Ethyl oxamate
- Formula: C4H7NO3
- Molecular weight: 117.1033
- IUPAC Standard InChI: InChI=1S/C4H7NO3/c1-2-8-4(7)3(5)6/h2H2,1H3,(H2,5,6)
- IUPAC Standard InChIKey: RZMZBHSKPLVQCP-UHFFFAOYSA-N
- CAS Registry Number: 617-36-7
- 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: Oxamic acid ethyl ester; Acetic acid, aminooxo-, ethyl ester; Ethoxalamide; Oxalic acid, monoethyl ester amide
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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
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 9.85 | PE | Meeks and McGlynn, 1975 | Vertical value; LLK |
De-protonation reactions
C4H6NO3- + =
By formula: C4H6NO3- + H+ = C4H7NO3
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 1471. ± 8.8 | kJ/mol | G+TS | Taft, 1987 | gas phase; value altered from reference due to change in acidity scale; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 1442. ± 8.4 | kJ/mol | IMRE | Taft, 1987 | gas phase; value altered from reference due to change in acidity scale; 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.
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]
Taft, 1987
Taft, R.W.,
The Nature and Analysis of Substitutent Electronic Effects,
Personal communication. See also Prog. Phys. Org. Chem., 1987, 16, 1. [all data]
Notes
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
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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