3-CF3-bicyclo[1.1.1]pentane-1-CO2 anion
- Formula: C7H6F3O2-
- Molecular weight: 179.1171
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Gas phase ion energetics 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
Electron affinity of neutral species
| EAneutral (eV) | Method | Reference | Comment |
|---|---|---|---|
| 3.91 ± 0.13 | D-EA | Adcock, Baran, et al., 2005 | Entropy of acidity reassigned at 24 eu; authors did not take symmetry changes into account |
Protonation reactions
C7H6F3O2- + = C7H7F3O2
By formula: C7H6F3O2- + H+ = C7H7F3O2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 1407. ± 8.8 | kJ/mol | G+TS | Adcock, Baran, et al., 2005 | gas phase; Entropy of acidity reassigned at 24 eu; authors did not take symmetry changes into account |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 1377. ± 8.4 | kJ/mol | CIDC | Adcock, Baran, et al., 2005 | gas phase; Entropy of acidity reassigned at 24 eu; authors did not take symmetry changes into account |
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.
Adcock, Baran, et al., 2005
Adcock, W.; Baran, Y.; Filippi, A.; Speranza, M.; Trout, N.A.,
Polar substituent effects in the bicyclo[1.1.1]pentane ring system: Acidities of 3-substituted bicyclo[1.1.1]pentane-1-carboxylic acids,
J. Org. Chem., 2005, 70, 3, 1029-1034, https://doi.org/10.1021/jo040236b
. [all data]
Notes
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- 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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