1-Propanamine, 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

C3H10N+ + Propylamine = (C3H10N+ • Propylamine)

By formula: C3H10N+ + C3H9N = (C3H10N+ • C3H9N)

Quantity Value Units Method Reference Comment
Δr24.5kcal/molPHPMSMeot-Ner (Mautner), 1992gas phase
Quantity Value Units Method Reference Comment
Δr27.6cal/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase

(C3H10N+ • Propylamine) + Propylamine = (C3H10N+ • 2Propylamine)

By formula: (C3H10N+ • C3H9N) + C3H9N = (C3H10N+ • 2C3H9N)

Quantity Value Units Method Reference Comment
Δr16.0kcal/molPHPMSMeot-Ner (Mautner), 1992gas phase
Δr19.5kcal/molHPMSZielinska and Wincel, 1974gas phase; Entropy change is questionable
Quantity Value Units Method Reference Comment
Δr26.3cal/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase
Δr41.6cal/mol*KHPMSZielinska and Wincel, 1974gas phase; Entropy change is questionable

(C3H10N+ • 2Propylamine) + Propylamine = (C3H10N+ • 3Propylamine)

By formula: (C3H10N+ • 2C3H9N) + C3H9N = (C3H10N+ • 3C3H9N)

Quantity Value Units Method Reference Comment
Δr14.0kcal/molPHPMSMeot-Ner (Mautner), 1992gas phase
Δr17.1kcal/molHPMSZielinska and Wincel, 1974gas phase; Entropy change is questionable
Quantity Value Units Method Reference Comment
Δr30.1cal/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase
Δr42.3cal/mol*KHPMSZielinska and Wincel, 1974gas phase; Entropy change is questionable

(C3H10N+ • 3Propylamine) + Propylamine = (C3H10N+ • 4Propylamine)

By formula: (C3H10N+ • 3C3H9N) + C3H9N = (C3H10N+ • 4C3H9N)

Quantity Value Units Method Reference Comment
Δr7.7kcal/molPHPMSMeot-Ner (Mautner), 1992gas phase
Quantity Value Units Method Reference Comment
Δr20.1cal/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase

(C3H10N+ • 4Propylamine) + Propylamine = (C3H10N+ • 5Propylamine)

By formula: (C3H10N+ • 4C3H9N) + C3H9N = (C3H10N+ • 5C3H9N)

Quantity Value Units Method Reference Comment
Δr7.kcal/molPHPMSMeot-Ner (Mautner), 1992gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Δr22.cal/mol*KN/AMeot-Ner (Mautner), 1992gas phase; Entropy change calculated or estimated

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
3.4174.PHPMSMeot-Ner (Mautner), 1992gas phase; Entropy change calculated or estimated

C3H10N+ + Water = (C3H10N+ • Water)

By formula: C3H10N+ + H2O = (C3H10N+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr15.6kcal/molES/HPMSBlades, Klassen, et al., 1996gas phase
Δr15.1kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase
Quantity Value Units Method Reference Comment
Δr22.8cal/mol*KES/HPMSBlades, Klassen, et al., 1996gas phase
Δr21.5cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase
Quantity Value Units Method Reference Comment
Δr8.8kcal/molES/HPMSBlades, Klassen, et al., 1996gas phase

(C3H10N+ • Water) + Water = (C3H10N+ • 2Water)

By formula: (C3H10N+ • H2O) + H2O = (C3H10N+ • 2H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr11.6kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase
Quantity Value Units Method Reference Comment
Δr21.3cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
6.4293.ES/HPMSBlades, Klassen, et al., 1995gas phase

(C3H10N+ • 2Water) + Water = (C3H10N+ • 3Water)

By formula: (C3H10N+ • 2H2O) + H2O = (C3H10N+ • 3H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr10.3kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase
Quantity Value Units Method Reference Comment
Δr23.1cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
4.6293.ES/HPMSBlades, Klassen, et al., 1995gas phase

(C3H10N+ • 3Water) + Water = (C3H10N+ • 4Water)

By formula: (C3H10N+ • 3H2O) + H2O = (C3H10N+ • 4H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr9.9kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase
Quantity Value Units Method Reference Comment
Δr24.9cal/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.

Meot-Ner (Mautner), 1992
Meot-Ner (Mautner), M., Intermolecular Forces in Organic Clusters, J. Am. Chem. Soc., 1992, 114, 9, 3312, https://doi.org/10.1021/ja00035a024 . [all data]

Zielinska and Wincel, 1974
Zielinska, T.J.; Wincel, H., Gas - Phase Solvation of Protonated Aliphatic Amines: Methyl, Ethyl, n - Propyl, and Iso - Propylamine, Chem. Phys. Lett., 1974, 25, 354. [all data]

Blades, Klassen, et al., 1996
Blades, A.T.; Klassen, J.S.; Kebarle, P., Determination of Ion-Solvent Equilibria in the Gas Phase. Hydration of Diprotonated Diamines and Bis(trimethylammonium) Alkanes, J. Am. Chem. Soc., 1996, 118, 49, 12437, https://doi.org/10.1021/ja962641t . [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]

Blades, Klassen, et al., 1995
Blades, A.T.; Klassen, J.S.; Kebarle, P., Free Energies of Hydration in the Gas Phase on the Anions of Some Oxo Acids of C, N, S, P, Cl and I, J. Am. Chem. Soc., 1995, 117, 42, 10563, https://doi.org/10.1021/ja00147a019 . [all data]


Notes

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