2019/12/31 by Zhehua Jia, Hao Yin, Youhua Zhao +1 · 3 citations
Materials Science · Chemical Engineering · Chemistry · #Crystallization and Solubility Studies #Chemical and Physical Properties in Aqueous Solutions #Analytical Chemistry and Chromatography
paper · doi:10.1021/acs.jced.9b01004
The solubility of 3-bromo-4-hydroxybenzaldehyde in 16 monosolvents of n-pentanol, methanol, isobutanol, ethanol, ethylene glycol (EG), n-propanol, acetonitrile, isopropanol, N,N-dimethylformamide (DMF), n-butanol, n-octanol, cyclohexane, water, ethyl acetate, dimethylsulfoxide (DMSO), and 1,4-dioxane was attained through experiment via the saturation shake-flask method covering from 278.15 K to 323.15 K under local ambient pressure p = 101.2 kPa. The solubility magnitude in mole fraction of 3-bromo-4-hydroxybenzaldehyde in the selected solvents raised as the studied temperature raised and had the subsequent order in various monosolvents: (n-octanol, DMF) > 1,4-dioxane > (DMSO, n-pentanol) > n-butanol > isobutanol > ethyl acetate > n-propanol > isopropanol > ethanol > acetonitrile > EG > methanol > cyclohexane > water. The interactions of solvent–solute and solvent–solvent molecules were inspected by using a method of linear solvation energy relationships. The NRTL model, λh equation, modified Apelblat equation, and Wilson model were employed herein to mathematically correlate the solubility data. The results specified that the gained maximum relative average deviation (RAD) and root-mean-square deviation (RMSD) values through these models/equations were, respectively, 2.86 × 10–2 and 942.9 × 10–6. The RAD values were lower obtained through the modified Apelblat equation than the other equations/models for a given solvent. As well, the mixing properties of dissolution, activity coefficient at infinitesimal concentration, and reduced excess enthalpy were calculated based on the Wilson equation.