Ethyl, 1-hydroxy, positive ion


Ion clustering 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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Clustering reactions

C2H5O+ + Hydrogen cyanide = (C2H5O+ • Hydrogen cyanide)

By formula: C2H5O+ + CHN = (C2H5O+ • CHN)

Quantity Value Units Method Reference Comment
Δr96.2kJ/molPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase
Quantity Value Units Method Reference Comment
Δr90.8J/mol*KPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase

C2H5O+ + Methyl Alcohol = (C2H5O+ • Methyl Alcohol)

By formula: C2H5O+ + CH4O = (C2H5O+ • CH4O)

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

Quantity Value Units Method Reference Comment
Δr127.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
Δr93.3kJ/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

C2H5O+ + Acetaldehyde = (C2H5O+ • Acetaldehyde)

By formula: C2H5O+ + C2H4O = (C2H5O+ • C2H4O)

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

Quantity Value Units Method Reference Comment
Δr133.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
Quantity Value Units Method Reference Comment
Δr121.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
Quantity Value Units Method Reference Comment
Δr97.5kJ/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

C2H5O+ + Water = (C2H5O+ • Water)

By formula: C2H5O+ + H2O = (C2H5O+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr105.kJ/molPHPMSMeot-Ner (Mautner), 1984gas phase
Quantity Value Units Method Reference Comment
Δr115.J/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase

(C2H5O+ • Water) + Water = (C2H5O+ • 2Water)

By formula: (C2H5O+ • H2O) + H2O = (C2H5O+ • 2H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr70.3kJ/molPHPMSMeot-Ner (Mautner), 1984gas phase
Quantity Value Units Method Reference Comment
Δr105.J/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase

(C2H5O+ • 2Water) + Water = (C2H5O+ • 3Water)

By formula: (C2H5O+ • 2H2O) + H2O = (C2H5O+ • 3H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr71.1kJ/molPHPMSMeot-Ner (Mautner), 1984gas phase
Quantity Value Units Method Reference Comment
Δr117.J/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase

(C2H5O+ • 3Water) + Water = (C2H5O+ • 4Water)

By formula: (C2H5O+ • 3H2O) + H2O = (C2H5O+ • 4H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr47.3kJ/molPHPMSMeot-Ner (Mautner), 1984gas phase
Quantity Value Units Method Reference Comment
Δr89.5J/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase

(C2H5O+ • 4Water) + Water = (C2H5O+ • 5Water)

By formula: (C2H5O+ • 4H2O) + H2O = (C2H5O+ • 5H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr39.kJ/molPHPMSMeot-Ner (Mautner), 1984gas phase
Quantity Value Units Method Reference Comment
Δr78.7J/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase

(C2H5O+ • 5Water) + Water = (C2H5O+ • 6Water)

By formula: (C2H5O+ • 5H2O) + H2O = (C2H5O+ • 6H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr39.kJ/molPHPMSMeot-Ner (Mautner), 1984gas phase
Quantity Value Units Method Reference Comment
Δr90.8J/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase

(C2H5O+ • 6Water) + Water = (C2H5O+ • 7Water)

By formula: (C2H5O+ • 6H2O) + H2O = (C2H5O+ • 7H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr41.kJ/molPHPMSMeot-Ner (Mautner), 1984gas phase
Quantity Value Units Method Reference Comment
Δr108.J/mol*KPHPMSMeot-Ner (Mautner), 1984gas 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.

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]

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]

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]


Notes

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