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1-Pentanol, protonated


Reaction thermochemistry data

Go To: Top, Ion clustering data, References, Notes

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

(C5H13O+ bullet 41-Pentanol) + 1-Pentanol = (C5H13O+ bullet 51-Pentanol)

By formula: (C5H13O+ bullet 4C5H12O) + C5H12O = (C5H13O+ bullet 5C5H12O)

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

Quantity Value Units Method Reference Comment
Deltar11.kcal/molPHPMSMeot-Ner (Mautner), 1992gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Deltar25.cal/mol*KN/AMeot-Ner (Mautner), 1992gas phase; Entropy change calculated or estimated

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
5.1227.PHPMSMeot-Ner (Mautner), 1992gas phase; Entropy change calculated or estimated

(C5H13O+ bullet 1-Pentanol) + 1-Pentanol = (C5H13O+ bullet 21-Pentanol)

By formula: (C5H13O+ bullet C5H12O) + C5H12O = (C5H13O+ bullet 2C5H12O)

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

Quantity Value Units Method Reference Comment
Deltar22.kcal/molPHPMSMeot-Ner (Mautner), 1992gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Deltar32.cal/mol*KN/AMeot-Ner (Mautner), 1992gas phase; Entropy change calculated or estimated

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
10.5346.PHPMSMeot-Ner (Mautner), 1992gas phase; Entropy change calculated or estimated

(C5H13O+ bullet 21-Pentanol) + 1-Pentanol = (C5H13O+ bullet 31-Pentanol)

By formula: (C5H13O+ bullet 2C5H12O) + C5H12O = (C5H13O+ bullet 3C5H12O)

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

Quantity Value Units Method Reference Comment
Deltar14.0kcal/molPHPMSMeot-Ner (Mautner), 1992gas phase
Quantity Value Units Method Reference Comment
Deltar24.3cal/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase

(C5H13O+ bullet 31-Pentanol) + 1-Pentanol = (C5H13O+ bullet 41-Pentanol)

By formula: (C5H13O+ bullet 3C5H12O) + C5H12O = (C5H13O+ bullet 4C5H12O)

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

Quantity Value Units Method Reference Comment
Deltar11.9kcal/molPHPMSMeot-Ner (Mautner), 1992gas phase
Quantity Value Units Method Reference Comment
Deltar24.4cal/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase

Ion clustering data

Go To: Top, Reaction thermochemistry data, References, Notes

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

(C5H13O+ bullet 1-Pentanol) + 1-Pentanol = (C5H13O+ bullet 21-Pentanol)

By formula: (C5H13O+ bullet C5H12O) + C5H12O = (C5H13O+ bullet 2C5H12O)

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

Quantity Value Units Method Reference Comment
Deltar22.kcal/molPHPMSMeot-Ner (Mautner), 1992gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Deltar32.cal/mol*KN/AMeot-Ner (Mautner), 1992gas phase; Entropy change calculated or estimated

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
10.5346.PHPMSMeot-Ner (Mautner), 1992gas phase; Entropy change calculated or estimated

(C5H13O+ bullet 21-Pentanol) + 1-Pentanol = (C5H13O+ bullet 31-Pentanol)

By formula: (C5H13O+ bullet 2C5H12O) + C5H12O = (C5H13O+ bullet 3C5H12O)

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

Quantity Value Units Method Reference Comment
Deltar14.0kcal/molPHPMSMeot-Ner (Mautner), 1992gas phase
Quantity Value Units Method Reference Comment
Deltar24.3cal/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase

(C5H13O+ bullet 31-Pentanol) + 1-Pentanol = (C5H13O+ bullet 41-Pentanol)

By formula: (C5H13O+ bullet 3C5H12O) + C5H12O = (C5H13O+ bullet 4C5H12O)

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

Quantity Value Units Method Reference Comment
Deltar11.9kcal/molPHPMSMeot-Ner (Mautner), 1992gas phase
Quantity Value Units Method Reference Comment
Deltar24.4cal/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase

(C5H13O+ bullet 41-Pentanol) + 1-Pentanol = (C5H13O+ bullet 51-Pentanol)

By formula: (C5H13O+ bullet 4C5H12O) + C5H12O = (C5H13O+ bullet 5C5H12O)

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

Quantity Value Units Method Reference Comment
Deltar11.kcal/molPHPMSMeot-Ner (Mautner), 1992gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Deltar25.cal/mol*KN/AMeot-Ner (Mautner), 1992gas phase; Entropy change calculated or estimated

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
5.1227.PHPMSMeot-Ner (Mautner), 1992gas phase; Entropy change calculated or estimated

References

Go To: Top, Reaction thermochemistry data, 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]


Notes

Go To: Top, Reaction thermochemistry data, Ion clustering data, References