Articles | Volume 20, issue 21
https://doi.org/10.5194/acp-20-13131-2020
https://doi.org/10.5194/acp-20-13131-2020
Technical note
 | 
09 Nov 2020
Technical note |  | 09 Nov 2020

Technical note: Estimating aqueous solubilities and activity coefficients of mono- and α,ω-dicarboxylic acids using COSMOtherm

Noora Hyttinen, Reyhaneh Heshmatnezhad, Jonas Elm, Theo Kurtén, and Nønne L. Prisle

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Cited articles

AIOMFAC-web: version 2.32, available at: http://www.aiomfac.caltech.edu, last access: 11 August 2020. a, b, c
Aloisio, S., Hintze, P. E., and Vaida, V.: The hydration of formic acid, J. Phys. Chem. A, 106, 363–370, https://doi.org/10.1021/jp012190l, 2002. a
Apelblat, A. and Manzurola, E.: Solubility of oxalic, malonic, succinic, adipic, maleic, malic, citric, and tartaric acids in water from 278.15 to 338.15 K, J. Chem. Thermodyn., 19, 317–320, https://doi.org/10.1016/0021-9614(87)90139-X, 1987. a, b
Apelblat, A. and Manzurola, E.: Solubility of ascorbic, 2-furancarboxylic, glutaric, pimelic, salicylic, and o-phthalic acids in water from 279.15 to 342.15 K, and apparent molar volumes of ascorbic, glutaric, and pimelic acids in water at 298.15 K, J. Chem. Thermodyn., 21, 1005–1008, https://doi.org/10.1016/0021-9614(89)90161-4, 1989. a, b
Apelblat, A. and Manzurola, E.: Solubility of suberic, azelaic, levulinic, glycolic, and diglycolic acids in water from 278.25 K to 361.35 K, J. Chem. Thermodyn., 22, 289–292, https://doi.org/10.1016/0021-9614(90)90201-Z, 1990. a, b
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We present aqueous solubilities and activity coefficients of mono- and dicarboxylic acids (C1–C6 and C2–C8, respectively) estimated using the COSMOtherm program. In addition, we have calculated effective equilibrium constants of dimerization and hydration of the same acids in the condensed phase. We were also able to improve the agreement between experimental and estimated properties of monocarboxylic acids in aqueous solutions by including clustering reactions in COSMOtherm calculations.
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