Oxalyl chloride


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

Quantity Value Units Method Reference Comment
Δfgas-80.3 ± 1.5kcal/molCcrWalker and Prophet, 1967Reanalyzed by Pedley, Naylor, et al., 1986, Original value = -78.0 ± 1.4 kcal/mol

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

Quantity Value Units Method Reference Comment
Δfliquid-87.9 ± 1.1kcal/molCcrWalker and Prophet, 1967Reanalyzed by Pedley, Naylor, et al., 1986, Original value = -85.6 ± 0.5 kcal/mol
Quantity Value Units Method Reference Comment
Δcliquid-99.7 ± 0.5kcal/molCcrWalker and Prophet, 1967 

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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δvap7.6 ± 0.9kcal/molEWalker and Prophet, 1967ALS

Reduced pressure boiling point

Tboil (K) Pressure (atm) Reference Comment
336.71.00Aldrich Chemical Company Inc., 1990BS

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

IE (eV) Method Reference Comment
10.91 ± 0.05PEFrost, McDowell, et al., 1977LLK
11.33PEKimura, Katsumata, et al., 1981Vertical value; LLK
11.26PEMeeks and McGlynn, 1975Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C2O2+15.7 ± 0.1Cl2EIChen and Holmes, 1994LL

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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Mass 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.
NIST MS number 2589

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UV/Visible spectrum

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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: Victor Talrose, Alexander N. Yermakov, Alexy A. Usov, Antonina A. Goncharova, Axlexander N. Leskin, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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UVVis spectrum
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Additional Data

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Source Saksena and Kagarise, 1951
Owner INEP CP RAS, NIST OSRD
Collection (C) 2007 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS
Source reference RAS UV No. 10174
State <none>
Instrument Beckman quartz spectrophotometer
Melting point - 12
Boiling point 63.5-64/ 763 mm

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.

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]

Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc., Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [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 (COX)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]

Saksena and Kagarise, 1951
Saksena, B.D.; Kagarise, R.E., J. Chem. Phys., 1951, 19, 999. [all data]


Notes

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