Thermodynamics Research Center / ThermoML | Journal of Chemical and Engineering Data

ABSTRACT

Determination of the solubility of D-histidine in neat N-methyl-2-pyrrolidone (NMP), 1.4-dioxane, dimethyl sulfoxide (DMSO), ethylene glycol (EG), N,N-dimethylformamide (DMF), water, n-butanol, isobutanol, n-propanol, cyclohexane, isopropanol, methanol and ethanol was carried out via the shake flask method from 293.15 K to 333.15 K under ambient pressure of p = 101.2 kPa. The values of D-histidine solubility in the thirteen pure solvents increased with a rise of temperature. Highest value of mole fraction solubility of D-histidine was observed in the solvent of DMF, and lowest, in the solvent of methanol. The acquired solubility data in different solvents ranked as: DMF greater than NMP greater than DMSO greater than 1,4-dioxane greater than water greater than EG greater than n-butanol greater than isobutanol greater than n-propanol greater than cyclohexane greater than isopropanol greater than ethanol greater than methanol. It was correlated through the Apelblat equation. The largest root mean square deviation was 1.6410-3; and the maximum percentage of average relative deviation, 1.64. Additionally, the analysis of linear solvation energy relationship and molecular simulation were employed to study the solvent-solute and solvent-solvent interactions.