CH2=CHCH2 anion
- Formula: C3H5-
- Molecular weight: 41.0723
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Reaction thermochemistry data
Go To: Top, Gas phase ion energetics 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
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Individual Reactions
C3H5- + =
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 391.10 ± 0.30 | kcal/mol | G+TS | Ellison, Davico, et al., 1996 | gas phase; calculated dSacid=24.2±1.0 eu |
| ΔrH° | 390.5 ± 1.0 | kcal/mol | D-EA | Wenthold, Polak, et al., 1996 | gas phase |
| ΔrH° | 390.7 ± 2.1 | kcal/mol | G+TS | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale |
| ΔrH° | 390.25 ± 0.65 | kcal/mol | G+TS | Mackay, Lien, et al., 1978 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 383.80 ± 0.10 | kcal/mol | IMRE | Ellison, Davico, et al., 1996 | gas phase; calculated dSacid=24.2±1.0 eu |
| ΔrG° | 383.9 ± 1.1 | kcal/mol | H-TS | Wenthold, Polak, et al., 1996 | gas phase |
| ΔrG° | 384.1 ± 2.0 | kcal/mol | IMRE | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale |
| ΔrG° | 383.60 ± 0.50 | kcal/mol | IMRE | Mackay, Lien, et al., 1978 | 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
C3H5- + =
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 391.10 ± 0.30 | kcal/mol | G+TS | Ellison, Davico, et al., 1996 | gas phase; calculated dSacid=24.2±1.0 eu |
| ΔrH° | 390.5 ± 1.0 | kcal/mol | D-EA | Wenthold, Polak, et al., 1996 | gas phase |
| ΔrH° | 390.7 ± 2.1 | kcal/mol | G+TS | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale |
| ΔrH° | 390.25 ± 0.65 | kcal/mol | G+TS | Mackay, Lien, et al., 1978 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 383.80 ± 0.10 | kcal/mol | IMRE | Ellison, Davico, et al., 1996 | gas phase; calculated dSacid=24.2±1.0 eu |
| ΔrG° | 383.9 ± 1.1 | kcal/mol | H-TS | Wenthold, Polak, et al., 1996 | gas phase |
| ΔrG° | 384.1 ± 2.0 | kcal/mol | IMRE | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale |
| ΔrG° | 383.60 ± 0.50 | kcal/mol | IMRE | Mackay, Lien, et al., 1978 | 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.
Ellison, Davico, et al., 1996
Ellison, G.B.; Davico, G.E.; Bierbaum, V.M.; DePuy, C.H.,
Thermochemistry of theb Benzyl and Allyl Radicals and Ions,
Int. J. Mass Spectrom. Ion Proc., 1996, 156, 1-2, 109-131, https://doi.org/10.1016/S0168-1176(96)04383-2
. [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, Scott, et al., 1979
Bartmess, J.E.; Scott, J.A.; McIver, R.T., Jr.,
The gas phase acidity scale from methanol to phenol,
J. Am. Chem. Soc., 1979, 101, 6047. [all data]
Mackay, Lien, et al., 1978
Mackay, G.I.; Lien, M.H.; Hopkinson, A.C.; Bohme, D.K.,
Experimental and theoretical studies of proton removal from propene,
Can. J. Chem., 1978, 56, 131. [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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