PhCHBr anion
- Formula: C7H6Br-
- Molecular weight: 170.027
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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
C7H6Br- + =
By formula: C7H6Br- + H+ = C7H7Br
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 372.1 ± 2.1 | kcal/mol | G+TS | Poutsma, Nash, et al., 1997 | gas phase; acidity comparable to MeCN, between HF and tBuCH(Me)OH |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 364.9 ± 2.0 | kcal/mol | IMRB | Poutsma, Nash, et al., 1997 | gas phase; acidity comparable to MeCN, between HF and tBuCH(Me)OH |
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
C7H6Br- + =
By formula: C7H6Br- + H+ = C7H7Br
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 372.1 ± 2.1 | kcal/mol | G+TS | Poutsma, Nash, et al., 1997 | gas phase; acidity comparable to MeCN, between HF and tBuCH(Me)OH |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 364.9 ± 2.0 | kcal/mol | IMRB | Poutsma, Nash, et al., 1997 | gas phase; acidity comparable to MeCN, between HF and tBuCH(Me)OH |
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.
Poutsma, Nash, et al., 1997
Poutsma, J.C.; Nash, J.J.; Paulino, J.A.; Squires, R.R.,
Absolute Heats of Formation of Phenylcarbene and Vinylcarbene,
J. Am. Chem. Soc., 1997, 119, 20, 4686, https://doi.org/10.1021/ja963918s
. [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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