EtCHClCO2 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, 2-chloro-

By formula: C4H6ClO2- + H+ = C4H7ClO2

Quantity Value Units Method Reference Comment
Δr1410. ± 8.8kJ/molG+TSCaldwell, Renneboog, et al., 1989gas phase; dHf(AH) from GpAd in Stein, Rikkers, et al. is seriously in error
Δr1412. ± 9.6kJ/molG+TSCumming and Kebarle, 1978gas phase
Quantity Value Units Method Reference Comment
Δr1383. ± 8.4kJ/molIMRECaldwell, Renneboog, et al., 1989gas phase; dHf(AH) from GpAd in Stein, Rikkers, et al. is seriously in error
Δr1384. ± 8.4kJ/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
3.88 ± 0.16D-EACaldwell, Renneboog, et al., 1989dHf(AH) from GpAd in Stein, Rikkers, et al. is seriously in error

Protonation reactions

C4H6ClO2- + Hydrogen cation = Butanoic acid, 2-chloro-

By formula: C4H6ClO2- + H+ = C4H7ClO2

Quantity Value Units Method Reference Comment
Δr1410. ± 8.8kJ/molG+TSCaldwell, Renneboog, et al., 1989gas phase; dHf(AH) from GpAd in Stein, Rikkers, et al. is seriously in error
Δr1412. ± 9.6kJ/molG+TSCumming and Kebarle, 1978gas phase
Quantity Value Units Method Reference Comment
Δr1383. ± 8.4kJ/molIMRECaldwell, Renneboog, et al., 1989gas phase; dHf(AH) from GpAd in Stein, Rikkers, et al. is seriously in error
Δr1384. ± 8.4kJ/molIMRECumming and Kebarle, 1978gas phase

References

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Notes

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]

Stein, Rikkers, et al.
Stein, S.E.; Rikkers, J.M.; Brown, R.L., NIST Structure anmd Properties Database and Estimation Program, Ver. 1.1, NIST Standard Reference Database 25. [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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