MeCHClCH2CO2 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 by: John E. Bartmess

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Individual Reactions

C4H6ClO2- + Hydrogen cation = Butanoic acid, 3-chloro-

By formula: C4H6ClO2- + H+ = C4H7ClO2

Quantity Value Units Method Reference Comment
Δr341.8 ± 2.7kcal/molG+TSCaldwell, Renneboog, et al., 1989gas phase
Δr341.9 ± 3.8kcal/molG+TSCumming and Kebarle, 1978gas phase
Quantity Value Units Method Reference Comment
Δr334.8 ± 2.0kcal/molIMRECaldwell, Renneboog, et al., 1989gas phase
Δr334.9 ± 2.0kcal/molIMRECumming and Kebarle, 1978gas phase

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
3.68 ± 0.17D-EACaldwell, Renneboog, et al., 1989 

Protonation reactions

C4H6ClO2- + Hydrogen cation = Butanoic acid, 3-chloro-

By formula: C4H6ClO2- + H+ = C4H7ClO2

Quantity Value Units Method Reference Comment
Δr341.8 ± 2.7kcal/molG+TSCaldwell, Renneboog, et al., 1989gas phase
Δr341.9 ± 3.8kcal/molG+TSCumming and Kebarle, 1978gas phase
Quantity Value Units Method Reference Comment
Δr334.8 ± 2.0kcal/molIMRECaldwell, Renneboog, et al., 1989gas phase
Δr334.9 ± 2.0kcal/molIMRECumming and Kebarle, 1978gas phase

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]

Cumming and Kebarle, 1978
Cumming, J.B.; Kebarle, P., Summary of gas phase measurements involving acids AH. Entropy changes in proton transfer reactions involving negative ions. Bond dissociation energies D(A-H) and electron affinities EA(A), Can. J. Chem., 1978, 56, 1. [all data]


Notes

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