Cyclopropyl methyl ketone, protonated


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

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Individual Reactions

(C5H9O+ • 3Water) + Water = (C5H9O+ • 4Water)

By formula: (C5H9O+ • 3H2O) + H2O = (C5H9O+ • 4H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr41.8kJ/molPHPMSMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Δr88.3J/mol*KN/AMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
17.284.PHPMSMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated

(C5H9O+ • 4Water) + Water = (C5H9O+ • 5Water)

By formula: (C5H9O+ • 4H2O) + H2O = (C5H9O+ • 5H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr41.kJ/molPHPMSMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Δr91.2J/mol*KN/AMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
15.281.PHPMSMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated

C5H9O+ + Ethanone, 1-cyclopropyl- = (C5H9O+ • Ethanone, 1-cyclopropyl-)

By formula: C5H9O+ + C5H8O = (C5H9O+ • C5H8O)

Bond type: Hydrogen bonds of the type OH-O between organics

Quantity Value Units Method Reference Comment
Δr113.kJ/molPHPMSSzulejko and McMahon, 1991gas phase
Quantity Value Units Method Reference Comment
Δr123.J/mol*KPHPMSSzulejko and McMahon, 1991gas phase

(C5H9O+ • 2Water) + Water = (C5H9O+ • 3Water)

By formula: (C5H9O+ • 2H2O) + H2O = (C5H9O+ • 3H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr42.7kJ/molPHPMSMeot-Ner (Mautner), 1984gas phase
Quantity Value Units Method Reference Comment
Δr80.8J/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase

(C5H9O+ • Water) + Water = (C5H9O+ • 2Water)

By formula: (C5H9O+ • H2O) + H2O = (C5H9O+ • 2H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr49.4kJ/molPHPMSMeot-Ner (Mautner), 1984gas phase
Quantity Value Units Method Reference Comment
Δr87.0J/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase

C5H9O+ + Water = (C5H9O+ • Water)

By formula: C5H9O+ + H2O = (C5H9O+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr76.1kJ/molPHPMSMeot-Ner (Mautner), 1984gas phase
Quantity Value Units Method Reference Comment
Δr112.J/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase

C5H9O+ + Acetonitrile = (C5H9O+ • Acetonitrile)

By formula: C5H9O+ + C2H3N = (C5H9O+ • C2H3N)

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
73.2320.ICRBromilow, Abboud, et al., 1980gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973

References

Go To: Top, Reaction thermochemistry data, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Meot-Ner (Mautner), 1984
Meot-Ner (Mautner), M., The Ionic Hydrogen Bond and Ion Solvation. 2. Hydration of Onium Ions by 1 - 7 H2O Molecules. Relations Between Monomolecular, Specific and Bulk Hydration, J. Am. Chem. Soc., 1984, 106, 5, 1265, https://doi.org/10.1021/ja00317a016 . [all data]

Szulejko and McMahon, 1991
Szulejko, J.E.; McMahon, T.B., A Pulsed Electron Beam, Variable Temperature, High Pressure Mass Spectrometric Reevaluation of the Proton Affinity Difference Between 2-Methylpropene and Ammonia, Int. J. Mass Spectrom. Ion Proc., 1991, 109, 279, https://doi.org/10.1016/0168-1176(91)85109-Y . [all data]

Bromilow, Abboud, et al., 1980
Bromilow, J.; Abboud, J.L.M.; Lebrilla, C.B.; Taft, R.W.; Scorrano, G.; Lucchini, V., Oxonium Ions. Solvation by Single Acetonitrile Molecules in the Gas Phase and by Bulk Solvents, J. Am. Chem. Soc., 1980, 103, 18, 5448, https://doi.org/10.1021/ja00408a028 . [all data]

Grimsrud and Kebarle, 1973
Grimsrud, E.P.; Kebarle, P., Gas Phase Ion Equilibria Studies of the Solvation of the Hydrogen Ion by Methanol, Dimethyl Ether and Water. Effect of Hydrogen Bonding, J. Am. Chem. Soc., 1973, 95, 24, 7939, https://doi.org/10.1021/ja00805a002 . [all data]


Notes

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