nBuC(Me)2O anion
- Formula: C7H15O-
- Molecular weight: 115.1939
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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
C7H15O- + =
By formula: C7H15O- + H+ = C7H16O
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 371.7 ± 2.1 | kcal/mol | G+TS | Higgins and Bartmess, 1998 | gas phase |
| ΔrH° | 371.6 ± 2.8 | kcal/mol | G+TS | Boand, Houriet, et al., 1983 | gas phase; value altered from reference due to change in acidity scale |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 365.1 ± 2.0 | kcal/mol | IMRE | Higgins and Bartmess, 1998 | gas phase |
| ΔrG° | 365.0 ± 2.7 | kcal/mol | CIDC | Boand, Houriet, et al., 1983 | gas phase; value altered from reference due to change in acidity scale |
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
Electron affinity of neutral species
| EAneutral (eV) | Method | Reference | Comment |
|---|---|---|---|
| 1.99 ± 0.13 | D-EA | Higgins and Bartmess, 1998 | |
| 2.00 ± 0.15 | D-EA | Boand, Houriet, et al., 1983 | value altered from reference due to change in acidity scale |
Protonation reactions
C7H15O- + =
By formula: C7H15O- + H+ = C7H16O
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 371.7 ± 2.1 | kcal/mol | G+TS | Higgins and Bartmess, 1998 | gas phase |
| ΔrH° | 371.6 ± 2.8 | kcal/mol | G+TS | Boand, Houriet, et al., 1983 | gas phase; value altered from reference due to change in acidity scale |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 365.1 ± 2.0 | kcal/mol | IMRE | Higgins and Bartmess, 1998 | gas phase |
| ΔrG° | 365.0 ± 2.7 | kcal/mol | CIDC | Boand, Houriet, et al., 1983 | gas phase; value altered from reference due to change in acidity scale |
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.
Higgins and Bartmess, 1998
Higgins, P.R.; Bartmess, J.E.,
The Gas Phase Acidities of Long Chain Alcohols.,
Int. J. Mass Spectrom., 1998, 175, 1-2, 71-79, https://doi.org/10.1016/S0168-1176(98)00125-6
. [all data]
Boand, Houriet, et al., 1983
Boand, G.; Houriet, R.; Baumann, T.,
The gas phase acidity of aliphatic alcohols,
J. Am. Chem. Soc., 1983, 105, 2203. [all data]
Notes
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
EAneutral Electron affinity of neutral species 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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