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Acetone, protonated


Reaction thermochemistry data

Go To: Top, Ion clustering 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. 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

C3H7O+ + Acetone = (C3H7O+ bullet Acetone)

By formula: C3H7O+ + C3H6O = (C3H7O+ bullet C3H6O)

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

Quantity Value Units Method Reference Comment
Deltar128.kJ/molPHPMSMeot-Ner (Mautner) and Sieck, 1991gas phase
Deltar126.kJ/molPHPMSSzulejko and McMahon, 1991gas phase
Deltar124.kJ/molPHPMSHiraoka and Takimoto, 1986gas phase
Deltar132.kJ/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986
Deltar126.kJ/molPHPMSLau, Saluja, et al., 1980gas phase
Quantity Value Units Method Reference Comment
Deltar118.J/mol*KPHPMSMeot-Ner (Mautner) and Sieck, 1991gas phase
Deltar128.J/mol*KPHPMSSzulejko and McMahon, 1991gas phase
Deltar123.J/mol*KPHPMSHiraoka and Takimoto, 1986gas phase
Deltar129.J/mol*KN/ALarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986
Deltar127.J/mol*KPHPMSLau, Saluja, et al., 1980gas phase
Quantity Value Units Method Reference Comment
Deltar93.3kJ/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986

C3H7O+ + 1,4-Dioxane = (C3H7O+ bullet 1,4-Dioxane)

By formula: C3H7O+ + C4H8O2 = (C3H7O+ bullet C4H8O2)

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

Quantity Value Units Method Reference Comment
Deltar126.kJ/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986
Quantity Value Units Method Reference Comment
Deltar126.J/mol*KN/ALarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986
Quantity Value Units Method Reference Comment
Deltar87.9kJ/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986

(C3H7O+ bullet 2Acetone) + Acetone = (C3H7O+ bullet 3Acetone)

By formula: (C3H7O+ bullet 2C3H6O) + C3H6O = (C3H7O+ bullet 3C3H6O)

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

Quantity Value Units Method Reference Comment
Deltar36.kJ/molPHPMSHiraoka, Takimoto, et al., 1986gas phase
Quantity Value Units Method Reference Comment
Deltar71.1J/mol*KPHPMSHiraoka, Takimoto, et al., 1986gas phase

(C3H7O+ bullet Acetone) + Acetone = (C3H7O+ bullet 2Acetone)

By formula: (C3H7O+ bullet C3H6O) + C3H6O = (C3H7O+ bullet 2C3H6O)

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

Quantity Value Units Method Reference Comment
Deltar51.0kJ/molPHPMSHiraoka, Morise, et al., 1986gas phase
Quantity Value Units Method Reference Comment
Deltar96.2J/mol*KPHPMSHiraoka, Morise, et al., 1986gas phase

(C3H7O+ bullet 2Water) + Water = (C3H7O+ bullet 3Water)

By formula: (C3H7O+ bullet 2H2O) + H2O = (C3H7O+ bullet 3H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar53.1kJ/molPHPMSMeot-Ner (Mautner), 1984gas phase
Quantity Value Units Method Reference Comment
Deltar91.6J/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase

(C3H7O+ bullet 3Water) + Water = (C3H7O+ bullet 4Water)

By formula: (C3H7O+ bullet 3H2O) + H2O = (C3H7O+ bullet 4H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar43.1kJ/molPHPMSMeot-Ner (Mautner), 1984gas phase
Quantity Value Units Method Reference Comment
Deltar84.5J/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase

(C3H7O+ bullet 4Water) + Water = (C3H7O+ bullet 5Water)

By formula: (C3H7O+ bullet 4H2O) + H2O = (C3H7O+ bullet 5H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar43.1kJ/molPHPMSMeot-Ner (Mautner), 1984gas phase
Quantity Value Units Method Reference Comment
Deltar98.3J/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase

(C3H7O+ bullet Water) + Water = (C3H7O+ bullet 2Water)

By formula: (C3H7O+ bullet H2O) + H2O = (C3H7O+ bullet 2H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar56.9kJ/molPHPMSMeot-Ner (Mautner), 1984gas phase
Quantity Value Units Method Reference Comment
Deltar97.1J/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase

C3H7O+ + Water = (C3H7O+ bullet Water)

By formula: C3H7O+ + H2O = (C3H7O+ bullet H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar85.8kJ/molPHPMSMeot-Ner (Mautner), 1984gas phase
Quantity Value Units Method Reference Comment
Deltar109.J/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase

C3H7O+ + Hydrogen cyanide = (C3H7O+ bullet Hydrogen cyanide)

By formula: C3H7O+ + CHN = (C3H7O+ bullet CHN)

Quantity Value Units Method Reference Comment
Deltar85.4kJ/molPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase
Quantity Value Units Method Reference Comment
Deltar98.7J/mol*KPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase

C3H7O+ + Acetonitrile = (C3H7O+ bullet Acetonitrile)

By formula: C3H7O+ + C2H3N = (C3H7O+ bullet C2H3N)

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
87.0320.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

C3H7O+ + Hydrogen cyanide = (C3H7O+ bullet Hydrogen cyanide)

By formula: C3H7O+ + CHN = (C3H7O+ bullet CHN)

Quantity Value Units Method Reference Comment
Deltar85.4kJ/molPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase
Quantity Value Units Method Reference Comment
Deltar98.7J/mol*KPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase

C3H7O+ + Acetonitrile = (C3H7O+ bullet Acetonitrile)

By formula: C3H7O+ + C2H3N = (C3H7O+ bullet C2H3N)

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
87.0320.ICRBromilow, Abboud, et al., 1980gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973

C3H7O+ + Acetone = (C3H7O+ bullet Acetone)

By formula: C3H7O+ + C3H6O = (C3H7O+ bullet C3H6O)

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

Quantity Value Units Method Reference Comment
Deltar128.kJ/molPHPMSMeot-Ner (Mautner) and Sieck, 1991gas phase
Deltar126.kJ/molPHPMSSzulejko and McMahon, 1991gas phase
Deltar124.kJ/molPHPMSHiraoka and Takimoto, 1986gas phase
Deltar132.kJ/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986
Deltar126.kJ/molPHPMSLau, Saluja, et al., 1980gas phase
Quantity Value Units Method Reference Comment
Deltar118.J/mol*KPHPMSMeot-Ner (Mautner) and Sieck, 1991gas phase
Deltar128.J/mol*KPHPMSSzulejko and McMahon, 1991gas phase
Deltar123.J/mol*KPHPMSHiraoka and Takimoto, 1986gas phase
Deltar129.J/mol*KN/ALarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986
Deltar127.J/mol*KPHPMSLau, Saluja, et al., 1980gas phase
Quantity Value Units Method Reference Comment
Deltar93.3kJ/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986

(C3H7O+ bullet Acetone) + Acetone = (C3H7O+ bullet 2Acetone)

By formula: (C3H7O+ bullet C3H6O) + C3H6O = (C3H7O+ bullet 2C3H6O)

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

Quantity Value Units Method Reference Comment
Deltar51.0kJ/molPHPMSHiraoka, Morise, et al., 1986gas phase
Quantity Value Units Method Reference Comment
Deltar96.2J/mol*KPHPMSHiraoka, Morise, et al., 1986gas phase

(C3H7O+ bullet 2Acetone) + Acetone = (C3H7O+ bullet 3Acetone)

By formula: (C3H7O+ bullet 2C3H6O) + C3H6O = (C3H7O+ bullet 3C3H6O)

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

Quantity Value Units Method Reference Comment
Deltar36.kJ/molPHPMSHiraoka, Takimoto, et al., 1986gas phase
Quantity Value Units Method Reference Comment
Deltar71.1J/mol*KPHPMSHiraoka, Takimoto, et al., 1986gas phase

C3H7O+ + 1,4-Dioxane = (C3H7O+ bullet 1,4-Dioxane)

By formula: C3H7O+ + C4H8O2 = (C3H7O+ bullet C4H8O2)

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

Quantity Value Units Method Reference Comment
Deltar126.kJ/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986
Quantity Value Units Method Reference Comment
Deltar126.J/mol*KN/ALarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986
Quantity Value Units Method Reference Comment
Deltar87.9kJ/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986

C3H7O+ + Water = (C3H7O+ bullet Water)

By formula: C3H7O+ + H2O = (C3H7O+ bullet H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar85.8kJ/molPHPMSMeot-Ner (Mautner), 1984gas phase
Quantity Value Units Method Reference Comment
Deltar109.J/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase

(C3H7O+ bullet Water) + Water = (C3H7O+ bullet 2Water)

By formula: (C3H7O+ bullet H2O) + H2O = (C3H7O+ bullet 2H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar56.9kJ/molPHPMSMeot-Ner (Mautner), 1984gas phase
Quantity Value Units Method Reference Comment
Deltar97.1J/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase

(C3H7O+ bullet 2Water) + Water = (C3H7O+ bullet 3Water)

By formula: (C3H7O+ bullet 2H2O) + H2O = (C3H7O+ bullet 3H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar53.1kJ/molPHPMSMeot-Ner (Mautner), 1984gas phase
Quantity Value Units Method Reference Comment
Deltar91.6J/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase

(C3H7O+ bullet 3Water) + Water = (C3H7O+ bullet 4Water)

By formula: (C3H7O+ bullet 3H2O) + H2O = (C3H7O+ bullet 4H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar43.1kJ/molPHPMSMeot-Ner (Mautner), 1984gas phase
Quantity Value Units Method Reference Comment
Deltar84.5J/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase

(C3H7O+ bullet 4Water) + Water = (C3H7O+ bullet 5Water)

By formula: (C3H7O+ bullet 4H2O) + H2O = (C3H7O+ bullet 5H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar43.1kJ/molPHPMSMeot-Ner (Mautner), 1984gas phase
Quantity Value Units Method Reference Comment
Deltar98.3J/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase

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) and Sieck, 1991
Meot-Ner (Mautner), M.; Sieck, L.W., Proton affinity ladders from variable-temperature equilibrium measurements. 1. A reevaluation of the upper proton affinity range, J. Am. Chem. Soc., 1991, 113, 12, 4448, https://doi.org/10.1021/ja00012a012 . [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]

Hiraoka and Takimoto, 1986
Hiraoka, K.; Takimoto, H., Gas-Phase Stabilities of Symmetric Proton-Held Dimer Cations, J. Phys. Chem., 1986, 90, 22, 5910, https://doi.org/10.1021/j100280a090 . [all data]

Larson and McMahon, 1982
Larson, J.W.; McMahon, T.B., Formation, Thermochemistry, and Relative Stabilities of Proton - Bound dimers of Oxygen n - Donor Bases from Ion Cyclotron Resonance Solvent - Exchange Equilibria Measurements, J. Am. Chem. Soc., 1982, 104, 23, 6255, https://doi.org/10.1021/ja00387a016 . [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]

Lias, Liebman, et al., 1984
Lias, S.G.; Liebman, J.F.; Levin, R.D., Evaluated gas phase basicities and proton affinities of molecules heats of formation of protonated molecules, J. Phys. Chem. Ref. Data, 1984, 13, 695. [all data]

Keesee and Castleman, 1986
Keesee, R.G.; Castleman, A.W., Jr., Thermochemical data on Ggs-phase ion-molecule association and clustering reactions, J. Phys. Chem. Ref. Data, 1986, 15, 1011. [all data]

Lau, Saluja, et al., 1980
Lau, Y.K.; Saluja, P.P.S.; Kebarle, P., The Proton in Dimethyl Sulfoxide and Acetone. Results from Gas - Phase Ion Equilibria Involving (Me2SO)nH+ and (Me2CO)nH+, J. Am. Chem. Soc., 1980, 102, 25, 7429, https://doi.org/10.1021/ja00545a004 . [all data]

Hiraoka, Takimoto, et al., 1986
Hiraoka, K.; Takimoto, H.; Morise, K.; Shoda, T.; Nakamura, S., Ion-Molecule Reactions in Gaseous Acetone, Bull. Chem. Soc. Japan, 1986, 59, 7, 2247, https://doi.org/10.1246/bcsj.59.2247 . [all data]

Hiraoka, Morise, et al., 1986
Hiraoka, K.; Morise, K.; Nishijima, T.; Nakamura, S.; Nakazato, M.; Ohkuma, K., Gas Phase Ion Equilibria Studies of Protons and Chloride Ions in Propanol and Acetone, Int. J. Mass Spectrom. Ion Proc., 1986, 68, 1-2, 99, https://doi.org/10.1016/0168-1176(86)87071-9 . [all data]

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]

Speller and Meot-Ner (Mautner), 1985
Speller, C.V.; Meot-Ner (Mautner), M., The Ionic Hydrogen Bond and Ion Solvation. 3. Bonds Involving Cyanides. Correlations with Proton Affinites, J. Phys. Chem., 1985, 81, 24, 5217, https://doi.org/10.1021/j100270a020 . [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]


Notes

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