4-Br-bicyclo[2.2.2]octane-CO2 anion
- Formula: C9H12BrO2-
- Molecular weight: 232.095
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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
C9H12BrO2- + = C9H13BrO2
By formula: C9H12BrO2- + H+ = C9H13BrO2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 1411. ± 9.2 | kJ/mol | G+TS | Koppel, Mishima, et al., 1993 | gas phase |
| ΔrH° | 1411. ± 9.2 | kJ/mol | G+TS | Taft and Topsom, 1987 | gas phase; value altered from reference due to change in acidity scale |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 1382. ± 8.4 | kJ/mol | IMRE | Koppel, Mishima, et al., 1993 | gas phase |
| ΔrG° | 1382. ± 8.4 | kJ/mol | IMRE | Taft and Topsom, 1987 | gas phase; value altered from reference due to change in acidity scale |
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, Mishima, et al., 1993
Koppel, I.A.; Mishima, M.; Stock, L.M.; Taft, R.W.; Topsom, R.D.,
Acidities of 4-Substituted Benzoic, Bicyclo[2.2.2]Oct-1-yl and Bicyclo[2.2.2]Oct-2-enyl Carboxylic Acids,
J. Phys. Org. Chem., 1993, 6, 12, 685, https://doi.org/10.1002/poc.610061205
. [all data]
Taft and Topsom, 1987
Taft, R.W.; Topsom, R.D.,
The Nature and Analysis of Substituent Effects,
Prog. Phys. Org. Chem., 1987, 16, 1. [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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