Determination and Correlation of the Solubility of Monosodium Fumarate in Different Neat and Binary Solvent Systems

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The mole fraction solubility data of N-acetyl-l-proline in 16 neat solvents (water, methanol, ethanol, n-propanol, isopropanol, n-butanol, isobutanol, sec-butanol, n-pentanol, acetone, 2-butanone, acetonitrile, dichloromethane, methyl acetate, ethyl acetate, and 1,4-dioxane) covering a temperature range of 283.15–323.15 K were measured by the static gravimetric method. The polymorphism of N-acetyl-l-proline was investigated by the powder X-ray diffraction test and the patterns show that there are two polymorphs within the studied solid–liquid equilibrium systems. The increasing temperature shows a positive effect on N-acetyl-l-proline solubility in all of the solvents and the largest increasing rate is observed in acetonitrile with an increase of 16-fold. The solubility behavior was found to be influenced by five factors including polarity, hydrogen bonding, solvent–solvent interactions, molecular construction, and viscosity. Two thermodynamic models, i.e., the modified Apelblat model and the Yaws model, were used for the correlation of solubility data. To evaluate the fitting results, the average relative deviation (ARD) and root-mean-square deviation (RMSD), as well as the Akaike information criterion (AIC) and Akaike weights, were computed for each model.

Section: Experimental Sectionsupporting

confidence: 61%

Solubility Behavior and Polymorphism of N-Acetyl-l-proline in 16 Individual Solvents from 283.15 to 323.15 K

Huang

Qiu

et al. 2021

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“…All chemicals were used in the experiments as received without further processing. The solubility data of l -arginine l -pyroglutamate in different solvent systems were determined by the static gravimetric method, which has been described and verified in our previous studies. − The method mainly includes three steps: solid–liquid equilibrium, solid–liquid phase separation, and supernatant analysis. The detailed process for solubility determination is given in the Supporting Information.…”

Section: Methodsmentioning

confidence: 99%

“…To determine whether the crystal transformation of l -arginine l -pyroglutamate occurs in the experiments, the equilibrium solids in different solvent systems and the raw material of l -arginine l -pyroglutamate were characterized using XRPD. Our previous study has described the preparation method of these samples in detail . Each sample was scanned from 5 to 60° in 2θ at a scanning rate of 10° per minute at Cu Kα radiation (1.5406 Å) under the current of 150 mA and a voltage of 40 kV.…”

Section: Methodsmentioning

confidence: 99%

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Solubility Behavior and Polymorphism of l-Arginine l-Pyroglutamate in Nine Pure Solvents and a Binary Water + Ethanol System

Han

Liu

et al. 2021

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The solubility data of L-arginine L-pyroglutamate were determined by the static gravimetric method from 283.15 to 323.15 K in nine pure solvents (water, methanol, ethanol, isopropanol, acetone, acetonitrile, dichloromethane, ethyl acetate, and n-hexane) and a water + ethanol binary solvent system. According to experimental results, solubility was positively correlated with temperature. In the selected solvent systems, three different polymorphs denoted as α-form, β-form, and γ-form were found. In addition, from the data analysis results, the polarity, hydrogen bonding, Hildebrand solubility parameters, and the molecular structure affected the dissolution equilibrium. Two thermodynamic models including the modified Apelblat model and the Yaws model were used to correlate the solubility data. Meanwhile, these models were evaluated by the Akaike information criterion method.

“…All the chemicals were used without any further treatment. A static gravimetric method, − was used for determining the solubility of l -thioproline in the selected solvent systems. The detailed experimental procedures are described in the Supporting Information file.…”

Section: Methodsmentioning

confidence: 99%

Solid–Liquid Equilibrium of l-Thioproline in Nine Neat Solvents and Water + Acetonitrile Binary Solvent System from 283.15 to 323.15 K: Solubility Determination and Data Modeling

Qiu

Wang

et al. 2021

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The data on the solubility of L-thioproline in a mole fraction scale in nine individual solvents (water, methanol, ethanol, isopropanol, acetone, acetonitrile, dichloromethane, ethyl acetate, and 1,4-dioxane) and one binary solvent mixture of water + acetonitrile was measured by a static gravimetric method from 283.15 to 333.15 K. Whether or not a neat or binary solvent system is used, the solubility is nonlinearly positively correlated with the experimental temperatures. At a given temperature, the solubility presents an order of water > acetone ≈ 1,4-dioxane > dichloromethane ≈ ethanol ≈ ethyl acetate > methanol > isopropanol > acetonitrile, which is a result of the multiple influences of many factors related to intermolecular interactions. Four thermodynamic models, including the modified Apelblat, Yaws, Jouyban−Acree, and Apelblat−Jouyban−Acree models were employed for correlating the solubility data, and the results show a satisfactory fitting effect for each model.