Ethanol, 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

C2H7O+ + Ethanol = (C2H7O+ • Ethanol)

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

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

Quantity Value Units Method Reference Comment
Δr134.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
Δr135.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
Δr119.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
Δr119.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
Δr98.3kJ/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
Δr99.2kJ/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+ + Methyl Alcohol = (C2H7O+ • Methyl Alcohol)

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

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

Quantity Value Units Method Reference Comment
Δr124.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
Δr111.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
Δr90.8kJ/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+ • Acetaldehyde)

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

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

Quantity Value Units Method Reference Comment
Δr131.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
Δr113.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
Δr97.1kJ/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+ • 2Water) + Water = (C2H7O+ • 3Water)

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr56.1kJ/molPHPMSHiraoka, Takimoto, et al., 1986gas phase
Δr59.4kJ/molPHPMSKebarle, 1977gas phase
Quantity Value Units Method Reference Comment
Δr103.J/mol*KPHPMSHiraoka, Takimoto, et al., 1986gas phase
Δr110.J/mol*KPHPMSKebarle, 1977gas phase

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

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr47.3kJ/molPHPMSHiraoka, Takimoto, et al., 1986gas phase
Δr52.3kJ/molPHPMSKebarle, 1977gas phase
Quantity Value Units Method Reference Comment
Δr95.4J/mol*KPHPMSHiraoka, Takimoto, et al., 1986gas phase
Δr110.J/mol*KPHPMSKebarle, 1977gas phase

(C2H7O+ • Water) + Water = (C2H7O+ • 2Water)

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr78.2kJ/molPHPMSHiraoka, Takimoto, et al., 1986gas phase
Δr80.3kJ/molPHPMSKebarle, 1977gas phase
Quantity Value Units Method Reference Comment
Δr113.J/mol*KPHPMSHiraoka, Takimoto, et al., 1986gas phase
Δr120.J/mol*KPHPMSKebarle, 1977gas phase

C2H7O+ + Benzene = (C2H7O+ • Benzene)

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

Quantity Value Units Method Reference Comment
Δr88.kJ/molPHPMSDeakyne and Meot-Ner (Mautner), 1985gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Δr100.J/mol*KN/ADeakyne and Meot-Ner (Mautner), 1985gas phase; Entropy change calculated or estimated

Free energy of reaction

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

C2H7O+ + Water = (C2H7O+ • Water)

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr111.kJ/molPHPMSHiraoka, Takimoto, et al., 1986gas phase
Δr100.kJ/molPHPMSKebarle, 1977gas phase
Quantity Value Units Method Reference Comment
Δr128.J/mol*KPHPMSHiraoka, Takimoto, et al., 1986gas phase
Δr110.J/mol*KPHPMSKebarle, 1977gas phase

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

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr41.kJ/molPHPMSHiraoka, Takimoto, et al., 1986gas phase
Quantity Value Units Method Reference Comment
Δr87.4J/mol*KPHPMSHiraoka, Takimoto, et al., 1986gas phase

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

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr54.8kJ/molPHPMSKebarle, 1977gas phase
Quantity Value Units Method Reference Comment
Δr120.J/mol*KPHPMSKebarle, 1977gas phase

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.

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]

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]

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]


Notes

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