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1-Propanol

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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 as indicated in comments:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
B - John E. Bartmess
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
RCD - Robert C. Dunbar

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

C3H9O+ + 1-Propanol = (C3H9O+ bullet 1-Propanol)

By formula: C3H9O+ + C3H8O = (C3H9O+ bullet C3H8O)

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

Quantity Value Units Method Reference Comment
Deltar127.kJ/molPHPMSMeot-Ner (Mautner), 1992gas phase; switching reaction(CH3CNH+)CH3CN; Lias, Liebman, et al., 1984, Deakyne, Meot-Ner (Mautner), et al., 1986; M
Deltar132.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; M
Quantity Value Units Method Reference Comment
Deltar112.J/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; switching reaction(CH3CNH+)CH3CN; Lias, Liebman, et al., 1984, Deakyne, Meot-Ner (Mautner), et al., 1986; M
Deltar126.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; M
Quantity Value Units Method Reference Comment
Deltar94.6kJ/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; M

C2H7O+ + 1-Propanol = (C2H7O+ bullet 1-Propanol)

By formula: C2H7O+ + C3H8O = (C2H7O+ bullet C3H8O)

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

Quantity Value Units Method Reference Comment
Deltar127.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; M
Quantity Value Units Method Reference Comment
Deltar119.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; M
Quantity Value Units Method Reference Comment
Deltar91.2kJ/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; M

C4H11O+ + 1-Propanol = (C4H11O+ bullet 1-Propanol)

By formula: C4H11O+ + C3H8O = (C4H11O+ bullet C3H8O)

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

Quantity Value Units Method Reference Comment
Deltar133.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; M
Quantity Value Units Method Reference Comment
Deltar122.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; M
Quantity Value Units Method Reference Comment
Deltar96.2kJ/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; M

C3H7O- + Hydrogen cation = 1-Propanol

By formula: C3H7O- + H+ = C3H8O

Quantity Value Units Method Reference Comment
Deltar1572. ± 5.4kJ/molD-EAEllison, Engleking, et al., 1982gas phase; B
Deltar1573. ± 8.8kJ/molG+TSBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Deltar1574. ± 8.4kJ/molCIDCHaas and Harrison, 1993gas phase; Both metastable and 50 eV collision energy.; B
Quantity Value Units Method Reference Comment
Deltar1545. ± 5.9kJ/molH-TSEllison, Engleking, et al., 1982gas phase; B
Deltar1546. ± 8.4kJ/molIMREBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Deltar1546. ± 8.8kJ/molH-TSHaas and Harrison, 1993gas phase; Both metastable and 50 eV collision energy.; B

C4H9O- + 1-Propanol = (C4H9O- bullet 1-Propanol)

By formula: C4H9O- + C3H8O = (C4H9O- bullet C3H8O)

Quantity Value Units Method Reference Comment
Deltar114. ± 12.kJ/molN/ACaldwell, Rozeboom, et al., 1984gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B,M
Quantity Value Units Method Reference Comment
Deltar123.J/mol*KN/ACaldwell, Rozeboom, et al., 1984gas phase; switching reaction(CH3O-)CH3OH, Entropy change calculated or estimated; re-evaluated using Meot-Ner(Mautner), 1986 and Paul and Kebarle, 1990; M
Quantity Value Units Method Reference Comment
Deltar77.8 ± 8.4kJ/molIMRECaldwell, Rozeboom, et al., 1984gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B,M

C8H5- + 1-Propanol = (C8H5- bullet 1-Propanol)

By formula: C8H5- + C3H8O = (C8H5- bullet C3H8O)

Quantity Value Units Method Reference Comment
Deltar94. ± 12.kJ/molN/ACaldwell, Rozeboom, et al., 1984gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B,M
Quantity Value Units Method Reference Comment
Deltar123.J/mol*KN/ACaldwell, Rozeboom, et al., 1984gas phase; switching reaction(CH3O-)CH3OH, Entropy change calculated or estimated; re-evaluated using Meot-Ner(Mautner), 1986 and Paul and Kebarle, 1990; M
Quantity Value Units Method Reference Comment
Deltar57.7 ± 8.4kJ/molIMRECaldwell, Rozeboom, et al., 1984gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B,M

C3H7O- + 1-Propanol = (C3H7O- bullet 1-Propanol)

By formula: C3H7O- + C3H8O = (C3H7O- bullet C3H8O)

Quantity Value Units Method Reference Comment
Deltar119. ± 12.kJ/molN/ACaldwell, Rozeboom, et al., 1984gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B,M
Quantity Value Units Method Reference Comment
Deltar123.J/mol*KN/ACaldwell, Rozeboom, et al., 1984gas phase; switching reaction(CH3O-)CH3OH, Entropy change calculated or estimated; re-evaluated using Meot-Ner(Mautner), 1986 and Paul and Kebarle, 1990; M
Quantity Value Units Method Reference Comment
Deltar81.2 ± 8.4kJ/molIMRECaldwell, Rozeboom, et al., 1984gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B,M

Chlorine anion + 1-Propanol = (Chlorine anion bullet 1-Propanol)

By formula: Cl- + C3H8O = (Cl- bullet C3H8O)

Quantity Value Units Method Reference Comment
Deltar85.4 ± 2.1kJ/molTDAsHiraoka, 1987gas phase; B,B,M
Deltar74.1 ± 8.4kJ/molIMRELarson and McMahon, 1984gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar121.J/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Deltar97.1J/mol*KN/ALarson and McMahon, 1984gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; Larson and McMahon, 1984, 2; M
Quantity Value Units Method Reference Comment
Deltar48.95kJ/molTDAsHiraoka and Mizuse, 1987gas phase; B
Deltar49.0 ± 8.4kJ/molTDAsHiraoka, 1987gas phase; B
Deltar45.2 ± 8.4kJ/molIMRELarson and McMahon, 1984gas phase; B,M

C3H5O+ + 1-Propanol = (C3H5O+ bullet 1-Propanol)

By formula: C3H5O+ + C3H8O = (C3H5O+ bullet C3H8O)

Quantity Value Units Method Reference Comment
Deltar90.8kJ/molICRCaldwell, Rozeboom, et al., 1984gas phase; switching reaction(CH3O-)CH3OH, Entropy change calculated or estimated; re-evaluated using Meot-Ner(Mautner), 1986 and Paul and Kebarle, 1990; M
Quantity Value Units Method Reference Comment
Deltar123.J/mol*KN/ACaldwell, Rozeboom, et al., 1984gas phase; switching reaction(CH3O-)CH3OH, Entropy change calculated or estimated; re-evaluated using Meot-Ner(Mautner), 1986 and Paul and Kebarle, 1990; M
Quantity Value Units Method Reference Comment
Deltar54.4kJ/molICRCaldwell, Rozeboom, et al., 1984gas phase; switching reaction(CH3O-)CH3OH, Entropy change calculated or estimated; re-evaluated using Meot-Ner(Mautner), 1986 and Paul and Kebarle, 1990; M

C3H9Si+ + 1-Propanol = (C3H9Si+ bullet 1-Propanol)

By formula: C3H9Si+ + C3H8O = (C3H9Si+ bullet C3H8O)

Quantity Value Units Method Reference Comment
Deltar181.kJ/molPHPMSWojtyniak and Stone, 1986gas phase; switching reaction,Thermochemical ladder((CH3)3Si+))H2O, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar129.J/mol*KN/AWojtyniak and Stone, 1986gas phase; switching reaction,Thermochemical ladder((CH3)3Si+))H2O, Entropy change calculated or estimated; M

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
121.468.PHPMSWojtyniak and Stone, 1986gas phase; switching reaction,Thermochemical ladder((CH3)3Si+))H2O, Entropy change calculated or estimated; M

C3H9Sn+ + 1-Propanol = (C3H9Sn+ bullet 1-Propanol)

By formula: C3H9Sn+ + C3H8O = (C3H9Sn+ bullet C3H8O)

Quantity Value Units Method Reference Comment
Deltar149.kJ/molPHPMSStone and Splinter, 1984gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar130.J/mol*KN/AStone and Splinter, 1984gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
78.2525.PHPMSStone and Splinter, 1984gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M

C5H11O- + 1-Propanol = (C5H11O- bullet 1-Propanol)

By formula: C5H11O- + C3H8O = (C5H11O- bullet C3H8O)

Quantity Value Units Method Reference Comment
Deltar113. ± 12.kJ/molN/ACaldwell, Rozeboom, et al., 1984gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B
Quantity Value Units Method Reference Comment
Deltar76.1 ± 8.4kJ/molIMRECaldwell, Rozeboom, et al., 1984gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B

C3H5O- + 1-Propanol = (C3H5O- bullet 1-Propanol)

By formula: C3H5O- + C3H8O = (C3H5O- bullet C3H8O)

Quantity Value Units Method Reference Comment
Deltar90. ± 12.kJ/molN/ACaldwell, Rozeboom, et al., 1984gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B
Quantity Value Units Method Reference Comment
Deltar54.0 ± 8.4kJ/molIMRECaldwell, Rozeboom, et al., 1984gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B

(C3H9O+ bullet 71-Propanol) + 1-Propanol = (C3H9O+ bullet 81-Propanol)

By formula: (C3H9O+ bullet 7C3H8O) + C3H8O = (C3H9O+ bullet 8C3H8O)

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

Quantity Value Units Method Reference Comment
Deltar46.kJ/molPHPMSMeot-Ner (Mautner), 1992gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar130.J/mol*KN/AMeot-Ner (Mautner), 1992gas phase; Entropy change calculated or estimated; M

Free energy of reaction

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

(Chlorine anion bullet 71-Propanol) + 1-Propanol = (Chlorine anion bullet 81-Propanol)

By formula: (Cl- bullet 7C3H8O) + C3H8O = (Cl- bullet 8C3H8O)

Quantity Value Units Method Reference Comment
Deltar45.2 ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; Estimated entropy; single temperature measurement; B,M
Quantity Value Units Method Reference Comment
Deltar130.J/mol*KN/AHiraoka and Mizuse, 1987gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar7.5 ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; Estimated entropy; single temperature measurement; B

Fluorine anion + 1-Propanol = (Fluorine anion bullet 1-Propanol)

By formula: F- + C3H8O = (F- bullet C3H8O)

Quantity Value Units Method Reference Comment
Deltar135. ± 8.4kJ/molIMRELarson and McMahon, 1983gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar106.J/mol*KN/ALarson and McMahon, 1983gas phase; switching reaction(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M
Quantity Value Units Method Reference Comment
Deltar103. ± 8.4kJ/molIMRELarson and McMahon, 1983gas phase; B,M

(C3H9O+ bullet 21-Propanol) + 1-Propanol = (C3H9O+ bullet 31-Propanol)

By formula: (C3H9O+ bullet 2C3H8O) + C3H8O = (C3H9O+ bullet 3C3H8O)

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

Quantity Value Units Method Reference Comment
Deltar60.2kJ/molPHPMSMeot-Ner (Mautner), 1992gas phase; M
Deltar59.4kJ/molPHPMSHiraoka, Morise, et al., 1986gas phase; M
Quantity Value Units Method Reference Comment
Deltar107.J/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; M
Deltar99.6J/mol*KPHPMSHiraoka, Morise, et al., 1986gas phase; M

(C3H9O+ bullet 31-Propanol) + 1-Propanol = (C3H9O+ bullet 41-Propanol)

By formula: (C3H9O+ bullet 3C3H8O) + C3H8O = (C3H9O+ bullet 4C3H8O)

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

Quantity Value Units Method Reference Comment
Deltar49.8kJ/molPHPMSMeot-Ner (Mautner), 1992gas phase; M
Deltar49.0kJ/molPHPMSHiraoka, Morise, et al., 1986gas phase; M
Quantity Value Units Method Reference Comment
Deltar104.J/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; M
Deltar96.2J/mol*KPHPMSHiraoka, Morise, et al., 1986gas phase; M

(C3H9O+ bullet 1-Propanol) + 1-Propanol = (C3H9O+ bullet 21-Propanol)

By formula: (C3H9O+ bullet C3H8O) + C3H8O = (C3H9O+ bullet 2C3H8O)

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

Quantity Value Units Method Reference Comment
Deltar90.4kJ/molPHPMSMeot-Ner (Mautner), 1992gas phase; M
Deltar79.1kJ/molPHPMSHiraoka, Morise, et al., 1986gas phase; M
Quantity Value Units Method Reference Comment
Deltar131.J/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; M
Deltar96.2J/mol*KPHPMSHiraoka, Morise, et al., 1986gas phase; M

Propanal + Hydrogen = 1-Propanol

By formula: C3H6O + H2 = C3H8O

Quantity Value Units Method Reference Comment
Deltar-84.3 ± 0.4kJ/molCmWiberg, Crocker, et al., 1991liquid phase; solvent: Triglyme; Heat of hydrogenation; ALS
Deltar-69.55 ± 0.76kJ/molEqkConnett, 1972gas phase; At 473-524 K; ALS
Deltar-65.77 ± 0.67kJ/molChydBuckley and Cox, 1967gas phase; ALS

(Chlorine anion bullet 21-Propanol) + 1-Propanol = (Chlorine anion bullet 31-Propanol)

By formula: (Cl- bullet 2C3H8O) + C3H8O = (Cl- bullet 3C3H8O)

Quantity Value Units Method Reference Comment
Deltar59.4 ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar131.J/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
Deltar20. ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; B

(Chlorine anion bullet 31-Propanol) + 1-Propanol = (Chlorine anion bullet 41-Propanol)

By formula: (Cl- bullet 3C3H8O) + C3H8O = (Cl- bullet 4C3H8O)

Quantity Value Units Method Reference Comment
Deltar55.6 ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar134.J/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
Deltar15. ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; B

(Chlorine anion bullet 41-Propanol) + 1-Propanol = (Chlorine anion bullet 51-Propanol)

By formula: (Cl- bullet 4C3H8O) + C3H8O = (Cl- bullet 5C3H8O)

Quantity Value Units Method Reference Comment
Deltar52.7 ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar138.J/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
Deltar11. ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; B

(Chlorine anion bullet 51-Propanol) + 1-Propanol = (Chlorine anion bullet 61-Propanol)

By formula: (Cl- bullet 5C3H8O) + C3H8O = (Cl- bullet 6C3H8O)

Quantity Value Units Method Reference Comment
Deltar48.5 ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar130.J/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
Deltar9.6 ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; B

(Chlorine anion bullet 61-Propanol) + 1-Propanol = (Chlorine anion bullet 71-Propanol)

By formula: (Cl- bullet 6C3H8O) + C3H8O = (Cl- bullet 7C3H8O)

Quantity Value Units Method Reference Comment
Deltar46.0 ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar126.J/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
Deltar7.9 ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; B

(Chlorine anion bullet 1-Propanol) + 1-Propanol = (Chlorine anion bullet 21-Propanol)

By formula: (Cl- bullet C3H8O) + C3H8O = (Cl- bullet 2C3H8O)

Quantity Value Units Method Reference Comment
Deltar66.1 ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar106.J/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
Deltar34. ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; B

(C3H9O+ bullet 41-Propanol) + 1-Propanol = (C3H9O+ bullet 51-Propanol)

By formula: (C3H9O+ bullet 4C3H8O) + C3H8O = (C3H9O+ bullet 5C3H8O)

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

Quantity Value Units Method Reference Comment
Deltar45.6kJ/molPHPMSMeot-Ner (Mautner), 1992gas phase; M
Quantity Value Units Method Reference Comment
Deltar106.J/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; M

(C3H9O+ bullet 51-Propanol) + 1-Propanol = (C3H9O+ bullet 61-Propanol)

By formula: (C3H9O+ bullet 5C3H8O) + C3H8O = (C3H9O+ bullet 6C3H8O)

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

Quantity Value Units Method Reference Comment
Deltar46.4kJ/molPHPMSMeot-Ner (Mautner), 1992gas phase; M
Quantity Value Units Method Reference Comment
Deltar120.J/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; M

(C3H9O+ bullet 61-Propanol) + 1-Propanol = (C3H9O+ bullet 71-Propanol)

By formula: (C3H9O+ bullet 6C3H8O) + C3H8O = (C3H9O+ bullet 7C3H8O)

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

Quantity Value Units Method Reference Comment
Deltar45.6kJ/molPHPMSMeot-Ner (Mautner), 1992gas phase; M
Quantity Value Units Method Reference Comment
Deltar128.J/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; M

CH6N+ + 1-Propanol = (CH6N+ bullet 1-Propanol)

By formula: CH6N+ + C3H8O = (CH6N+ bullet C3H8O)

Bond type: Hydrogen bonds of the type NH+-O between organics

Quantity Value Units Method Reference Comment
Deltar92.0kJ/molPHPMSMeot-Ner, 1984gas phase; M
Quantity Value Units Method Reference Comment
Deltar107.J/mol*KPHPMSMeot-Ner, 1984gas phase; M

Sodium ion (1+) + 1-Propanol = (Sodium ion (1+) bullet 1-Propanol)

By formula: Na+ + C3H8O = (Na+ bullet C3H8O)

Quantity Value Units Method Reference Comment
Deltar108. ± 4.2kJ/molCIDTArmentrout and Rodgers, 2000RCD
Deltar108. ± 4.2kJ/molCIDTRodgers and Armentrout, 1999RCD

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
0.00.CIDTRodgers and Armentrout, 1999RCD

2-Propen-1-ol + Hydrogen = 1-Propanol

By formula: C3H6O + H2 = C3H8O

Quantity Value Units Method Reference Comment
Deltar-130.6 ± 1.8kJ/molChydDolliver, Gresham, et al., 1938gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -132. ± 1. kJ/mol; At 355°K; ALS

thiophenoxide anion + 1-Propanol = (thiophenoxide anion bullet 1-Propanol)

By formula: C6H5S- + C3H8O = (C6H5S- bullet C3H8O)

Quantity Value Units Method Reference Comment
Deltar62.8kJ/molPHPMSSieck and Meot-ner, 1989gas phase; M
Quantity Value Units Method Reference Comment
Deltar109.J/mol*KPHPMSSieck and Meot-ner, 1989gas phase; M

Fluorine anion + 1-Propanol = C3H7D8FO-

By formula: F- + C3H8O = C3H7D8FO-

Quantity Value Units Method Reference Comment
Deltar102. ± 8.4kJ/molIMREWilkinson, Szulejko, et al., 1992gas phase; Reported relative to ROH..F-, 0.5 kcal/mol weaker.; B

Magnesium ion (1+) + 1-Propanol = (Magnesium ion (1+) bullet 1-Propanol)

By formula: Mg+ + C3H8O = (Mg+ bullet C3H8O)

Quantity Value Units Method Reference Comment
Deltar270. ± 20.kJ/molICROperti, Tews, et al., 1988gas phase; switching reaction,Thermochemical ladder(Mg+)CH3OH; M

Propyl gallate + Water = Benzoic acid, 3,4,5-trihydroxy- + 1-Propanol

By formula: C10H12O5 + H2O = C7H6O5 + C3H8O

Quantity Value Units Method Reference Comment
Deltar-15.4 ± 6.6kJ/molEqkTewari, Schantz, et al., 1996liquid phase; solvent: Toluene; ALS

1-Propanol + Ethene, 1,1-dichloro-2,2-difluoro- = C5H8Cl2F2O

By formula: C3H8O + C2Cl2F2 = C5H8Cl2F2O

Quantity Value Units Method Reference Comment
Deltar-164. ± 2.kJ/molCmKennedy, Lacher, et al., 1969gas phase; ALS

1-Propanol + Nitric acid = Nitric acid, propyl ester + Water

By formula: C3H8O + HNO3 = C3H7NO3 + H2O

Quantity Value Units Method Reference Comment
Deltar-21.8kJ/molEqkRubtsov, 1986liquid phase; ALS

Ketene + 1-Propanol = n-Propyl acetate

By formula: C2H2O + C3H8O = C5H10O2

Quantity Value Units Method Reference Comment
Deltar-147.8kJ/molCmRice and Greenberg, 1934gas phase; ALS

Lithium ion (1+) + 1-Propanol = (Lithium ion (1+) bullet 1-Propanol)

By formula: Li+ + C3H8O = (Li+ bullet C3H8O)

Quantity Value Units Method Reference Comment
Deltar171. ± 7.9kJ/molCIDTRodgers and Armentrout, 2000RCD

Maleic anhydride + 1-Propanol = propyl hydrogen maleate

By formula: C4H2O3 + C3H8O = propyl hydrogen maleate

Quantity Value Units Method Reference Comment
Deltar-35.kJ/molKinTribunescu, Poraicu, et al., 1978liquid phase; ALS

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.

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Notes

Go To: Top, Reaction thermochemistry data, References