tBuCH(Et)O 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° | 369.8 ± 2.0 | kcal/mol | D-EA | Mihalick, Gatev, et al., 1996 | gas phase; Derived BDE: 104.2±2.8 kcal/mol |
| ΔrH° | 370.0 ± 2.1 | kcal/mol | G+TS | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 363.2 ± 2.2 | kcal/mol | H-TS | Mihalick, Gatev, et al., 1996 | gas phase; Derived BDE: 104.2±2.8 kcal/mol |
| ΔrG° | 363.4 ± 2.0 | kcal/mol | IMRE | Bartmess, Scott, et al., 1979 | 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 |
|---|---|---|---|
| 2.073 ± 0.013 | LPD | Mihalick, Gatev, et al., 1996 | Derived BDE: 104.2±2.8 kcal/mol |
| 2.07 ± 0.13 | D-EA | Bartmess, Scott, et al., 1979 | 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° | 369.8 ± 2.0 | kcal/mol | D-EA | Mihalick, Gatev, et al., 1996 | gas phase; Derived BDE: 104.2±2.8 kcal/mol |
| ΔrH° | 370.0 ± 2.1 | kcal/mol | G+TS | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 363.2 ± 2.2 | kcal/mol | H-TS | Mihalick, Gatev, et al., 1996 | gas phase; Derived BDE: 104.2±2.8 kcal/mol |
| ΔrG° | 363.4 ± 2.0 | kcal/mol | IMRE | Bartmess, Scott, et al., 1979 | 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.
Mihalick, Gatev, et al., 1996
Mihalick, J.E.; Gatev, G.G.; Brauman, J.I.,
Electron Photodetachment Spectroscopy of Solvated Anions: RO.HF- or ROH.F-?,
J. Am. Chem. Soc., 1996, 118, 49, 12424, https://doi.org/10.1021/ja954202k
. [all data]
Bartmess, Scott, et al., 1979
Bartmess, J.E.; Scott, J.A.; McIver, R.T., Jr.,
The gas phase acidity scale from methanol to phenol,
J. Am. Chem. Soc., 1979, 101, 6047. [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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