pCN-C6H4CH2 anion
- Formula: C8H6N-
- Molecular weight: 116.1405
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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
C8H6N- + =
By formula: C8H6N- + H+ = C8H7N
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 360.5 ± 2.4 | kcal/mol | G+TS | Kahn, Hehre, et al., 1984 | gas phase; value altered from reference due to change in acidity scale |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 353.3 ± 2.3 | kcal/mol | IMRE | Kahn, Hehre, et al., 1984 | gas phase; value altered from reference due to change in acidity scale |
References
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Kahn, Hehre, et al., 1984
Kahn, S.D.; Hehre, W.J.; Bartmess, J.E.; Caldwell, G.,
Effect of Metal Complexation on the Gas-phase Acidities of Alkylbenzenes,
Organomet., 1984, 3, 11, 1740, https://doi.org/10.1021/om00089a024
. [all data]
Notes
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- 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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