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Isopropyl alcohol, 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

C3H9O+ + Ethanol = (C3H9O+ bullet Ethanol)

By formula: C3H9O+ + C2H6O = (C3H9O+ bullet C2H6O)

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

Quantity Value Units Method Reference Comment
Deltar31.9kcal/molICRBomse and Beauchamp, 1981gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984
Quantity Value Units Method Reference Comment
Deltar28.2cal/mol*KN/ABomse and Beauchamp, 1981gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984
Quantity Value Units Method Reference Comment
Deltar23.5kcal/molICRBomse and Beauchamp, 1981gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984

C3H9O+ + Isopropyl Alcohol = (C3H9O+ bullet Isopropyl Alcohol)

By formula: C3H9O+ + C3H8O = (C3H9O+ bullet C3H8O)

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

Quantity Value Units Method Reference Comment
Deltar31.9kcal/molICRBomse and Beauchamp, 1981gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984
Quantity Value Units Method Reference Comment
Deltar29.6cal/mol*KN/ABomse and Beauchamp, 1981gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984
Quantity Value Units Method Reference Comment
Deltar23.1kcal/molICRBomse and Beauchamp, 1981gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984

C3H9O+ + Water = (C3H9O+ bullet Water)

By formula: C3H9O+ + H2O = (C3H9O+ bullet H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar16.3kcal/molPHPMSHiraoka, Takimoto, et al., 1986gas phase; unusually small «DELTA»rH and «DELTA»rS
Deltar13.5kcal/molHPMSBeggs and Field, 1971gas phase
Quantity Value Units Method Reference Comment
Deltar13.7cal/mol*KPHPMSHiraoka, Takimoto, et al., 1986gas phase; unusually small «DELTA»rH and «DELTA»rS
Deltar12.7cal/mol*KHPMSBeggs and Field, 1971gas phase

(C3H9O+ bullet Water) + Water = (C3H9O+ bullet 2Water)

By formula: (C3H9O+ bullet H2O) + H2O = (C3H9O+ bullet 2H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar16.4kcal/molPHPMSHiraoka, Takimoto, et al., 1986gas phase
Deltar14.9kcal/molHPMSBeggs and Field, 1971gas phase
Quantity Value Units Method Reference Comment
Deltar24.1cal/mol*KPHPMSHiraoka, Takimoto, et al., 1986gas phase
Deltar21.5cal/mol*KHPMSBeggs and Field, 1971gas phase

(C3H9O+ bullet 6Water) + Water = (C3H9O+ bullet 7Water)

By formula: (C3H9O+ bullet 6H2O) + H2O = (C3H9O+ bullet 7H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar7.9kcal/molPHPMSHiraoka, Takimoto, et al., 1986gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Deltar20.cal/mol*KN/AHiraoka, Takimoto, et al., 1986gas phase; Entropy change calculated or estimated

(C3H9O+ bullet 2Water) + Water = (C3H9O+ bullet 3Water)

By formula: (C3H9O+ bullet 2H2O) + H2O = (C3H9O+ bullet 3H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar12.5kcal/molPHPMSHiraoka, Takimoto, et al., 1986gas phase
Quantity Value Units Method Reference Comment
Deltar23.6cal/mol*KPHPMSHiraoka, Takimoto, et al., 1986gas phase

(C3H9O+ bullet 3Water) + Water = (C3H9O+ bullet 4Water)

By formula: (C3H9O+ bullet 3H2O) + H2O = (C3H9O+ bullet 4H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar10.5kcal/molPHPMSHiraoka, Takimoto, et al., 1986gas phase
Quantity Value Units Method Reference Comment
Deltar21.5cal/mol*KPHPMSHiraoka, Takimoto, et al., 1986gas phase

(C3H9O+ bullet 4Water) + Water = (C3H9O+ bullet 5Water)

By formula: (C3H9O+ bullet 4H2O) + H2O = (C3H9O+ bullet 5H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar9.6kcal/molPHPMSHiraoka, Takimoto, et al., 1986gas phase
Quantity Value Units Method Reference Comment
Deltar21.9cal/mol*KPHPMSHiraoka, Takimoto, et al., 1986gas phase

(C3H9O+ bullet 5Water) + Water = (C3H9O+ bullet 6Water)

By formula: (C3H9O+ bullet 5H2O) + H2O = (C3H9O+ bullet 6H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar8.8kcal/molPHPMSHiraoka, Takimoto, et al., 1986gas phase
Quantity Value Units Method Reference Comment
Deltar21.3cal/mol*KPHPMSHiraoka, Takimoto, et al., 1986gas phase

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

C3H9O+ + Ethanol = (C3H9O+ bullet Ethanol)

By formula: C3H9O+ + C2H6O = (C3H9O+ bullet C2H6O)

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

Quantity Value Units Method Reference Comment
Deltar31.9kcal/molICRBomse and Beauchamp, 1981gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984
Quantity Value Units Method Reference Comment
Deltar28.2cal/mol*KN/ABomse and Beauchamp, 1981gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984
Quantity Value Units Method Reference Comment
Deltar23.5kcal/molICRBomse and Beauchamp, 1981gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984

C3H9O+ + Isopropyl Alcohol = (C3H9O+ bullet Isopropyl Alcohol)

By formula: C3H9O+ + C3H8O = (C3H9O+ bullet C3H8O)

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

Quantity Value Units Method Reference Comment
Deltar31.9kcal/molICRBomse and Beauchamp, 1981gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984
Quantity Value Units Method Reference Comment
Deltar29.6cal/mol*KN/ABomse and Beauchamp, 1981gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984
Quantity Value Units Method Reference Comment
Deltar23.1kcal/molICRBomse and Beauchamp, 1981gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984

C3H9O+ + Water = (C3H9O+ bullet Water)

By formula: C3H9O+ + H2O = (C3H9O+ bullet H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar16.3kcal/molPHPMSHiraoka, Takimoto, et al., 1986gas phase; unusually small «DELTA»rH and «DELTA»rS
Deltar13.5kcal/molHPMSBeggs and Field, 1971gas phase
Quantity Value Units Method Reference Comment
Deltar13.7cal/mol*KPHPMSHiraoka, Takimoto, et al., 1986gas phase; unusually small «DELTA»rH and «DELTA»rS
Deltar12.7cal/mol*KHPMSBeggs and Field, 1971gas phase

(C3H9O+ bullet Water) + Water = (C3H9O+ bullet 2Water)

By formula: (C3H9O+ bullet H2O) + H2O = (C3H9O+ bullet 2H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar16.4kcal/molPHPMSHiraoka, Takimoto, et al., 1986gas phase
Deltar14.9kcal/molHPMSBeggs and Field, 1971gas phase
Quantity Value Units Method Reference Comment
Deltar24.1cal/mol*KPHPMSHiraoka, Takimoto, et al., 1986gas phase
Deltar21.5cal/mol*KHPMSBeggs and Field, 1971gas phase

(C3H9O+ bullet 2Water) + Water = (C3H9O+ bullet 3Water)

By formula: (C3H9O+ bullet 2H2O) + H2O = (C3H9O+ bullet 3H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar12.5kcal/molPHPMSHiraoka, Takimoto, et al., 1986gas phase
Quantity Value Units Method Reference Comment
Deltar23.6cal/mol*KPHPMSHiraoka, Takimoto, et al., 1986gas phase

(C3H9O+ bullet 3Water) + Water = (C3H9O+ bullet 4Water)

By formula: (C3H9O+ bullet 3H2O) + H2O = (C3H9O+ bullet 4H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar10.5kcal/molPHPMSHiraoka, Takimoto, et al., 1986gas phase
Quantity Value Units Method Reference Comment
Deltar21.5cal/mol*KPHPMSHiraoka, Takimoto, et al., 1986gas phase

(C3H9O+ bullet 4Water) + Water = (C3H9O+ bullet 5Water)

By formula: (C3H9O+ bullet 4H2O) + H2O = (C3H9O+ bullet 5H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar9.6kcal/molPHPMSHiraoka, Takimoto, et al., 1986gas phase
Quantity Value Units Method Reference Comment
Deltar21.9cal/mol*KPHPMSHiraoka, Takimoto, et al., 1986gas phase

(C3H9O+ bullet 5Water) + Water = (C3H9O+ bullet 6Water)

By formula: (C3H9O+ bullet 5H2O) + H2O = (C3H9O+ bullet 6H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar8.8kcal/molPHPMSHiraoka, Takimoto, et al., 1986gas phase
Quantity Value Units Method Reference Comment
Deltar21.3cal/mol*KPHPMSHiraoka, Takimoto, et al., 1986gas phase

(C3H9O+ bullet 6Water) + Water = (C3H9O+ bullet 7Water)

By formula: (C3H9O+ bullet 6H2O) + H2O = (C3H9O+ bullet 7H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar7.9kcal/molPHPMSHiraoka, Takimoto, et al., 1986gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Deltar20.cal/mol*KN/AHiraoka, Takimoto, et al., 1986gas 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.

Bomse and Beauchamp, 1981
Bomse, D.S.; Beauchamp, J.L., Slow Multiphoton Excitation as a Probe of Bimolecular and Unimolecular Reaction Energetics. Multiphoton Dissociation of Proton-Bound Alcohol Dimers, J. Am. Chem. Soc., 1981, 103, 12, 3292, https://doi.org/10.1021/ja00402a011 . [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]

Hiraoka, Takimoto, et al., 1986
Hiraoka, K.; Takimoto, H.; Morise, K., Gas-Phase Hydration Reactions of Protonated Alcohols. Energetics and Bulk Hydration of Cluster Ions, J. Am. Chem. Soc., 1986, 108, 19, 5683, https://doi.org/10.1021/ja00279a004 . [all data]

Beggs and Field, 1971
Beggs, D.P.; Field, F.H., Reversible Reactions of Gas Phase Ions. II. Propane-Water System, J. Am. Chem. Soc., 1971, 93, 7, 1576, https://doi.org/10.1021/ja00736a002 . [all data]


Notes

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