iPrCO2 anion


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:
B - John E. Bartmess
M - 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

iPrCO2 anion + Water = (iPrCO2 anion • Water)

By formula: C4H7O2- + H2O = (C4H7O2- • H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr15.7 ± 1.0kcal/molN/AMeot-Ner and Sieck, 1986gas phase; B,M
Quantity Value Units Method Reference Comment
Δr23.cal/mol*KN/AMeot-Ner and Sieck, 1986gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr8.8 ± 1.6kcal/molIMREMeot-Ner and Sieck, 1986gas phase; B

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
3.9514.PHPMSMeot-Ner and Sieck, 1986gas phase; Entropy change calculated or estimated; M

iPrCO2 anion + Propanoic acid, 2-methyl- = (iPrCO2 anion • Propanoic acid, 2-methyl-)

By formula: C4H7O2- + C4H8O2 = (C4H7O2- • C4H8O2)

Quantity Value Units Method Reference Comment
Δr29.9 ± 1.0kcal/molN/AMeot-Ner and Sieck, 1986gas phase; B,M
Quantity Value Units Method Reference Comment
Δr33.4cal/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; M
Quantity Value Units Method Reference Comment
Δr19.9 ± 1.6kcal/molTDAsMeot-Ner and Sieck, 1986gas phase; B

iPrCO2 anion + Hydrogen cation = Propanoic acid, 2-methyl-

By formula: C4H7O2- + H+ = C4H8O2

Quantity Value Units Method Reference Comment
Δr346.0 ± 2.1kcal/molG+TSCaldwell, Renneboog, et al., 1989gas phase; B
Quantity Value Units Method Reference Comment
Δr339.0 ± 2.0kcal/molIMRECaldwell, Renneboog, et al., 1989gas phase; B

Gas phase ion energetics 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: John E. Bartmess

Electron affinity of neutral species

EAneutral (eV) Method Reference Comment
3.50 ± 0.16D-EACaldwell, Renneboog, et al., 1989 

Protonation reactions

iPrCO2 anion + Hydrogen cation = Propanoic acid, 2-methyl-

By formula: C4H7O2- + H+ = C4H8O2

Quantity Value Units Method Reference Comment
Δr346.0 ± 2.1kcal/molG+TSCaldwell, Renneboog, et al., 1989gas phase
Quantity Value Units Method Reference Comment
Δr339.0 ± 2.0kcal/molIMRECaldwell, Renneboog, et al., 1989gas phase

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 as indicated in comments:
B - John E. Bartmess
M - 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

iPrCO2 anion + Propanoic acid, 2-methyl- = (iPrCO2 anion • Propanoic acid, 2-methyl-)

By formula: C4H7O2- + C4H8O2 = (C4H7O2- • C4H8O2)

Quantity Value Units Method Reference Comment
Δr29.9 ± 1.0kcal/molN/AMeot-Ner and Sieck, 1986gas phase; B,M
Quantity Value Units Method Reference Comment
Δr33.4cal/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; M
Quantity Value Units Method Reference Comment
Δr19.9 ± 1.6kcal/molTDAsMeot-Ner and Sieck, 1986gas phase; B

iPrCO2 anion + Water = (iPrCO2 anion • Water)

By formula: C4H7O2- + H2O = (C4H7O2- • H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr15.7 ± 1.0kcal/molN/AMeot-Ner and Sieck, 1986gas phase; B,M
Quantity Value Units Method Reference Comment
Δr23.cal/mol*KN/AMeot-Ner and Sieck, 1986gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr8.8 ± 1.6kcal/molIMREMeot-Ner and Sieck, 1986gas phase; B

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
3.9514.PHPMSMeot-Ner and Sieck, 1986gas phase; Entropy change calculated or estimated; M

References

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics 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 and Sieck, 1986
Meot-Ner, M.; Sieck, L.W., The ionic hydrogen bond and ion solvation. 5. OH...O- bonds. Gas phase solvation and clustering of alkoxide and carboxylate anions, J. Am. Chem. Soc., 1986, 108, 7525. [all data]

Caldwell, Renneboog, et al., 1989
Caldwell, G.; Renneboog, R.; Kebarle, P., Gas Phase Acidities of Aliphatic Carboxylic Acids, Based on Measurements of Proton Transfer Equilibria, Can. J. Chem., 1989, 67, 4, 661, https://doi.org/10.1139/v89-092 . [all data]


Notes

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