CH2=CHCH2 anion
- Formula: C3H5-
- Molecular weight: 41.0723
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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
Protonation reactions
C3H5- + =
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 1636.4 ± 1.3 | kJ/mol | G+TS | Ellison, Davico, et al., 1996 | gas phase; calculated dSacid=24.2±1.0 eu |
| ΔrH° | 1634. ± 4.2 | kJ/mol | D-EA | Wenthold, Polak, et al., 1996 | gas phase |
| ΔrH° | 1635. ± 8.8 | kJ/mol | G+TS | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale |
| ΔrH° | 1632.8 ± 2.7 | kJ/mol | G+TS | Mackay, Lien, et al., 1978 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 1605.8 ± 0.42 | kJ/mol | IMRE | Ellison, Davico, et al., 1996 | gas phase; calculated dSacid=24.2±1.0 eu |
| ΔrG° | 1606. ± 4.6 | kJ/mol | H-TS | Wenthold, Polak, et al., 1996 | gas phase |
| ΔrG° | 1607. ± 8.4 | kJ/mol | IMRE | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale |
| ΔrG° | 1605.0 ± 2.1 | kJ/mol | IMRE | Mackay, Lien, et al., 1978 | gas phase |
References
Go To: Top, 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
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- 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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