Solubility Determination and Modeling for 4,4′-Dihydroxydiphenyl Sulfone in Mixed Solvents of (Acetone, Ethyl Acetate, or Acetonitrile) + Methanol and Acetone + Ethanol from (278.15 to 313.15) K

Self Cite

The equilibrium solubility data of L-phenylalanine (C 9 H 11 NO 2 ) dissolved in hydrogen peroxide solutions with different concentrations were obtained at 273.15 and 283.15 K by the use of a static method under ambient pressure (p = 101.2 kPa), and the ternary phase diagrams of the C 9 H 11 NO 2 − H 2 O 2 −H 2 O system were constructed according to the determined solubility. At 273.15 and 283.15 K, two neat solid phases were generated in the ternary C 9 H 11 NO 2 −H 2 O 2 −H 2 O system, which corresponded to C 9 H 11 NO 2 and Lphenylalanine perhydrate C 9 H 11 NO 2 •H 2 O 2 •0.5H 2 O. The adduct C 9 H 11 NO 2 • H 2 O 2 •0.5H 2 O was identified by the traditional method of Schreinemaker's wet residue. The solubilities of C 9 H 11 NO 2 and C 9 H 11 NO 2 •H 2 O 2 •0.5H 2 O in water slightly increased with a rise in temperature. The crystalline region of the adduct of C 9 H 11 NO 2 •H 2 O 2 •0.5H 2 O shrunk as the experimentation temperature increased, indicating a little effect of temperature on the yield of C 9 H 11 NO 2Finally, the effect of ethanol and sodium chloride on the phase equilibrium was studied. Adding a certain amount of ethanol and sodium chloride can reduce the solubility of L-phenylalanine.

Section: Methodsmentioning

confidence: 99%

Solid–Liquid Phase Equilibrium and Diagram of a l-Phenylalanine–Hydrogen Peroxide–Water Ternary System

Zhou

Liu

et al. 2022

Self Cite

“…The modified Apelblat equation − has been widely used in describing the solid–liquid phase equilibrium. It is a semiempirical model with three parameters, and the equation is expressed as eq . In eq , x donates the solubility of indole-3-acetic acid in mole fraction, and parameters A and B reveal the influence of solution nonideality upon the solute solubility and the variation of solute activity coefficient, respectively.…”

Section: Results and Discussionmentioning

confidence: 99%

Equilibrium Solubility, Model Correlation, and Solvent Effect of Indole-3-acetic Acid in Twelve Pure Solvents

Zhan

Chen

et al. 2019

The solid–liquid solubility of indole-3-acetic acid in pure methanol, ethanol, n-propanol, isopropanol, acetone, n-butanol, acetonitrile, chloroform, ethyl acetate, 1,4-dioxane, N,N-dimethylformamide (DMF), and dimethyl sulfoxide (DMSO) was measured by using a isothermal saturation method. The determination temperature range is from 278.15 to 323.15 K. The order of solubility data from high to low was ethyl acetate > DMSO > DMF > n-butanol > acetone > isopropanol > 1,4-dioxane > n-propanol > ethanol > methanol > acetonitrile > chloroform. Two thermodynamic models (modified Apelblat equation and λh equation) were used to correlate the solubility values of indole-3-acetic acid in different monosolvents, and the two equations can correlate the experimental values very well. The values of root-mean-square deviations (RMSDs) and relative average deviations (RADs) between the experimental and calculated solubility values were not exceeding 0.27 × 10–6 and 0.75 × 10–2, respectively. In order to study the effect of solvation interaction on solubility, the solute–solvent and solvent–solvent interactions were discussed.

“…The modified Apelblat equation − expressed in eq is a semiempirical model with three parameters. It has been widely used in describing the solubility of solute in pure solvents for binary solid–liquid phase equilibrium. In eq , x is the mole fraction solubility of sulfachloropyridazine in six organic solvents; A , B , and C are adjustable parameters in the modified Apelblat equation.…”

Section: Results and Discussionmentioning

confidence: 99%

Solubility of Sulfachloropyridazine in Pure and Binary Solvent Mixtures and Investigation of Intermolecular Interactions

Chen

et al. 2018

The solubility of sulfachloropyridazine in pure methanol, ethanol, isopropanol, 1-butanol, water, acetonitrile, ethyl acetate, acetone, 1,4-dioxane and (methanol + water), (ethanol + water), and (isopropanol + water) binary solvent mixtures was determined by using a isothermal saturation method with temperatures ranging from (283.15 to 323.15) K. The descending order of the solubility in pure solvents was as follows: 1,4-dioxane > acetone > acetonitrile > ethyl acetate > methanol > ethanol >1-butanol > isopropanol > water. In three mixed solvents, the solubility of sulfachloropyridazine increased with increasing temperature and mass fraction of alcohol. At the same mass fraction of methanol, ethanol, or isopropanol and temperature, the solubility of sulfachloropyridazine in (methanol + water) was greater than that in the other mixed solvents. The obtained solubility data were correlated with modified Apelblat equation and Jouyban−Acree model. The results of correlation showed good agreement with experimental data; the largest values of relative average deviations and the root-mean-square deviations between the experimental and calculated solubilities were 3.61 × 10 −2 and 6.37 × 10 −4 , respectively. Furthermore, molecular dynamics simulation was carried out to explain the dissolving ability of the model compound.