pNMe3(+)-benzoate anion
- Formula: C10H13NO2-
- Molecular weight: 179.2163
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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
C10H13NO2- + = C10H14NO2
By formula: C10H13NO2- + H+ = C10H14NO2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 252.6 ± 3.1 | kcal/mol | G+TS | Strittmatter, Wong, et al., 2000 | gas phase; This acidity is ca. 24 kcal/mol stronger than that given by G3(MP2)B3 calculations. |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 245.6 ± 3.0 | kcal/mol | CIDC | Strittmatter, Wong, et al., 2000 | gas phase; This acidity is ca. 24 kcal/mol stronger than that given by G3(MP2)B3 calculations. |
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 |
|---|---|---|---|
| 7.55 ± 0.19 | D-EA | Strittmatter, Wong, et al., 2000 | This acidity is ca. 24 kcal/mol stronger than that given by G3(MP2)B3 calculations. |
Protonation reactions
C10H13NO2- + = C10H14NO2
By formula: C10H13NO2- + H+ = C10H14NO2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 252.6 ± 3.1 | kcal/mol | G+TS | Strittmatter, Wong, et al., 2000 | gas phase; This acidity is ca. 24 kcal/mol stronger than that given by G3(MP2)B3 calculations. |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 245.6 ± 3.0 | kcal/mol | CIDC | Strittmatter, Wong, et al., 2000 | gas phase; This acidity is ca. 24 kcal/mol stronger than that given by G3(MP2)B3 calculations. |
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.
Strittmatter, Wong, et al., 2000
Strittmatter, E.F.; Wong, R.L.; Williams, E.R.,
Gas-phase basicity of (CH3)(3)N+-C6H4-COO- zwitterions: A new class of organic super bases,
J. Am. Chem. Soc., 2000, 122, 6, 1247-1248, https://doi.org/10.1021/ja9934495
. [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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