Ethanone, 1-[3-(trifluoromethyl)phenyl]-, oxime
- Formula: C9H8F3NO
- Molecular weight: 203.1611
- IUPAC Standard InChI: InChI=1S/C9H8F3NO/c1-6(13-14)7-3-2-4-8(5-7)9(10,11)12/h2-5,14H,1H3/b13-6+
- IUPAC Standard InChIKey: QQGVWMIRCZEUBB-AWNIVKPZSA-N
- CAS Registry Number: 99705-50-7
- Chemical structure:
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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 by: John E. Bartmess
De-protonation reactions
C9H7F3NO- + =
By formula: C9H7F3NO- + H+ = C9H8F3NO
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 1448. ± 9.6 | kJ/mol | G+TS | Badal and Mishima, 2010 | gas phase; (E) isomer |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 1419. ± 9.2 | kJ/mol | IMRE | Badal and Mishima, 2010 | gas phase; (E) isomer |
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.
Badal and Mishima, 2010
Badal, M.M.R.; Mishima, M.,
Gas-Phase Acidities of Acetophenone Oximes. Substituent Effect and Solvent Effects,
Bull. Chem. Soc. Japan, 2010, 83, 1, 58-65, https://doi.org/10.1246/bcsj.20090246
. [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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