nitrophenide anion
- Formula: C6H4NO2-
- Molecular weight: 122.1020
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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
Protonation reactions
C6H4NO2- + =
By formula: C6H4NO2- + H+ = C6H5NO2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 377.0 ± 3.1 | kcal/mol | G+TS | Cheng and Grabowski, 1989 | gas phase; between EtOH, iPrOH |
| ΔrH° | 354.2 ± 3.1 | kcal/mol | G+TS | Meot-ner and Kafafi, 1988 | gas phase; acidity stronger than all levels of computation by 25 kcal/mol |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 369.3 ± 3.0 | kcal/mol | IMRB | Cheng and Grabowski, 1989 | gas phase; between EtOH, iPrOH |
| ΔrG° | 346.5 ± 3.0 | kcal/mol | IMRB | Meot-ner and Kafafi, 1988 | gas phase; acidity stronger than all levels of computation by 25 kcal/mol |
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.
Cheng and Grabowski, 1989
Cheng, X.; Grabowski, J.J.,
Gas-phase Acidity of Nitrobenzene from Flowing Afterglow Bracketing Studies,
Rapid Commun. Mass Spectrom., 1989, 3, 2, 34-36, https://doi.org/10.1002/rcm.1290030207
. [all data]
Meot-ner and Kafafi, 1988
Meot-ner, M.; Kafafi, S.A.,
Carbon Acidities of Aromatic Compounds,
J. Am. Chem. Soc., 1988, 110, 19, 6297, https://doi.org/10.1021/ja00227a003
. [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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