CH2=C(Me)O anion
- Formula: C3H5O-
- Molecular weight: 57.0717
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Ion clustering 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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Clustering reactions
C3H5O- + = (C3H5O- •
)
By formula: C3H5O- + C2H3N = (C3H5O- • C2H3N)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 15.3 ± 1.0 | kcal/mol | TDAs | Meot-ner, 1988 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 9.6 ± 2.0 | kcal/mol | TDAs | Meot-ner, 1988 | gas phase |
C3H5O- + = (C3H5O- •
)
By formula: C3H5O- + C3H6O = (C3H5O- • C3H6O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | >25.90 | kcal/mol | IMRB | Sheldon and Bowie, 1983 | gas phase; MeOH..F- + Me2CO -> |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | >19.70 | kcal/mol | IMRB | Sheldon and Bowie, 1983 | gas phase; MeOH..F- + Me2CO -> |
C3H5O- + = (C3H5O- •
)
By formula: C3H5O- + C3H8O = (C3H5O- • C3H8O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 21.6 ± 2.9 | kcal/mol | N/A | Caldwell, Rozeboom, et al., 1984 | gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 12.9 ± 2.0 | kcal/mol | IMRE | Caldwell, Rozeboom, et al., 1984 | gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale |
C3H5O- + = (C3H5O- •
)
By formula: C3H5O- + H2O = (C3H5O- • H2O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 15.8 ± 1.0 | kcal/mol | TDAs | Meot-ner, 1988 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 9.7 ± 1.0 | kcal/mol | TDAs | Meot-ner, 1988 | gas phase |
References
Go To: Top, Ion clustering data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Meot-ner, 1988
Meot-ner, M.,
The Ionic Hydrogen Bond and Solvation. 7. Interaction Energies of Carbanions with Solvent Molecules,
J. Am. Chem. Soc., 1988, 110, 12, 3858, https://doi.org/10.1021/ja00220a022
. [all data]
Sheldon and Bowie, 1983
Sheldon, J.C.; Bowie, J.H.,
The Reactions of {F-..HOMe} and {MeCO2-..HF} Negative Ions with Acetaldehyde and Acetone.,
Aust. J. Chem., 1983, 36, 2, 289, https://doi.org/10.1071/CH9830289
. [all data]
Caldwell, Rozeboom, et al., 1984
Caldwell, G.; Rozeboom, M.D.; Kiplinger, J.P.; Bartmess, J.E.,
Anion-alcohol hydrogen bond strengths in the gas phase,
J. Am. Chem. Soc., 1984, 106, 4660. [all data]
Paul and Kebarle, 1990
Paul, G.J.C.; Kebarle, P.,
Thermodynamics of the Association Reactions OH- - H2O = HOHOH- and CH3O- - CH3OH = CH3OHOCH3- in the Gas Phase,
J. Phys. Chem., 1990, 94, 12, 5184, https://doi.org/10.1021/j100375a076
. [all data]
Meot-ner and Sieck, 1986
Meot-ner, M.; Sieck, L.W.,
Relative acidities of water and methanol, and the stabilities of the dimer adducts,
J. Phys. Chem., 1986, 90, 6687. [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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