Solubility of sinapic acid in various (Carbitol + water) systems: computational modeling and solution thermodynamics

Abstract

The solubility and solution thermodynamic properties of a “bioactive nutraceutical” sinapic acid (SA) in different “2-(2-ethoxyethoxy)ethanol (Carbitol®) + water” mixtures were investigated. The “mole fraction solubilities (xe)” of SA in various “Carbitol + water” systems were determined at “T = 298.15–318.15 K” and “p = 0.1 MPa.” The measured xe values of SA were found well regressed by “Apelblat, van’t Hoff, Yalkowsky, Jouyban–Acree and Jouyban–Acree–van’t Hoff” models with mean percent deviations of < 4.0%. The maximum xe value of SA was recorded in pure Carbitol (4.15 × 10−2 at T = 318.15 K), and the minimum one was estimated in neat water (6.28 × 10−5 at T = 298.15 K). The regressed results were found to be in accordance with experimental results of SA. Using activity coefficients, mixing thermodynamic parameters of SA were determined. The results showed spontaneous dissolution of SA in most of the cosolvent mixtures.