2019/12/31 by Zhehua Jia, Hao Yin, Youhua Zhao +1 · 20 citations
Chemical Engineering · Chemistry · Materials Science · #Acetonitrile #Activity coefficient #Analytical Chemistry and Chromatography #Aqueous solution #Butanone #Chemical and Physical Properties in Aqueous Solutions #Chemistry #Crystallization and Solubility Studies #Cyclohexane #Dissolution #Enthalpy #Ethyl acetate #Isobutanol #Methanol #Mole fraction #Non-random two-liquid model #Octanol #Organic chemistry #Partition coefficient #Physical chemistry #Solubility #Solvation #Solvent #Thermodynamics
paper · doi:10.1021/acs.jced.9b01004
published in Journal of Chemical & Engineering Data 65(1), 287-295 (American Chemical Society)
openalex publication_date 2019/12/31 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/30
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, λ h 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.