iPrCO2 anion


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
Δr1448. ± 8.8kJ/molG+TSCaldwell, Renneboog, et al., 1989gas phase
Quantity Value Units Method Reference Comment
Δr1418. ± 8.4kJ/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

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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
Δr125. ± 4.2kJ/molN/AMeot-Ner and Sieck, 1986gas phase; B,M
Quantity Value Units Method Reference Comment
Δr140.J/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; M
Quantity Value Units Method Reference Comment
Δr83.3 ± 6.7kJ/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
Δr65.7 ± 4.2kJ/molN/AMeot-Ner and Sieck, 1986gas phase; B,M
Quantity Value Units Method Reference Comment
Δr96.J/mol*KN/AMeot-Ner and Sieck, 1986gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr37. ± 6.7kJ/molIMREMeot-Ner and Sieck, 1986gas phase; B

Free energy of reaction

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

References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

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]

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]


Notes

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