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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Gas phase ion energetics data
Go To: Top, Mass spectrum (electron ionization), 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 |
Mass spectrum (electron ionization)
Go To: Top, 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: 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, 1998. |
NIST MS number | 290837 |
Gas Chromatography
Go To: Top, 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 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, Gas phase ion energetics data, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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, Gas phase ion energetics data, Mass spectrum (electron ionization), Gas Chromatography, References
- Symbols used in this document:
AE Appearance energy IE (evaluated) Recommended ionization energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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