Butanoic acid, 2-chloro-


Condensed phase 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δcliquid-2022.5 ± 8.4kJ/molCcbSmith, Bjellerup, et al., 1953Reanalyzed by Cox and Pilcher, 1970, Original value = -2021. ± 8. kJ/mol
Δcliquid-2018.kJ/molCcbSchjanberg, 1935 

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

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.

Smith, Bjellerup, et al., 1953
Smith, L.; Bjellerup, L.; Krook, S.; Westermark, H., Heats of combustion of organic chloro compounds determined by the "quartz wool" method, Acta Chem. Scand., 1953, 7, 65. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

Schjanberg, 1935
Schjanberg, E., Die Verbrennungswarmen und die Refraktionsdaten einiger chlorsubstituierter Fettsauren und Ester., Z. Phys. Chem. Abt. A, 1935, 172, 197-233. [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]

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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