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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

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Individual Reactions

iPrCO2 anion + Water = (iPrCO2 anion bullet Water)

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar15.7 ± 1.0kcal/molN/AMeot-Ner and Sieck, 1986gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar23.cal/mol*KN/AMeot-Ner and Sieck, 1986gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar8.8 ± 1.6kcal/molIMREMeot-Ner and Sieck, 1986gas phase; B

Free energy of reaction

DeltarG° (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 bullet Propanoic acid, 2-methyl-)

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

Quantity Value Units Method Reference Comment
Deltar29.9 ± 1.0kcal/molN/AMeot-Ner and Sieck, 1986gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar33.4cal/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; M
Quantity Value Units Method Reference Comment
Deltar19.9 ± 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
Deltar346.0 ± 2.1kcal/molG+TSCaldwell, Renneboog, et al., 1989gas phase; B
Quantity Value Units Method Reference Comment
Deltar339.0 ± 2.0kcal/molIMRECaldwell, Renneboog, et al., 1989gas phase; B

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.

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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