nitrophenide anion
- Formula: C6H4NO2-
- Molecular weight: 122.1020
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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
C6H4NO2- + =
By formula: C6H4NO2- + H+ = C6H5NO2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 1577. ± 13. | kJ/mol | G+TS | Cheng and Grabowski, 1989 | gas phase; between EtOH, iPrOH |
| ΔrH° | 1482. ± 13. | kJ/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° | 1545. ± 13. | kJ/mol | IMRB | Cheng and Grabowski, 1989 | gas phase; between EtOH, iPrOH |
| ΔrG° | 1450. ± 13. | kJ/mol | IMRB | Meot-ner and Kafafi, 1988 | gas phase; acidity stronger than all levels of computation by 25 kcal/mol |
Gas phase ion energetics data
Go To: Top, Reaction thermochemistry data, References, Notes
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° | 1577. ± 13. | kJ/mol | G+TS | Cheng and Grabowski, 1989 | gas phase; between EtOH, iPrOH |
| ΔrH° | 1482. ± 13. | kJ/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° | 1545. ± 13. | kJ/mol | IMRB | Cheng and Grabowski, 1989 | gas phase; between EtOH, iPrOH |
| ΔrG° | 1450. ± 13. | kJ/mol | IMRB | Meot-ner and Kafafi, 1988 | gas phase; acidity stronger than all levels of computation by 25 kcal/mol |
References
Go To: Top, Reaction thermochemistry data, 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, Reaction thermochemistry data, 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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