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Solubility of Sulfachloropyridazine in Pure and Binary Solvent Mixtures and Investigation of Intermolecular Interactions

  • Rongrong Li*
    Rongrong Li
    School of Pharmaceutical and Chemical Engineering, TaiZhou University, Taizhou, Zhejiang 318000, PR China
    *E-mail: [email protected] (R.L.).
    More by Rongrong Li
  • Sangfei Ye
    Sangfei Ye
    School of Pharmaceutical and Chemical Engineering, TaiZhou University, Taizhou, Zhejiang 318000, PR China
    More by Sangfei Ye
  • Yongfei Chen
    Yongfei Chen
    School of Pharmaceutical and Chemical Engineering, TaiZhou University, Taizhou, Zhejiang 318000, PR China
    More by Yongfei Chen
  • Ming Jiang
    Ming Jiang
    School of Life Science, TaiZhou University, Taizhou, Zhejiang 318000, PR China
    More by Ming Jiang
  • Yanxian Jin
    Yanxian Jin
    School of Pharmaceutical and Chemical Engineering, TaiZhou University, Taizhou, Zhejiang 318000, PR China
    More by Yanxian Jin
  • Wenping Jia
    Wenping Jia
    School of Pharmaceutical and Chemical Engineering, TaiZhou University, Taizhou, Zhejiang 318000, PR China
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  • Xiaoying Chen
    Xiaoying Chen
    School of Pharmaceutical and Chemical Engineering, TaiZhou University, Taizhou, Zhejiang 318000, PR China
  • Shiyun Zhan
    Shiyun Zhan
    School of Pharmaceutical and Chemical Engineering, TaiZhou University, Taizhou, Zhejiang 318000, PR China
    More by Shiyun Zhan
  • , and 
  • Deman Han*
    Deman Han
    School of Pharmaceutical and Chemical Engineering, TaiZhou University, Taizhou, Zhejiang 318000, PR China
    *E-mail: [email protected] (D.H.).
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Cite this: J. Chem. Eng. Data 2018, 63, 6, 2002–2008
Publication Date (Web):June 4, 2018
https://doi.org/10.1021/acs.jced.7b01134
Copyright © 2018 American Chemical Society

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    Abstract

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    The solubility of sulfachloropyridazine in pure methanol, ethanol, isopropanol, 1-butanol, water, acetonitrile, ethyl acetate, acetone, 1,4-dioxane and (methanol + water), (ethanol + water), and (isopropanol + water) binary solvent mixtures was determined by using a isothermal saturation method with temperatures ranging from (283.15 to 323.15) K. The descending order of the solubility in pure solvents was as follows: 1,4-dioxane > acetone > acetonitrile > ethyl acetate > methanol > ethanol >1-butanol > isopropanol > water. In three mixed solvents, the solubility of sulfachloropyridazine increased with increasing temperature and mass fraction of alcohol. At the same mass fraction of methanol, ethanol, or isopropanol and temperature, the solubility of sulfachloropyridazine in (methanol + water) was greater than that in the other mixed solvents. The obtained solubility data were correlated with modified Apelblat equation and Jouyban–Acree model. The results of correlation showed good agreement with experimental data; the largest values of relative average deviations and the root-mean-square deviations between the experimental and calculated solubilities were 3.61 × 10–2 and 6.37 × 10–4, respectively. Furthermore, molecular dynamics simulation was carried out to explain the dissolving ability of the model compound.

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