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Di-n-propyl ether, protonated


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

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

C6H15O+ + Acetonitrile = (C6H15O+ bullet Acetonitrile)

By formula: C6H15O+ + C2H3N = (C6H15O+ bullet C2H3N)

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
18.7320.ICRBromilow, Abboud, et al., 1980gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973

C6H15O+ + Ethyl ether = (C6H15O+ bullet Ethyl ether)

By formula: C6H15O+ + C4H10O = (C6H15O+ bullet C4H10O)

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

Quantity Value Units Method Reference Comment
Deltar29.3kcal/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
Deltar30.0cal/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
Deltar20.4kcal/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

C6H15O+ + Di-n-propyl ether = (C6H15O+ bullet Di-n-propyl ether)

By formula: C6H15O+ + C6H14O = (C6H15O+ bullet C6H14O)

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

Bond type: Hydrogen bonds between protonated and neutral organics

Quantity Value Units Method Reference Comment
Deltar30.9kcal/molPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; switching reaction(C2H5)COH+((C2H5)2CO
Deltar29.9kcal/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
Deltar40.0cal/mol*KPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; switching reaction(C2H5)COH+((C2H5)2CO
Deltar31.9cal/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
Deltar20.4kcal/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

C6H15O+ + Water = (C6H15O+ bullet Water)

By formula: C6H15O+ + H2O = (C6H15O+ bullet H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar18.8kcal/molPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase
Quantity Value Units Method Reference Comment
Deltar28.4cal/mol*KPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase

(C6H15O+ bullet Water) + Water = (C6H15O+ bullet 2Water)

By formula: (C6H15O+ bullet H2O) + H2O = (C6H15O+ bullet 2H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar13.2kcal/molPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase
Quantity Value Units Method Reference Comment
Deltar25.7cal/mol*KPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase

(C6H15O+ bullet 2Water) + Water = (C6H15O+ bullet 3Water)

By formula: (C6H15O+ bullet 2H2O) + H2O = (C6H15O+ bullet 3H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar12.5kcal/molPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase
Quantity Value Units Method Reference Comment
Deltar27.0cal/mol*KPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase

(C6H15O+ bullet 3Water) + Water = (C6H15O+ bullet 4Water)

By formula: (C6H15O+ bullet 3H2O) + H2O = (C6H15O+ bullet 4H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar10.5kcal/molPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase
Quantity Value Units Method Reference Comment
Deltar23.7cal/mol*KPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase

(C6H15O+ bullet 4Water) + Water = (C6H15O+ bullet 5Water)

By formula: (C6H15O+ bullet 4H2O) + H2O = (C6H15O+ bullet 5H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar10.2kcal/molPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase
Quantity Value Units Method Reference Comment
Deltar25.3cal/mol*KPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase

(C6H15O+ bullet 5Water) + Water = (C6H15O+ bullet 6Water)

By formula: (C6H15O+ bullet 5H2O) + H2O = (C6H15O+ bullet 6H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar9.4kcal/molPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Deltar25.0cal/mol*KN/AMeot-Ner (Mautner), Sieck, et al., 1994gas phase; Entropy change calculated or estimated

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
3.5234.PHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; Entropy change calculated or estimated

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.

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]

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]

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), Sieck, et al., 1994
Meot-Ner (Mautner), M.; Sieck, L.W.; Liebman, J.F.; Scheiner, S.; Duan, X., The Ionic Hydrogen Bond. 5. Polydentate and Solvent-Bridged Structures. Complexing of the Proton and the Hydronium Ions by Polyethers, J. Am. Chem. Soc., 1994, 116, 17, 7848, https://doi.org/10.1021/ja00096a047 . [all data]


Notes

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