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

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

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
Δr10.0kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Δr21.1cal/mol*KN/AMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
4.0284.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
Δr9.7kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Δr21.8cal/mol*KN/AMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
3.5281.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
Δr27.1kcal/molPHPMSSzulejko and McMahon, 1991gas phase
Quantity Value Units Method Reference Comment
Δr29.4cal/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
Δr10.2kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase
Quantity Value Units Method Reference Comment
Δr19.3cal/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
Δr11.8kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase
Quantity Value Units Method Reference Comment
Δr20.8cal/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
Δr18.2kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase
Quantity Value Units Method Reference Comment
Δr26.8cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase

C5H9O+ + Acetonitrile = (C5H9O+ • Acetonitrile)

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

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
17.5320.ICRBromilow, Abboud, et al., 1980gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973

Ion clustering 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: 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

C5H9O+ + Acetonitrile = (C5H9O+ • Acetonitrile)

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

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
17.5320.ICRBromilow, Abboud, et al., 1980gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973

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
Δr27.1kcal/molPHPMSSzulejko and McMahon, 1991gas phase
Quantity Value Units Method Reference Comment
Δr29.4cal/mol*KPHPMSSzulejko and McMahon, 1991gas 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
Δr18.2kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase
Quantity Value Units Method Reference Comment
Δr26.8cal/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
Δr11.8kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase
Quantity Value Units Method Reference Comment
Δr20.8cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas 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
Δr10.2kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase
Quantity Value Units Method Reference Comment
Δr19.3cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase

(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
Δr10.0kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Δr21.1cal/mol*KN/AMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
4.0284.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
Δr9.7kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Δr21.8cal/mol*KN/AMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
3.5281.PHPMSMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated

References

Go To: Top, Reaction thermochemistry data, 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 (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

Go To: Top, Reaction thermochemistry data, Ion clustering data, References