Oxalic acid
- Formula: C2H2O4
- Molecular weight: 90.0349
- IUPAC Standard InChIKey: MUBZPKHOEPUJKR-UHFFFAOYSA-N
- CAS Registry Number: 144-62-7
- 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: Ethanedioic acid; Aktisal; Aquisal; Oxiric acid; HOOCCOOH; Acide oxalique; Acido ossalico; Ethanedionic acid; Kyselina stavelova; NCI-C55209; Oxaalzuur; Oxalsaeure; Ethane-1,2-dioic acid; NSC 62774
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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
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
11.20 | PE | McGlynn and Meeks, 1976 | Vertical value; LLK |
11.20 | PE | Meeks, Arnett, et al., 1975 | Vertical value; LLK |
11.20 | PE | Arnett, Newkome, et al., 1974 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
C2O2+ | 17.4 ± 0.1 | H2O+O | EI | Chen and Holmes, 1994 | LL |
De-protonation reactions
C2HO4- + =
By formula: C2HO4- + H+ = C2H2O4
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1356. ± 8.4 | kJ/mol | CIDC | Kumar, Prabhakar, et al., 2005 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1323. ± 8.4 | kJ/mol | CIDC | Kumar, Prabhakar, et al., 2005 | gas phase; B |
References
Go To: Top, 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.
McGlynn and Meeks, 1976
McGlynn, S.P.; Meeks, J.L.,
Photoelectron spectra of carbonyls, carbonates, oxalates and esterification effects,
J. Electron Spectrosc. Relat. Phenom., 1976, 8, 85. [all data]
Meeks, Arnett, et al., 1975
Meeks, J.L.; Arnett, J.F.; Larson, D.B.; McGlynn, S.P.,
Photoelectron spectroscopy of carbonyls. Urea, oxamide, oxalic acid and oxamic acid,
J. Am. Chem. Soc., 1975, 97, 3905. [all data]
Arnett, Newkome, et al., 1974
Arnett, J.F.; Newkome, G.; Mattice, W.L.; McGlynn, S.P.,
Excited electronic states of the α-dicarbonyls,
J. Am. Chem. Soc., 1974, 96, 4385. [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]
Kumar, Prabhakar, et al., 2005
Kumar, M.R.; Prabhakar, S.; Nagaveni, V.; Vairamani, M.,
Estimation of gas-phase acidities of a series of dicarboxylic acids by the kinetic method,
Rapid Commun. Mass Spectrom., 2005, 19, 8, 1053-1057, https://doi.org/10.1002/rcm.1888
. [all data]
Notes
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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