2-Propanone, O-methyloxime
- Formula: C4H9NO
- Molecular weight: 87.1204
- IUPAC Standard InChI: InChI=1S/C4H9NO/c1-4(2)5-6-3/h1-3H3
- IUPAC Standard InChIKey: QMOLZSLXSAVSPU-UHFFFAOYSA-N
- CAS Registry Number: 3376-35-0
- 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: Acetone, O-methyloxime
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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
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 |
|---|---|---|---|
| 9.16 | PE | Stunnenberg and Cerfontain, 1987 | LBLHLM |
De-protonation reactions
C4H8NO- + =
By formula: C4H8NO- + H+ = C4H9NO
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 372.8 ± 4.0 | kcal/mol | N/A | Hair, Carrigan, et al., 1989 | gas phase; Acidity near DMSO.; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 365.7 ± 3.5 | kcal/mol | IMRB | Hair, Carrigan, et al., 1989 | gas phase; Acidity near DMSO.; 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.
Stunnenberg and Cerfontain, 1987
Stunnenberg, F.; Cerfontain, H.,
He I and He II photoelectron spectra and SCF-LCAO-MO calculations on the three geometric isomers of 3,3,5,5-tetramethyl-1,2-bis(methoxyimino)cyclopentane,
J. Phys. Chem., 1987, 91, 6490. [all data]
Hair, Carrigan, et al., 1989
Hair, O.; Carrigan, K.E.; Bierbaum, V.M.; DePuy, C.H.,
Gas Phase Ion Chemistry of Nitrogen Containing Negative Ions: Deprotonated Nitromethane, Acetone Oxime, and Acetone Oxime O-methyl Ether,
Int. J. Mass Spectrom. Ion Proc., 1989, 90, 3, 295, https://doi.org/10.1016/0168-1176(89)80074-6
. [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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