Oxalyl chloride

• Formula: C₂Cl₂O₂
• Molecular weight: 126.926
• IUPAC Standard InChI: InChI=1S/C2Cl2O2/c3-1(5)2(4)6 Copy

  
• IUPAC Standard InChIKey: CTSLXHKWHWQRSH-UHFFFAOYSA-N Copy
• CAS Registry Number: 79-37-8
• Chemical structure:
  This structure is also available as a 2d Mol file
• Other names: Ethanedioyl dichloride; Ethanedioyl chloride; Oxalic acid dichloride; Oxalic dichloride; Oxaloyl chloride; Oxalyl dichloride; (COCl)2
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• Information on this page:
  • Condensed phase thermochemistry data
  • Gas phase ion energetics data
  • References
  • Notes
• Other data available:
  • Gas phase thermochemistry data
  • Phase change data
  • Mass spectrum (electron ionization)
  • UV/Visible spectrum
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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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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 compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
LL - Sharon G. Lias and Joel F. Liebman

Ionization energy determinations

Appearance energy determinations

References

Go To: Top, Condensed phase thermochemistry data, Gas phase ion energetics data, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Walker and Prophet, 1967
Walker, L.C.; Prophet, H., Enthalpy of formation of oxalyl chloride and the COCl radical, Trans. Faraday Soc., 1967, 63, 879-882. [all data]

Pedley, Naylor, et al., 1986
Pedley, J.B.; Naylor, R.D.; Kirby, S.P., Thermochemical Data of Organic Compounds, Chapman and Hall, New York, 1986, 1-792. [all data]

Frost, McDowell, et al., 1977
Frost, D.C.; McDowell, C.A.; Pouzard, G.; Westwood, N.P.C., The photoelectron spectra of the oxalyl halides (CO_X)₂,[X = F, Cl and Br], J. Electron Spectrosc. Relat. Phenom., 1977, 10, 273. [all data]

Kimura, Katsumata, et al., 1981
Kimura, K.; Katsumata, S.; Achiba, Y.; Yamazaki, T.; Iwata, S., Ionization energies, Ab initio assignments, and valence electronic structure for 200 molecules in Handbook of HeI Photoelectron Spectra of Fundamental Organic Compounds, Japan Scientific Soc. Press, Tokyo, 1981. [all data]

Meeks and McGlynn, 1975
Meeks, J.L.; McGlynn, S.P., Photoelectron spectra of carbonyls. Oxalyl chloride, ethyl oxalyl chloride, ethyl oxamate and N,N-dimethyl ethyl oxamate, Spectrosc. Lett., 1975, 8, 439. [all data]

Chen and Holmes, 1994
Chen, H.; Holmes, J.L., The generation of OC₂O⁺ and OC₂O and a study of ionized OC₃O and C₂O by tandem mass spectrometry, Int. J. Mass Spectrom. Ion Processes, 1994, 133, 111. [all data]

Notes

Go To: Top, Condensed phase thermochemistry data, Gas phase ion energetics data, References

• Symbols used in this document:
  

  AE	Appearance energy
  ΔcH°liquid	Enthalpy of combustion of liquid at standard conditions
  ΔfH°liquid	Enthalpy of formation of liquid at standard conditions

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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