3-Me-thiophenide anion
- Formula: C5H5S-
- Molecular weight: 97.159
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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
C5H5S- + =
By formula: C5H5S- + H+ = C5H6S
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 380.7 ± 3.1 | kcal/mol | G+TS | DePuy, Kass, et al., 1988 | gas phase; Acid: 3-methylthiophene. Between MeOH, EtOH. 1 D exchange implies ring proton as site. |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 373.0 ± 3.0 | kcal/mol | IMRB | DePuy, Kass, et al., 1988 | gas phase; Acid: 3-methylthiophene. Between MeOH, EtOH. 1 D exchange implies ring proton as site. |
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
C5H5S- + =
By formula: C5H5S- + H+ = C5H6S
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 380.7 ± 3.1 | kcal/mol | G+TS | DePuy, Kass, et al., 1988 | gas phase; Acid: 3-methylthiophene. Between MeOH, EtOH. 1 D exchange implies ring proton as site. |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 373.0 ± 3.0 | kcal/mol | IMRB | DePuy, Kass, et al., 1988 | gas phase; Acid: 3-methylthiophene. Between MeOH, EtOH. 1 D exchange implies ring proton as site. |
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.
DePuy, Kass, et al., 1988
DePuy, C.H.; Kass, S.R.; Bean, G.P.,
Formation and Reactions of Heteroaromatic Anions in the Gas Phase,
J. Org. Chem., 1988, 53, 19, 4427, https://doi.org/10.1021/jo00254a001
. [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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