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Acetophenone, 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

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

(C8H9O bullet 2Water) + Water = (C8H9O bullet 3Water)

By formula: (C8H9O bullet 2H2O) + H2O = (C8H9O bullet 3H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar50.6kJ/molPHPMSMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Deltar91.6J/mol*KN/AMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
16.375.PHPMSMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated

(C8H9O bullet 3Water) + Water = (C8H9O bullet 4Water)

By formula: (C8H9O bullet 3H2O) + H2O = (C8H9O bullet 4H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar38.kJ/molPHPMSMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Deltar78.2J/mol*KN/AMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
16.284.PHPMSMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated

C8H9O + Acetophenone = (C8H9O bullet Acetophenone)

By formula: C8H9O + C8H8O = (C8H9O bullet C8H8O)

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

Quantity Value Units Method Reference Comment
Deltar112.kJ/molPHPMSMeot-Ner (Mautner) and Sieck, 1991gas phase
Quantity Value Units Method Reference Comment
Deltar114.J/mol*KPHPMSMeot-Ner (Mautner) and Sieck, 1991gas phase

(C8H9O bullet Water) + Water = (C8H9O bullet 2Water)

By formula: (C8H9O bullet H2O) + H2O = (C8H9O bullet 2H2O)

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
Deltar88.3J/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase

C8H9O + Water = (C8H9O bullet Water)

By formula: C8H9O + H2O = (C8H9O bullet H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar81.6kJ/molPHPMSMeot-Ner (Mautner), 1984gas phase
Quantity Value Units Method Reference Comment
Deltar122.J/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase

C8H9O + Acetonitrile = (C8H9O bullet Acetonitrile)

By formula: C8H9O + C2H3N = (C8H9O bullet C2H3N)

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
68.2320.ICRBromilow, Abboud, et al., 1980gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973

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.

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]

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]

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]

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]


Notes

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