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Solubility Modeling and Solvent Effects of Allopurinol in 15 Neat Solvents

  • Min Zheng
    Min Zheng
    College of Chemistry & Chemical Engineering, YangZhou University, YangZhou, Jiangsu 225002, People’s Republic of China
    More by Min Zheng
  • Jiao Chen
    Jiao Chen
    College of Chemistry & Chemical Engineering, YangZhou University, YangZhou, Jiangsu 225002, People’s Republic of China
    More by Jiao Chen
  • Gaoquan Chen
    Gaoquan Chen
    College of Chemistry & Chemical Engineering, YangZhou University, YangZhou, Jiangsu 225002, People’s Republic of China
    More by Gaoquan Chen
  • Renjie Xu
    Renjie Xu
    Guangling College, YangZhou University, YangZhou, Jiangsu 225009, People’s Republic of China
    More by Renjie Xu
  • , and 
  • Hongkun Zhao*
    Hongkun Zhao
    College of Chemistry & Chemical Engineering, YangZhou University, YangZhou, Jiangsu 225002, People’s Republic of China
    Guangling College, YangZhou University, YangZhou, Jiangsu 225009, People’s Republic of China
    *Tel: +86 514 87975244. E-mail: [email protected]
    More by Hongkun Zhao
Cite this: J. Chem. Eng. Data 2018, 63, 9, 3551–3558
Publication Date (Web):August 28, 2018
https://doi.org/10.1021/acs.jced.8b00430
Copyright © 2018 American Chemical Society

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    Abstract

    Abstract Image

    Experimental allopurinol solubility in water and 14 organic solvents, namely, N,N-dimethylformamide (DMF), isopropanol, ethanol, methanol, acetone, acetonitrile, n-propanol, n-heptanol, 1-hexanol, n-butanol, 2-butanone, N-methyl-2-pyrrolidone (NMP), 1,4-dioxane, and cyclohexane, has been studied by using the shake-flask method. The experiments were carried out over the temperature range from 278.15 to 333.15 K under p = 101.2 kPa. The solubility of allopurinol in selected solvents rose with the rise in temperature. The solubility values of allopurinol were recorded as the maximum in NMP and the minimum in cyclohexane. The obtained solubility data were mathematically described with the λh equation, Apelblat equation, and NRTL equation. The maximum percentage of the average relative deviation was 1.73 × 10–2, and the maximum value of the root-mean-square deviation was 2.416 × 10–4. Furthermore, the solvent effect was analyzed through the method of SERL (linear solvation energy relationship). The extent and types of solvent–solute and solvent–solvent interactions were recognized.

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