Solubility correlation and thermodynamic analysis of two forms of Metaxalone in different pure solvents

The solubility of insensitive explosive 2,6‐diamino‐3,5‐dinitropyrazine‐1‐oxide (LLM‐105) in dimethyl sulphoxide (DMSO), N,N‐dimethylformamide (DMF), N‐methyl‐2‐pyrrolidone (NMP), N,N‐diethylformamide (DEF), 1,4‐dioxane, 1,4‐butyrolactone, ethyl acetate and 1‐butyl‐3‐methylimidazolium trifluoromethanesulfonate ([Bmim]CF3SO3), were measured by a polythermal method in the temperature range of 293.15 K to 375.15 K at the atmospheric pressure. The solubility of LLM‐105 decreased in the order of DMSO, NMP, DMF, DEF, 1,4‐butyrolactone, [Bmim]CF3SO3, 1,4‐dioxane, ethyl acetate. With higher temperature, the solubility of LLM‐105 increased in all solvents. The solubility data was correlated against temperature with the modified Apelblat equation and Ideal solution model. In addition, the dissolution enthalpy, entropy, and mole Gibbs free energy of LLM‐105 in each solvent were also calculated from the experimental solubility data by using van′t Hoff equation with the temperature dependence. The results show that the dissolution process of LLM‐105 in these solvents is endothermic and the mechanism is the entropy‐driving. DMSO is suggested as the appropriate solvent for the cooling crystallization or drowning‐out crystallization of LLM‐105.

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“…The Ideal solution model is a simplified thermodynamic equation for (solvent + solute) equilibrium theory, which was described as [14,15]:…”

Section: Ideal Solution Modelmentioning

confidence: 99%

“…In addition, the thermodynamic Equation (4) can be modified to a new thermodynamic equation as: [14,15].…”

Section: Modified Apelblat Modelmentioning

confidence: 99%

Measurement, Correlation and Thermodynamics of Solubility of 2,6‐Diamino‐3,5‐Dinitropyrazine‐1‐Oxide (LLM‐105) in Eight Solvents

Zhou

Huang

et al. 2017

Propellants Explo Pyrotec

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“…The values of Δ mix S are positive within the investigated conditions, which indicates an entropically favorable process. 36 In brief, the calculation and discussion of the mixing thermodynamic properties may be helpful for the understanding of the dissolution process of sodium thioglycolate.…”

Section: Resultsmentioning

confidence: 99%

Solubility Determination and Thermodynamic Modeling of Sodium Thioglycolate in Pure and Binary Solvent Mixtures from T = (293.15 to 333.15) K

Zhang

et al. 2017

J. Chem. Eng. Data

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The solubility of sodium thioglycolate in five pure solvents of water, methanol, ethanol and isopropyl alcohol, n-propanol and four binary solvent mixtures (water + methanol, water + ethanol, water + isopropyl alcohol, water + n-propanol) was determined within the temperature range from (293.15 to 333.15) K by using the gravimetrical method under atmospheric pressure (p = 0.1 MPa). The solubility of sodium thioglycolate in water, ethanol, isopropyl alcohol, and n-propanol increases with a rise of temperature, but the solubility decreases in methanol with increasing temperature. Meanwhile, in the binary solvent mixtures (water + methanol, water + ethanol, water + isopropyl alcohol, water + n-propanol), the solubility of sodium thioglycolate increases with increasing the mole fraction of water and with temperature. The modified Apelblat equation and van’t Hoff equation were applied to correlate the solubility of sodium thioglycolate in the five pure solvents, while in the binary solvent mixtures, the solubility was correlated by the modified Apelblat equation, CNIBS/R-K model, and Jouyban–Acree model. It was shown that the correlated results were in better agreement with the experimental data. Also, the mixing thermodynamic properties for sodium thioglycolate in the binary solvent mixtures were calculated.

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“…Crystallization is an important step for separation and purification of drug substances in the pharmaceutical industry, and crystallization conditions have a great impact on the properties of the final product, such as purity, particle size and polymorphism. Fundamental solubility data provide vital information for thermodynamic study to design crystallization process (Hong et al, 2016; *Corresponding author. E-mail: rgb@ecust.edu.cn.…”

Section: Introductionmentioning

confidence: 99%

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2018

J. Eng. Manuf. Technol.

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The solubility of Pranlukast in isopropanol and isopropanol-N,Ndimethylformamide binary solvents from 293.15 to 333.15 K at atmospheric pressure was determined by dynamic laser method. The results obtained show that the solubility of Pranlukast increased with increasing temperature in a certain solvent system, and also increased with increasing mole fraction of N,Ndimethylformamide in the binary solvent systems at a specific temperature. Experimental data were correlated using the modified Apelblat model, the CNIBS/Redlich-Kister model and the 3D Jouyban-Acree model. The results obtained suggest that all the models provided good fit, with the most accurate prediction obtained from the modified Apelblat model. Thermodynamic properties including standard enthalpy, standard entropy and molar Gibbs free energy change of solution were calculated as well, which indicated that the dissolution process was endothermic and non-spontaneous.

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Solubility correlation and thermodynamic analysis of two forms of Metaxalone in different pure solvents

Cited by 16 publications

References 28 publications

Measurement, Correlation and Thermodynamics of Solubility of 2,6‐Diamino‐3,5‐Dinitropyrazine‐1‐Oxide (LLM‐105) in Eight Solvents

Measurement, Correlation and Thermodynamics of Solubility of 2,6‐Diamino‐3,5‐Dinitropyrazine‐1‐Oxide (LLM‐105) in Eight Solvents

Solubility Determination and Thermodynamic Modeling of Sodium Thioglycolate in Pure and Binary Solvent Mixtures from T = (293.15 to 333.15) K

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