CH2=C(Me)CH2 anion
- Formula: C4H7-
- Molecular weight: 55.0989
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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
C4H7- + =
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 393.0 ± 1.8 | kcal/mol | Endo | Wenthold, Hu, et al., 1999 | gas phase |
| ΔrH° | 387.0 ± 2.0 | kcal/mol | D-EA | Wenthold, Polak, et al., 1996 | gas phase |
| ΔrH° | 390.3 ± 2.3 | kcal/mol | G+TS | Bartmess and Burnham, 1984 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 385.6 ± 1.9 | kcal/mol | H-TS | Wenthold, Hu, et al., 1999 | gas phase |
| ΔrG° | 379.6 ± 2.1 | kcal/mol | H-TS | Wenthold, Polak, et al., 1996 | gas phase |
| ΔrG° | 382.9 ± 2.2 | kcal/mol | IMRE | Bartmess and Burnham, 1984 | gas phase |
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
C4H7- + =
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 393.0 ± 1.8 | kcal/mol | Endo | Wenthold, Hu, et al., 1999 | gas phase |
| ΔrH° | 387.0 ± 2.0 | kcal/mol | D-EA | Wenthold, Polak, et al., 1996 | gas phase |
| ΔrH° | 390.3 ± 2.3 | kcal/mol | G+TS | Bartmess and Burnham, 1984 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 385.6 ± 1.9 | kcal/mol | H-TS | Wenthold, Hu, et al., 1999 | gas phase |
| ΔrG° | 379.6 ± 2.1 | kcal/mol | H-TS | Wenthold, Polak, et al., 1996 | gas phase |
| ΔrG° | 382.9 ± 2.2 | kcal/mol | IMRE | Bartmess and Burnham, 1984 | gas phase |
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.
Wenthold, Hu, et al., 1999
Wenthold, P.G.; Hu, J.; Squires, R.R.; Lineberger, W.C.,
Photoelectron spectroscopy of the trimethylenemethane negative ion,
J. Am. Soc. Mass Spectrom., 1999, 10, 9, 800-809, https://doi.org/10.1016/S1044-0305(99)00043-4
. [all data]
Wenthold, Polak, et al., 1996
Wenthold, P.G.; Polak, M.L.; Lineberger, W.C.,
Photoelectron Spectroscopy of the Allyl and 2-Methylallyl Anions,
J. Phys. Chem., 1996, 100, 17, 6920, https://doi.org/10.1021/jp953401n
. [all data]
Bartmess and Burnham, 1984
Bartmess, J.E.; Burnham, R.,
Effect of central substituents on the gas phase acidities of propenes,
J. Org. Chem., 1984, 49, 1382. [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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