(E)-1-(3-Nitrophenyl)ethanone oxime
- Formula: C8H8N2O3
- Molecular weight: 180.1607
- IUPAC Standard InChI: InChI=1S/C8H8N2O3/c1-6(9-11)7-3-2-4-8(5-7)10(12)13/h2-5,11H,1H3
- IUPAC Standard InChIKey: PDRKZXUNOXCETR-UHFFFAOYSA-N
- CAS Registry Number: 7471-32-1
- 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: 1-(3-Nitrophenyl)-1-ethanone oxime
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Reaction thermochemistry 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
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Individual Reactions
C8H7N2O3- + =
By formula: C8H7N2O3- + H+ = C8H8N2O3
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 1433. ± 9.6 | kJ/mol | G+TS | Badal and Mishima, 2010 | gas phase; (E) isomer |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 1405. ± 9.2 | kJ/mol | IMRE | Badal and Mishima, 2010 | gas phase; (E) isomer |
References
Go To: Top, Reaction thermochemistry 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, Reaction thermochemistry 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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