pNO2-C6H4C(CN)2 anion
- Formula: C9H4N3O2-
- Molecular weight: 186.1475
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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
C9H4N3O2- + =
By formula: C9H4N3O2- + H+ = C9H5N3O2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 1277. ± 9.6 | kJ/mol | G+TS | Koppel, Taft, et al., 1994 | gas phase; Per Leito, Raamat, et al., 2009, dGacid is likely too weak by at least 1.3 kcal/mol, and possibly 5.3, due to problems in the ladder at dGacid=299 |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 1253. ± 8.4 | kJ/mol | IMRE | Koppel, Taft, et al., 1994 | gas phase; Per Leito, Raamat, et al., 2009, dGacid is likely too weak by at least 1.3 kcal/mol, and possibly 5.3, due to problems in the ladder at dGacid=299 |
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.
Koppel, Taft, et al., 1994
Koppel, I.A.; Taft, R.W.; Anvia, F.; Zhu, S.Z.; Hu, L.Q.; Sung, K.S.; Desmarteau, D.D.; Yagupolskii, L.M.,
The Gas-Phase Acidities of Very Strong Neutral Bronsted Acids,
J. Am. Chem. Soc., 1994, 116, 7, 3047, https://doi.org/10.1021/ja00086a038
. [all data]
Leito, Raamat, et al., 2009
Leito, I.; Raamat, E.; Kutt, A.; Saame, J.; Kipper, K.; Koppel, I.A.; Koppel, I.; Zhang, M.; Mishima, M.; Yagupolskii, L.M.; Garlyauskayte, R.Y.; Filatov, A.A.,
Revision of the Gas-Phase Acidity Scale below 300 kcal mol(-1),
J. Phys. Chem. A, 2009, 113, 29, 8421-8424, https://doi.org/10.1021/jp903780k
. [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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