkevich, I.G.,
Comparative Characterization of Conditions for Unambuguous Chromatographic Identification of Organic Compounds,
Zh. Anal. Khim., 2001, 56, 9, 915-924. [all data]
Zenkevich and Chupalov, 1996
Zenkevich, I.G.; Chupalov, A.A.,
New Possibilities of Chromato Mass Pectrometric Identification of Organic Compounds Using Increments of Gas Chromatographic Retention Indices of Molecular Structural Fragments,
Zh. Org. Khim. (Rus.), 1996, 32, 5, 656-666. [all data]
Sorimachi, Tanabe, et al., 1995
Sorimachi, J.; Tanabe, A.; Mitobe, H.; Kuniaki, K.; Masaaki, S.,
Programmed temperature retention indices for volatile organic compounds on headspace GC/MS analysis,
Niigata-ken Eisei Kogai Kenkyusho Nenpo, 1995, 11, 75-79. [all data]
Notes
Go To: Top, Phase change data, Henry's Law data, Gas phase ion energetics data, Gas Chromatography, References
- Symbols used in this document:
AE Appearance energy 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 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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