CH2COCH3, positive ion


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: Michael M. Meot-Ner (Mautner) and Sharon G. Lias

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

C3H5O+ + Acetonitrile = (C3H5O+ • Acetonitrile)

By formula: C3H5O+ + C2H3N = (C3H5O+ • C2H3N)

Quantity Value Units Method Reference Comment
Δr64.0kJ/molPHPMSMeot-ner, 1988gas phase
Quantity Value Units Method Reference Comment
Δr79.1J/mol*KPHPMSMeot-ner, 1988gas phase

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
39.295.FAMackay, Rakshit, et al., 1982gas phase

C3H5O+ + Acetone = (C3H5O+ • Acetone)

By formula: C3H5O+ + C3H6O = (C3H5O+ • C3H6O)

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
35.295.FAMackay, Rakshit, et al., 1982gas phase

C3H5O+ + 1-Propanol = (C3H5O+ • 1-Propanol)

By formula: C3H5O+ + C3H8O = (C3H5O+ • C3H8O)

Quantity Value Units Method Reference Comment
Δr90.8kJ/molICRCaldwell, Rozeboom, et al., 1984gas phase; switching reaction(CH3O-)CH3OH, Entropy change calculated or estimated; re-evaluated using Meot-Ner(Mautner), 1986 and Paul and Kebarle, 1990
Quantity Value Units Method Reference Comment
Δr123.J/mol*KN/ACaldwell, Rozeboom, et al., 1984gas phase; switching reaction(CH3O-)CH3OH, Entropy change calculated or estimated; re-evaluated using Meot-Ner(Mautner), 1986 and Paul and Kebarle, 1990
Quantity Value Units Method Reference Comment
Δr54.4kJ/molICRCaldwell, Rozeboom, et al., 1984gas phase; switching reaction(CH3O-)CH3OH, Entropy change calculated or estimated; re-evaluated using Meot-Ner(Mautner), 1986 and Paul and Kebarle, 1990

C3H5O+ + Water = (C3H5O+ • Water)

By formula: C3H5O+ + H2O = (C3H5O+ • H2O)

Quantity Value Units Method Reference Comment
Δr66.1kJ/molPHPMSMeot-ner, 1988gas phase
Quantity Value Units Method Reference Comment
Δr84.9J/mol*KPHPMSMeot-ner, 1988gas phase

(C3H5O+ • Water) + Water = (C3H5O+ • 2Water)

By formula: (C3H5O+ • H2O) + H2O = (C3H5O+ • 2H2O)

Quantity Value Units Method Reference Comment
Δr58.2kJ/molPHPMSMeot-ner, 1988gas phase
Quantity Value Units Method Reference Comment
Δr95.4J/mol*KPHPMSMeot-ner, 1988gas phase

(C3H5O+ • 2Water) + Water = (C3H5O+ • 3Water)

By formula: (C3H5O+ • 2H2O) + H2O = (C3H5O+ • 3H2O)

Quantity Value Units Method Reference Comment
Δr54.4kJ/molPHPMSMeot-ner, 1988gas phase
Quantity Value Units Method Reference Comment
Δr115.J/mol*KPHPMSMeot-ner, 1988gas phase

(C3H5O+ • 3Water) + Water = (C3H5O+ • 4Water)

By formula: (C3H5O+ • 3H2O) + H2O = (C3H5O+ • 4H2O)

Quantity Value Units Method Reference Comment
Δr45.2kJ/molPHPMSMeot-ner, 1988gas phase
Quantity Value Units Method Reference Comment
Δr101.J/mol*KPHPMSMeot-ner, 1988gas 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]

Mackay, Rakshit, et al., 1982
Mackay, G.I.; Rakshit, A.B.; Bohme, D.K., An Experimental Study of the Reactivity and Relative Basicity of the Methoxide Anion in the Gas Phase at Room Temperature, and their Perturbation by Methanol Solvent, Can. J. Chem., 1982, 60, 20, 2594, https://doi.org/10.1139/v82-373 . [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]

Meot-Ner(Mautner), 1986
Meot-Ner(Mautner), M., Comparative Stabilities of Cationic and Anionic Hydrogen-Bonded Networks. Mixed Clusters of Water-Methanol, J. Am. Chem. Soc., 1986, 108, 20, 6189, https://doi.org/10.1021/ja00280a014 . [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]


Notes

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