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

ABSTRACT

Solubility of 1-hydroxybenzotriazole in 16 neat solvents including methanol, ethanol, n-propanol, isopropanol, acetone, butanone, isoamyl alcohol, n-hexanol, n-heptanol, isooctyl alcohol, N,N-dimethylformamide (DMF), dimethyl sulfoxide (DMSO), ethyl acetate, acetonitrile, 1,4-dioxane, and toluene was measured using the method of isothermal saturation over a temperature range from (278.15 to 313.15) K under atmospheric pressure (101.1 kPa). The mole fraction solubility of 1-hydroxybenzotriazole in the selected solvents increased with an increase of temperature. They followed the order from high to low in studied neat solvents: DMF greater than DMSO greater than ethanol greater than n-propanol greater than isopropanol greater than methanol greater than butanone greater than acetone greater than1,4-dioxane greater than n-heptanol greater than n-hexanol greater than isoamyl alcohol greater than isooctyl alcohol greater than ethyl acetate greater than acetonitrile greater than toluene. The obtained solubility data of 1-hydroxybenzotriazole in the studied solvents were correlated with the h equation, modified Apelblat equation, and NRTL and Wilson models. The largest value of root-mean-square deviation was 7.65 * 10 4, and relative average deviation, 4.21%. The values of root-mean-square deviation obtained with the modified Apelblat equation were smaller than those with the other equations for a given solvent. By and large, the four thermodynamic models all provided acceptable results for 1-hydroxybenzotriazole in the studied solvents. Moreover, the apparent dissolution enthalpy and the mixing enthalpy, mixing Gibbs energy, mixing entropy, reduced excess enthalpy, and activity coefficient at infinitesimal concentration were derived. The obtained solubility and thermodynamic studies could provide the fundamental data for optimizing the reaction and purification procedure of 1-hydroxybenzotriazole.