Home Symbol which looks like a small house Up Solid circle with an upward pointer in it

Ethanol, protonated


Ion clustering data

Go To: Top, 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

C2H7O+ + Methyl Alcohol = (C2H7O+ bullet Methyl Alcohol)

By formula: C2H7O+ + CH4O = (C2H7O+ bullet CH4O)

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

Quantity Value Units Method Reference Comment
Deltar124.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
Deltar111.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
Deltar90.8kJ/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

C2H7O+ + Acetaldehyde = (C2H7O+ bullet Acetaldehyde)

By formula: C2H7O+ + C2H4O = (C2H7O+ bullet C2H4O)

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

Quantity Value Units Method Reference Comment
Deltar131.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
Deltar113.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
Deltar97.1kJ/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

C2H7O+ + Ethanol = (C2H7O+ bullet Ethanol)

By formula: C2H7O+ + C2H6O = (C2H7O+ bullet C2H6O)

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

Quantity Value Units Method Reference Comment
Deltar134.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
Deltar135.kJ/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
Deltar119.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
Deltar119.J/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
Deltar98.3kJ/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
Deltar99.2kJ/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

C2H7O+ + Benzene = (C2H7O+ bullet Benzene)

By formula: C2H7O+ + C6H6 = (C2H7O+ bullet C6H6)

Quantity Value Units Method Reference Comment
Deltar88.kJ/molPHPMSDeakyne and Meot-Ner (Mautner), 1985gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Deltar100.J/mol*KN/ADeakyne and Meot-Ner (Mautner), 1985gas phase; Entropy change calculated or estimated

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
36.491.PHPMSDeakyne and Meot-Ner (Mautner), 1985gas phase; Entropy change calculated or estimated

C2H7O+ + Water = (C2H7O+ bullet Water)

By formula: C2H7O+ + H2O = (C2H7O+ bullet H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar111.kJ/molPHPMSHiraoka, Takimoto, et al., 1986gas phase
Deltar100.kJ/molPHPMSKebarle, 1977gas phase
Quantity Value Units Method Reference Comment
Deltar128.J/mol*KPHPMSHiraoka, Takimoto, et al., 1986gas phase
Deltar110.J/mol*KPHPMSKebarle, 1977gas phase

(C2H7O+ bullet Water) + Water = (C2H7O+ bullet 2Water)

By formula: (C2H7O+ bullet H2O) + H2O = (C2H7O+ bullet 2H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar78.2kJ/molPHPMSHiraoka, Takimoto, et al., 1986gas phase
Deltar80.3kJ/molPHPMSKebarle, 1977gas phase
Quantity Value Units Method Reference Comment
Deltar113.J/mol*KPHPMSHiraoka, Takimoto, et al., 1986gas phase
Deltar120.J/mol*KPHPMSKebarle, 1977gas phase

(C2H7O+ bullet 2Water) + Water = (C2H7O+ bullet 3Water)

By formula: (C2H7O+ bullet 2H2O) + H2O = (C2H7O+ bullet 3H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar56.1kJ/molPHPMSHiraoka, Takimoto, et al., 1986gas phase
Deltar59.4kJ/molPHPMSKebarle, 1977gas phase
Quantity Value Units Method Reference Comment
Deltar103.J/mol*KPHPMSHiraoka, Takimoto, et al., 1986gas phase
Deltar110.J/mol*KPHPMSKebarle, 1977gas phase

(C2H7O+ bullet 3Water) + Water = (C2H7O+ bullet 4Water)

By formula: (C2H7O+ bullet 3H2O) + H2O = (C2H7O+ bullet 4H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar47.3kJ/molPHPMSHiraoka, Takimoto, et al., 1986gas phase
Deltar52.3kJ/molPHPMSKebarle, 1977gas phase
Quantity Value Units Method Reference Comment
Deltar95.4J/mol*KPHPMSHiraoka, Takimoto, et al., 1986gas phase
Deltar110.J/mol*KPHPMSKebarle, 1977gas phase

(C2H7O+ bullet 4Water) + Water = (C2H7O+ bullet 5Water)

By formula: (C2H7O+ bullet 4H2O) + H2O = (C2H7O+ bullet 5H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar41.kJ/molPHPMSHiraoka, Takimoto, et al., 1986gas phase
Quantity Value Units Method Reference Comment
Deltar87.4J/mol*KPHPMSHiraoka, Takimoto, et al., 1986gas phase

(C2H7O+ bullet 5Water) + Water = (C2H7O+ bullet 6Water)

By formula: (C2H7O+ bullet 5H2O) + H2O = (C2H7O+ bullet 6H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar54.8kJ/molPHPMSKebarle, 1977gas phase
Quantity Value Units Method Reference Comment
Deltar120.J/mol*KPHPMSKebarle, 1977gas 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.

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]

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]

Deakyne and Meot-Ner (Mautner), 1985
Deakyne, C.A.; Meot-Ner (Mautner), M., Unconventional Ionic Hydrogen Bonds. 2. NH+ pi. Complexes of Onium Ions with Olefins and Benzene Derivatives, J. Am. Chem. Soc., 1985, 107, 2, 474, https://doi.org/10.1021/ja00288a034 . [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]

Kebarle, 1977
Kebarle, P., Ion Thermochemistry and Solvation from Gas Phase Ion Equilibria, Ann. Rev. Phys. Chem., 1977, 28, 1, 445, https://doi.org/10.1146/annurev.pc.28.100177.002305 . [all data]


Notes

Go To: Top, Ion clustering data, References