Solid–Liquid Phase Equilibrium of trans-Cinnamic Acid in Several Alcohols: Measurements and Thermodynamic Modeling

Abstract

The solubilities of trans-cinnamic acid (t-CA) in methanol, ethanol, propanol, n-butanol, isopropyl alcohol, and isobutyl alcohol were measured by a synthetic method at temperatures ranging from (283.15 to 333.15) K. The modified Apelblat equation, the λh equation, and activity coefficient models (nonrandom two-liquid, NRTL; universal quasichemical, UNIQUAC) were used to correlate these data. It was found that all of the models show good agreement with the experimental data, and the modified Apelblat equation and NRTL model give better correlation results. Furthermore, on the basis of the NRTL model and experimental data, the thermodynamic excess functions (G E, S E, H E) of t-CA + alcohols (methanol, ethanol, propanol, n-butanol, isopropyl alcohol, and isobutyl alcohol) system were determined.

Solid-liquid phase equilibrium of trans-cinnamic acid, p-coumaric acid and ferulic acid in water and organic solvents: Experimental and modelling studies

“…In the case of p-coumaric acid, Acree and co-authors [40] regressed the Abraham solute descriptors using 32 LFERs, including expressions derived from Eqs. (5)(6). The parameters reported by the authors [40] are comparable to those calculated in this work.…”

“…Therefore, the experimental solubilities measured in seven solvents (water, methanol, ethanol, 2-propanol, ethyl acetate, acetonitrile and 2-butanone) were used to correlate the four conceptual segment parameters (X, Y À , Y þ , Z) for each solute. Afterwards, the solubility in 1-propanol (data from this work) and in other organic solvents [6,8,10,11,14] was predicted. The deviations between the experimental and calculated data were calculated as:…”

Solubility Measurement and Correlation of Two Erlotinib Hydrochloride Polymorphs in Alcohols and Ketones from 273.15 to 323.15 K

“…The modified Apelblat equation, deduced from the Clausius–Clapeyron equation, can be written as the following expression , where x represents the mole fraction solubility of erlotinib hydrochloride polymorphs at the temperature T ; a , b , and c are the equation parameters acquired through the regression of experimental solubility data. To an extent, a and b reflect the effect of solution nonideality on the solubility of the solute, and c reveals the relationship between temperature and the enthalpy of fusion of the solute .…”

“…Solubility Correlation. The modified Apelblat equation, deduced from the Clausius−Clapeyron equation, 21 can be written as the following expression 22,23…”

Solubility and solid phase studies of isomeric phenolic acids in pure solvents

“…The original UNIFAC model [25] and its modified versions have been applied over the last years to describe the solid-liquid equilibria of phenolic compounds in binary and multicomponent mixtures [23,[26][27][28][29][30]. The NRTL model [31] and its variants, especially NRTL-SAC [32], have also shown very satisfactory results in the correlation of the solubilities of phenolic compounds in water and organic systems [19,22,24,[28][29][30][33][34][35][36]. Recently, NRTL-SAC was also employed to screen the best solvents to optimize the extraction of phenolic compounds in chromatographic processes [37][38][39].…”