nPnCH(Et)CO2 anion
- Formula: C8H17O2-
- Molecular weight: 145.2199
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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
C8H17O2- + =
By formula: C8H17O2- + H+ = C9H18O2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 338.4 ± 2.0 | kcal/mol | TDEq | Norrman and McMahon, 1999 | gas phase; folded form. dSacid = 11.2 eu |
| ΔrH° | 345.7 ± 2.0 | kcal/mol | TDEq | Norrman and McMahon, 1999 | gas phase; Unfolded form |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 335.1 ± 2.1 | kcal/mol | H-TS | Norrman and McMahon, 1999 | gas phase; folded form. dSacid = 11.2 eu |
| ΔrG° | 337.4 ± 2.1 | kcal/mol | H-TS | Norrman and McMahon, 1999 | gas phase; Unfolded form |
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
C8H17O2- + =
By formula: C8H17O2- + H+ = C9H18O2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 338.4 ± 2.0 | kcal/mol | TDEq | Norrman and McMahon, 1999 | gas phase; folded form. dSacid = 11.2 eu |
| ΔrH° | 345.7 ± 2.0 | kcal/mol | TDEq | Norrman and McMahon, 1999 | gas phase; Unfolded form |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 335.1 ± 2.1 | kcal/mol | H-TS | Norrman and McMahon, 1999 | gas phase; folded form. dSacid = 11.2 eu |
| ΔrG° | 337.4 ± 2.1 | kcal/mol | H-TS | Norrman and McMahon, 1999 | gas phase; Unfolded form |
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.
Norrman and McMahon, 1999
Norrman, K.; McMahon, T.B.,
Intramolecular solvation of carboxylate anions in the gas phase,
J. Phys. Chem. A, 1999, 103, 35, 7008-7016, https://doi.org/10.1021/jp9908202
. [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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