Solubility Measurement and Thermodynamic Correlation of m-Aminobenzoic Acid in 12 Pure Solvents from 283.15 to 323.15 K

We have determined the solubility of 4,4′-dimethoxybenzophenone (DMBP) in ten monosolvents and three binary solvent mixtures at temperatures ranging from 293.15 to 333.15 K and at atmospheric pressure. The solubility of DMBP in both monosolvents and binary solvent mixtures increases with temperature. The solubility of DMBP is greatest in the solvent benzene and lowest in the solvent methanol. The Apelblat equation is the most suitable equation for DMBP in both monosolvents and binary solvent mixtures, based on the results of our solubility experiment data and the data calculated by the thermodynamic models. The outcomes of the KAT-LSER model indicate that π* and δH play a prominent role in the dissolution behavior of DMBP. The mixing thermodynamic properties (Δmix G, Δmix H, and Δmix S) demonstrate that the mixing process of DMBP is an entropy-increasing and spontaneous process, and whether the process absorbs heat or not is related to the properties of the solvents.

Section: Methodsmentioning

confidence: 99%

Solubility Measurement, Modeling, and Solvent Effect of 4,4′-Dimethoxybenzophenone in Ten Monosolvents and in Three Binary Solvent Mixtures from 293.15 to 333.15 K

Liu,

Wu,

Yue

et al. 2024

“…The mole fraction solubility ( x 1 ) of DAAM is defined as eq 1. − where m A (= m 3 – m 1 ) is the mass of the solute; m B (= m 2 – m 3 ) is the mass of the solvent; and M A and M B represent the molecular weights of the solute and solvent, respectively.…”

Section: Methodsmentioning

confidence: 99%

Solubility Measurement and Thermodynamic Correlation of Diacetone Acrylamide in 15 Pure Solvents from 272.05 to 323.65 K

et al. 2021

For the design, optimization, and control of the solution crystallization process of diacetone acrylamide (DAAM), solid−liquid equilibrium data in various solvents are critical. In this work, the solubility of DAAM in 15 pure solvents, such as methanol, ethanol, n-propanol, isopropanol, n-butanol, 1-hexanol, isobutanol, n-pentanol, isopentanol, 2-butanone, acetone, ethyl acetate, 2-pentanone, acetonitrile, methyl acetate, and ethyl formate, is analyzed by a gravimetric method under ambient pressure and temperatures ranging from 272.05 to 323.65 K. The solubility values in all of the solvents are positively correlated with temperature. The solubility of DAAM can be satisfactorily correlated by the Apelblat equation, λh equation, nonrandom two-liquid (NRTL) model, and Wilson model, and the calculated solubility agrees well with the measured results. The obtained maximum relative average deviation (RAD) and root-mean-square deviation (RMSD) are 2.44 × 10 −2 (n-propanol, NRTL model) and 2.40 × 10 −2 (methanol, λh equation), respectively. The most suitable model is the Apelblat equation.

“…The practical application of chemical substances is always closely related to the interaction between the molecules in the system, and molecular interactions can determine its physical properties such as dissolution, crystal nucleation, and growth. , However, solubility is a crucial physicochemical characteristic in the crystallization process, which is a key factor in optimizing the crystallization process and predicting the final yield . Besides, disclosing the dissolving behavior of solute in different solvents is critical for control and optimization of solvent precipitation crystallization processes. − Therefore, it is essential to study the solid–liquid equilibrium of DMCA and intermolecular interaction in different solvent systems. In addition, there is no previous research on the dissolution behavior of DMCA in the literature.…”

Section: Introductionmentioning

confidence: 99%

Solubility Behavior, Solvent Effect, and Data Correlation of 3,4-Dimethoxycinnamic Acid in 12 Pure Solvents at Multiple Temperatures

Wang,

Zhang

et al. 2024

Dimethoxycinnamic acid (DMCA) is a crucial pharmaceutical intermediate, and the research on the solubility behavior of DMCA in organic solvents is necessary for processes of crystallization and separation. The solid−liquid equilibrium data of DMCA in 12 pure solvents (methanol, ethanol, n-propanol, isopropanol, n-butanol, isobutanol, acetone, 2-butanone, acetonitrile, methyl acetate, ethyl acetate, and 1,4-dioxane) ranging from 283.15 to 323.15 K were measured by the static gravimetric method. Its solubility in all studied solvents increases with an increase of temperature. Besides, solubility behavior is primarily determined by solvent polarity [E T (30)], hydrogen bonding, and cohesive energy density. Hirshfeld surface analysis and molecular electrostatic potential surface were applied to obtain visual analysis of the crystal structure and the overall charge distribution. What is more, five solubility fitting models were used to correlate the experimental mole fraction solubility data, including the modified Apelblat model, the λh equation, the non-random two liquid (NRTL) model, the Wilson model, and the UNIQUAC model. Furthermore, the NRTL model was utilized to calculate the mixing thermodynamic characteristics of DMCA in these solvents. The results indicated that the mixing process was entropy-driven and spontaneous.