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Propanoic acid, 2-oxo-


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:
B - John E. Bartmess
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
LL - Sharon G. Lias and Joel F. Liebman
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard

Ionization energy determinations

IE (eV) Method Reference Comment
9.9PEMcGlynn and Meeks, 1975LLK
10.42PEMcGlynn and Meeks, 1975Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CHO2+10.28C2H3OEIHolmes, Lossing, et al., 1991LL
C2H4O+10.4CO2EITerlouw, Wezenberg, et al., 1983LBLHLM
C2H4O+10.7 ± 0.2CO2EITerlouw, Wezenberg, et al., 1983LBLHLM

De-protonation reactions

C3H3O3- + Hydrogen cation = Propanoic acid, 2-oxo-

By formula: C3H3O3- + H+ = C3H4O3

Quantity Value Units Method Reference Comment
Deltar1395. ± 12.kJ/molG+TSGraul, Schnute, et al., 1990gas phase; B
Quantity Value Units Method Reference Comment
Deltar1366. ± 12.kJ/molCIDCGraul, Schnute, et al., 1990gas phase; B

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.

McGlynn and Meeks, 1975
McGlynn, S.P.; Meeks, J.L., Photoelectron spectra of carbonyls: Acetaldehyde, acetamide, biacetyl, pyruvic acid, methyl pyruvate and vamide, J. Electron Spectrosc. Relat. Phenom., 1975, 6, 269. [all data]

Holmes, Lossing, et al., 1991
Holmes, J.L.; Lossing, F.P.; Mayer, P.M., Heats of formation of oxygen-containing organic free radicals from appearance energy measurements, J. Am. Chem. Soc., 1991, 113, 9723. [all data]

Terlouw, Wezenberg, et al., 1983
Terlouw, J.K.; Wezenberg, J.; Burgers, P.C.; Holmes, J.L., New stable isomers of [C2H4O]+ and [C2H4O2]+, the radical cations [CH2COH]+ and [CH3OCOH]+, J. Chem. Soc., Chem. Commun., 1983, 1121. [all data]

Graul, Schnute, et al., 1990
Graul, S.T.; Schnute, M.E.; Squires, R.R., Gas-Phase Acidities of Carboxylic Acids and Alcohols from Collision-Induced Dissociation of Dimer Cluster Ions, Int. J. Mass Spectrom. Ion Proc., 1990, 96, 2, 181, https://doi.org/10.1016/0168-1176(90)87028-F . [all data]


Notes

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