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4-Chloro-2-nitroaniline Solubility in Several Pure Solvents: Determination, Modeling, and Solvent Effect Analysis

Abstract : The solubility of 4-chloro-2-nitroaniline in several neat solvents of ethylene glycol (EG), N-methyl pyrrolidone (NMP), methanol, ethanol, n-propanol, isopropanol, n-butanol, cyclohexane, acetonitrile, 1,4-dioxane, ethyl acetate, and water was attained via a shake-flask method from 278.15 to 323.15 K under the pressure of approximately 101.2 kPa. Within the examined temperature range, the mole fraction solubility of 4-chloro-2-nitroaniline increased with the rising temperature. The magnitude of solubility obeyed the sequence from high to low as: NMP > (ethyl acetate, acetonitrile) > 1,4-dioxane > methanol > ethanol > n-propanol > isopropanol > n-butanol > EG > cyclohexane > water. No polymorphic transformation or solvate formation took place in these neat solvents. The molecule interactions of solvent–solvent and solvent–solute were examined through a method of linear solvation energy relationship. The Wilson model, nonrandom two-liquid model, modified Apelblat equation, and λh equation were applied to mathematically describe the 4-chloro-2-nitroaniline solubility. The obtained maximum values of root-mean-square and relative average deviations were 31.83 × 10–4 and 3.79%, respectively, which showed that the modified Apelblat equation correlated better with the solubility data than the models. Also, the mixing property was resulted from the determined solubility data
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https://hal.univ-lorraine.fr/hal-02460597
Contributor : Jean-Noël Jaubert <>
Submitted on : Thursday, January 30, 2020 - 10:54:50 AM
Last modification on : Wednesday, October 14, 2020 - 4:07:50 AM

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Jian Wang, Xin Yuan, Jean-Noël Jaubert. 4-Chloro-2-nitroaniline Solubility in Several Pure Solvents: Determination, Modeling, and Solvent Effect Analysis. Journal of Chemical and Engineering Data, American Chemical Society, 2020, 65 (1), pp.222-232. ⟨10.1021/acs.jced.9b00919⟩. ⟨hal-02460597⟩

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