Ethane, 1,2-dichloro-

• Formula: C₂H₄Cl₂
• Molecular weight: 98.959
• IUPAC Standard InChI: InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2 Copy

  
• IUPAC Standard InChIKey: WSLDOOZREJYCGB-UHFFFAOYSA-N Copy
• CAS Registry Number: 107-06-2
• 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.
• Other names: α,β-Dichloroethane; s-Dichloroethane; Brocide; Dutch liquid; Ethylene chloride; Ethylene dichloride; Freon 150; Glycol dichloride; 1,2-Bichloroethane; 1,2-Dichlorethane; 1,2-Dichloroethane; CH2ClCH2Cl; sym-Dichloroethane; Aethylenchlorid; Bichlorure D'ethylene; Borer sol; Chlorure D'ethylene; Cloruro di ethene; 1,2-DCE; Destruxol borer-sol; 1,2-Dichloorethaan; 1,2-Dichlor-aethan; Dichloremulsion; Di-chlor-mulsion; Dichloro-1,2-ethane; 1,2-Dicloroetano; Dutch oil; EDC; ENT 1,656; Ethane dichloride; Ethyleendichloride; 1,2-Ethylene dichloride; NCI-C00511; Rcra waste number U077; UN 1184; DCE; EDC (halocarbon); HCC 150; 1,2-dichloroethane (ethylene dichloride)
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• Information on this page:
  • Gas phase thermochemistry data
  • Reaction thermochemistry data
  • Gas phase ion energetics data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Vibrational and/or electronic energy levels
  • References
  • Notes
• Other data available:
  • Condensed phase thermochemistry data
  • Phase change data
  • Henry's Law data
  • Gas Chromatography
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Gas 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

Reaction 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

=  + 

By formula: C₂H₄Cl₂ = C₂H₃Cl + HCl

 + 2 =  + 2

By formula: C₂H₄Cl₂ + 2H₂ = C₂H₆ + 2HCl

 +  =  + 

By formula: C₂H₄Cl₂ + Cl₂ = HCl + C₂H₃Cl₃

=

By formula: C₂H₄Cl₂ = C₂H₄Cl₂

 +  =

By formula: C₂H₄ + Cl₂ = C₂H₄Cl₂

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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Ionization energy determinations

Appearance energy determinations

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

• Not specified, most likely a prism, grating, or hybrid spectrometer.; DIGITIZED BY NIST FROM HARD COPY; 4 cm^-1 resolution
• GAS (50 mmHg, N2 ADDED, TOTAL PRESSURE 600 mmHg); DOW KBr FOREPRISM-GRATING; DIGITIZED BY COBLENTZ SOCIETY (BATCH II) FROM HARD COPY; 2 cm^-1 resolution

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

• gas

Data compiled by: Pamela M. Chu, Franklin R. Guenther, George C. Rhoderick, and Walter J. Lafferty

• gas; IFS66V (Bruker); 3-Term B-H Apodization
  0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm^-1 resolution
• gas; IFS66V (Bruker); Boxcar Apodization
  0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm^-1 resolution
• gas; IFS66V (Bruker); Happ Genzel Apodization
  0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm^-1 resolution
• gas; IFS66V (Bruker); NB Strong Apodization
  0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm^-1 resolution
• gas; IFS66V (Bruker); Triangular Apodization
  0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm^-1 resolution

Mass spectrum (electron ionization)

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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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Additional Data

Vibrational and/or electronic energy levels

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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: Takehiko Shimanouchi

Trans form     Symmetry:   C_2h     Symmetry Number σ = 2

Source: Shimanouchi, 1972

Gauche form     Symmetry:   C₂     Symmetry Number σ = 2

Source: Shimanouchi, 1972

Notes

References

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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]

Lacher, Amador, et al., 1967
Lacher, J.R.; Amador, A.; Park, J.D., Reaction heats of organic compounds. Part 5.-Heats of hydrogenation of dichloromethane, 1,1- and 1,2-dichloroethane and 1,2-dichloropropane, Trans. Faraday Soc., 1967, 63, 1608-1611. [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]

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]

Buravtsev, Grigor'ev, et al., 1992
Buravtsev, N.N.; Grigor'ev, A.S.; Zaidman, O.A.; Kolbanovskii, Yu.A.; Markelov, M.YU.; Sadogurskii, M.N.; Treger, Yu.A., Dehydrochlorination of chloroalkanes under rigid homogeneous conditions. II. Effect of small additions of oxygen to the kinetics of high-temperature decomposition of 1,2-dichloroethane under adiabatic compression, Khim. Fiz., 1992, 11, 218-226. [all data]

Levanova, Bushneva, et al., 1979
Levanova, s.V.; Bushneva, I.I.; Rodova, R.M.; Rozhnov, A.M.; Treger, Yu.A.; Aprelkin, A.S., Thermodynamic stability of chloroethanes in dehydrochlorination reactions, J. Appl. Chem. USSR, 1979, 52, 1439-1442. [all data]

Ghosh and Guha, 1951
Ghosh, J.C.; Guha, S.R.D., Catalytic dehydrochlorination of ethylene dichloride, Petroleum (London), 1951, 14, 261-264. [all data]

Rozhnov, 1968
Rozhnov, A.M., Equilibrium of dichloroethane isomerization, Neftekhimiya, 1968, 8, 431-434. [all data]

Conn, Kistiakowsky, et al., 1938
Conn, J.B.; Kistiakowsky, G.B.; Smith, E.A., Heats of organic reactions. VII. Addition of halogens to olefins, J. Am. Chem. Soc., 1938, 60, 2764-2771. [all data]

Berman, Anicich, et al., 1979
Berman, D.W.; Anicich, V.; Beauchamp, J.L., Stabilities of isomeric halonium ions C₂H₄X⁺ (X = Cl, Br) by photoionization mass spectrometry iand on cyclotron resonance spectroscopy. General considerations of the relative stabilities of cyclic and acyclic isomeric onium ions, J. Am. Chem. Soc., 1979, 101, 1239. [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]

Gan, Peel, et al., 1977
Gan, T.H.; Peel, J.B.; Willett, G.D., Photoelectron spectra of the gauche and trans conformers of 1,2-dichloroethane, J. Chem. Soc. Faraday Trans. 2, 1977, 73, 965. [all data]

Chau and McDowell, 1975
Chau, F.T.; McDowell, C.A., Photoelectron spectra of 1,2 dichloro-, 1,2 dibromo- and 1,2 diiodo-ethane, J. Electron Spectrosc. Relat. Phenom., 1975, 6, 365. [all data]

Raymonda, Edwards, et al., 1974
Raymonda, J.W.; Edwards, L.O.; Russell, B.R., Vacuum ultraviolet absorption spectra of some chloroalkanes, J. Am. Chem. Soc., 1974, 96, 1708. [all data]

Harrison and Shannon, 1962
Harrison, A.G.; Shannon, T.W., An electron impact study of chloromethyl and dichloromethyl derivatives, Can. J. Chem., 1962, 40, 1730. [all data]

Shimanouchi, 1972
Shimanouchi, T., Tables of Molecular Vibrational Frequencies Consolidated Volume I, National Bureau of Standards, 1972, 1-160. [all data]

Notes

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• Symbols used in this document:
  

  AE	Appearance energy
  IE (evaluated)	Recommended ionization energy
  ΔfH°gas	Enthalpy of formation of gas at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions

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