trans-4-Me-cC6H10O anion
- Formula: C7H13O-
- Molecular weight: 113.1781
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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
C7H13O- + =
By formula: C7H13O- + H+ = C7H14O
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 1563. ± 8.4 | kJ/mol | CIDC | Haas and Harrison, 1993 | gas phase; Both metastable and 50 eV collision energy. |
| ΔrH° | 1560. ± 9.2 | kJ/mol | G+TS | Majumdar, Clairet, et al., 1992 | gas phase; Acidity adjusted to 1987 acidity scale |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 1536. ± 8.8 | kJ/mol | H-TS | Haas and Harrison, 1993 | gas phase; Both metastable and 50 eV collision energy. |
| ΔrG° | 1532. ± 8.8 | kJ/mol | CIDC | Majumdar, Clairet, et al., 1992 | gas phase; Acidity adjusted to 1987 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 |
|---|---|---|---|
| 1.91 ± 0.12 | D-EA | Haas and Harrison, 1993 | Both metastable and 50 eV collision energy. |
Protonation reactions
C7H13O- + =
By formula: C7H13O- + H+ = C7H14O
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 1563. ± 8.4 | kJ/mol | CIDC | Haas and Harrison, 1993 | gas phase; Both metastable and 50 eV collision energy. |
| ΔrH° | 1560. ± 9.2 | kJ/mol | G+TS | Majumdar, Clairet, et al., 1992 | gas phase; Acidity adjusted to 1987 acidity scale |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 1536. ± 8.8 | kJ/mol | H-TS | Haas and Harrison, 1993 | gas phase; Both metastable and 50 eV collision energy. |
| ΔrG° | 1532. ± 8.8 | kJ/mol | CIDC | Majumdar, Clairet, et al., 1992 | gas phase; Acidity adjusted to 1987 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.
Haas and Harrison, 1993
Haas, M.J.; Harrison, A.G.,
The Fragmentation of Proton-Bound Cluster Ions and the Gas-Phase Acidities of Alcohols,
Int. J. Mass Spectrom. Ion Proc., 1993, 124, 2, 115, https://doi.org/10.1016/0168-1176(93)80003-W
. [all data]
Majumdar, Clairet, et al., 1992
Majumdar, T.K.; Clairet, F.; Tabet, J.C.; Cooks, R.G.,
PAs of halogenated uridines,
J. Am. Chem . Soc., 1992, 114, 2897. [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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