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The solubility of florfenicol form A in eight pure organic solvents (propionic acid, ethanol, 1-propanol, 1-butanol, 2-propanol, 2-methyl-1-propanol, 3-methyl-1-butanol, and 2-ethyl-1-hexanol) and three binary solvents (dimethyl sulfoxide + ethanol, dimethyl sulfoxide + 1-propanol, and dimethyl sulfoxide + 1-butanol) was measured by a laser dynamic method at temperature from 283.15 to 323.15 K. The experimental results show that the mole fraction solubility of florfenicol in the pure solvents decreased according to the following order: ethanol > 1-propanol > 2-propanol > 1-butanol > 3-methyl-1-butanol > 2-methyl-1-propanol ≈ propionic acid > 2-ethyl-1-hexanol. The experimental results show that the mole fraction solubility of florfenicol form A in the binary solvents increased with the increase of temperature and dimethyl sulfoxide mass fraction. The experimental solubility data were well correlated with the four thermodynamic models: modified Apelblat equation, Λh equation, NRTL model equation, and Wilson model equation. The modified Apelblat model equation was regarded as the best one to fit the experimental values in the pure solvents. [ABSTRACT FROM AUTHOR]

Recently, the Eyring-modified two-suffix-margules (MTSM) model for calculating viscosities of ionic liquid mixtures was proposed by Atashrouz et al. (Atashrouz, S.; Zarghampour, M.; Abdolrahimi, S.; Pazuki, G.; Nasernejad, B. J. Chem. Eng. Data 2014, 59, 3691-3704). In this work, a simple modification of the Eyring-MTSM model was presented and applied to the viscosity calculation of binary mixtures of organic solvents. The accuracy of the modified model was assessed by comparing experimental viscosities at atmospheric pressure for 182 binary mixtures, and the overall average relative deviation (ARD) between the calculated results and literatures is 0.61%. In addition, the relationship between the parameters in the model and the boiling point of mixtures was established. Experimental viscosities containing 478 binary mixtures were used to evaluate the reliability of the relations, and good agreement was obtained between experimental and calculated values with ARD of 1.62%. Furthermore, the modified Eyring-MTSM model was extended to the viscosities of high pressures. The ARD is 1.61% for the high-pressure viscosities of 63 binary mixtures. The predictive ability of the model was also tested, and the model is suitable for the prediction of the homologous mixtures. [ABSTRACT FROM AUTHOR]

In this paper, the electrical conductivities of ionic liquid 1-butyl-3-methylimidazolium bis[(trifluoromethyl)sulfonyl]imide ([BMIM][TFSI]) in mixed organic solvents of propylene carbonate (PC) + γ-butyrolactone (GBL) and ethylene carbonate (EC) + dimethyl carbonate (DMC) were measured. The effects of mixed organic solvents with different ratios (1:0, 2:1, 1:1, 1:2, 0:1) on the electrical conductivity of ionic liquid were investigated. The organic solvents EC and DMC have a synergistic effect for the electrical conductivity of [BMIM][TFSI]-EC/DMC, and the optimal ratio of EC to DMC is 1:1; however, the organic solvents have no synergistic effect in [BMIM][TFSI]-PC/GBL. The concentration dependence of the electrical conductivity of the solution can be well fitted by the empirical Casteel-Amis equation. The effects of temperature on electrical conductivity can be described by the Vogel-Tamman-Fulcher (VTF) equation and the Arrhenius equation. The IL concentration dependence of the activation energy Ea and the pre-exponential factor A in the Arrhenius equation were also investigated, and fitted by empirical equations. On the basis of the VTF equation and the Arrhenius equation, a quasi-Arrhenius equation was proposed to describe the effects of temperature and composition on the electrical conductivity simultaneously in binary systems and ternary systems, and the correlation results agree well with the experimental results. [ABSTRACT FROM AUTHOR]

In the present study, the solubility of limonin in eight organic solvents and a binary solvent system (ethyl acetate + 2-propanol) was determined by the high-performance liquid chromatography analysis method within the temperature range from 283.2 to 323.2 K. The results showed that the solubility of limonin increased with temperature in the eight pure solvents and the binary solvent mixtures. In the binary solvent system ethyl acetate + 2-propanol, the solubility decreased with the initial mole fraction of ethyl acetate. The experimental solubility of limonin was well correlated with temperature by the simplified thermodynamic equation, modified Apelblat equation, λh equation, and NRTL equation. Furthermore, the solubility of limonin in the binary solvent mixtures was correlated with both temperature and initial solvent composition of the binary solvent mixtures by the Jouyban-Acree model, van't Hoff-Jouyban-Acree model, modified Apelblat-Jouyban-Acree model, Ma model, Sun model, and NRTL model. Finally, the thermodynamic properties of the mixing process, including mixing Gibbs energy, mixing enthalpy, and mixing entropy, were also calculated. [ABSTRACT FROM AUTHOR]

The solubility of dipyridamole p-toluene sulfonate in seven monosolvents (methanol, ethanol, 1-propanol, 2-propanol, 1-butanol, isobutanol, 2-butanol) and three different binary solvents (methanol + ethanol, methanol + 1-propanol, methanol + 1-butanol) was measured by a gravimetric method at temperatures ranging from 288.15 to 328.15 K. The experimental results indicate that the solubility of dipyridamole p-toluene sulfonate increases with increasing temperature while showing negative correlation with the mole fraction of organic solvents (ethanol, 1-propanol, 1-butanol) at a given temperature in binary solvents. The Apelblat model, the CNIBS/R-K model, and the modified version of Jouyban-Acree models (the Apel-JA equation) were used to correlate the experimental data, and the calculated results of above models were found to agree well with the experimental data. [ABSTRACT FROM AUTHOR]

The solubility of eight biologically active nonaromatic compounds with a common 3-thia-1-aza-bicyclo fragment in 1-octanol and hexane was determined in the temperature range of T = 293.15-315.15 K. The solubility of the substances in alcohol is approximately 2 orders of magnitude higher than in alkane and varies within 3.0 x 10-3 to 2.1 x 10-1 and 7.1 x 10-5 to 13.5 x 10-3 mol. fractions, respectively. In accordance with the structure of the substituent at the para position of the phenyl ring, the studied compounds are arranged in the following order of decreasing solubility in both solvents: methyl- > fluoro- > ethyl- > trifluoromethyl- > cyano- > acetyl-. The ideal solubility of the substances in 1-octanol, calculated from thermophysical parameters was found to correlate with the reported experimental data. The activity coefficients of the substances in saturated solutions of organic solvents are determined by the method of distribution between two liquid phases. The thermodynamic aspects of the relationship between the processes of dissolution, melting, sublimation, and solvation of the substances are discussed. [ABSTRACT FROM AUTHOR]

The solubilities of 3-nitrobenzonitrile in 12 organic solvents including methanol, ethanol, n-propanol, isopropanol, acetone, n-butanol, 2-methyl-1-propanol, acetonitrile, acetic acid, ethyl acetate, cyclohexane, and toluene were measured by the static method within the temperature range from (278.15 to 318.15) K under atmospheric pressure of 101.1 kPa. The mole fraction solubility of 3-nitrobenzonitrile in the selected solvents increased with a rise in temperature. In general, they ranked as acetone > (acetonitrile, ethyl acetate) > toluene > acetic acid > methanol > ethanol > n-propanol > n-butanol > isopropanol >2-methyl-1-propanol > cyclohexane. The achieved solubilities of 3-nitrobenzonitrile were correlated via the λh equation, modified Apelblat equation, NRTL model, and Wilson model. The maximum relative average deviation and root-mean-square deviation were 1.87% and 2.399 × 10-3, respectively. Finally, the mixing properties, e.g., change in Gibbs energy, enthalpy, entropy, activity coefficient at infinitesimal concentration, and reduced excess enthalpy, were also derived on the basis of the Wilson model. The mixing process of 3-nitrobenzonitrile in these solvents was endothermic and spontaneous. [ABSTRACT FROM AUTHOR]

Ionic liquids are considered green solvents and widely investigated. 1-Butyl-3-methylimidazolium chloride shows promise for making biofuels from biomass. In this work, the experimental densities of the binary mixtures, comprising ionic liquids of 1-butyl-3-methylimidazolium chloride and organic solvents (i.e., N,N-dimethylacetamide, N,N-dimethylformamide, dimethyl sulfoxide, and pyridine), are determined at atmospheric pressure (0.0967 MPa) from 303.15 to 353.15 K. The excess molar volumes are determined to understand the interaction between ionic liquid and organic solvents, and a Redlich-Kister type equation is used to describe the excess properties. Moreover, the derived volumetric properties of thermal expansion coefficients are calculated as well as the excess coefficients. [ABSTRACT FROM AUTHOR]

The solubility data of fosfomycin sodium (FOM-Na) in six pure solvents (methanol, ethanol, propanol, cyclohexane, acetone, N,N-dimethylformamide) and two binary solvents (methanol + ethanol, methanol + acetone) at temperatures ranging from 283.15 to 323.15 K were measured by a laser monitoring dynamic method at atmospheric pressure. It turned out that the solubility data decreased with increasing temperature, and also varies with the composition of the solvents. Moreover, the experimental data in pure solvents have been correlated with two thermodynamic models (i.e., modified Apelblat and van't Hoff), and the data in binary solvents have been correlated with CNIBS/R-K equation and two modified versions of Jouyban-Acree models (Van't-JA equation and Apel-JA equation), respectively. All the results showed a good agreement with the experimental data. Intermolecular interaction force and dielectric constants are introduced to explain the relationship between solubility and temperature. In addition, the analysis of the solubilities implies that higher temperature may destroy the forces between the solvent and solute molecules, leading to lower solubility. And this can give a guide to the design and optimization of the crystallization process of FOM-Na in the industry. [ABSTRACT FROM AUTHOR]

We focused on the solubility of olaparib under atmospheric pressure in isopropyl alcohol, MTBE, acetonitrile, and tetrahydrofuran as well as in the (tetrahydrofuran + MTBE, acetonitrile + isopropyl alcohol) mixtures from 280.35-319.35 K. It is found that the solubility of olaparib and temperature were positively correlated in the range of our study. We chose the modified Apelblat equation, the Buchowski-Ksiazaczak λh equation, CNIBS/R-K equation, and the Jouyban-Acree equation to verify the thermodynamic properties of olaparib. Computational results showed that all selected equations agreed well with the experimental data, and the modified Apelblat equation gives the best correlation. We also selected two binary solvent dissolution systems, and the test found that (tetrahydrofuran + MTBE) mixtures may be a good recrystallization system. This study provides valuable data for olaparib's production process purification. [ABSTRACT FROM AUTHOR]

Novel experimental data of density for mixtures containing CO2 + ethanol, CO2 + ethyl lactate, CO2 + glycerol + ethanol, and CO2 + glycerol + ethyl lactate at low/moderate temperatures (308 and 323 K), pressures between 5 and 30 MPa, and high amounts of the organic solvent (molar fraction x = 0.5-0.9) are presented. The chosen organic solvents (ethanol, ethyl lactate, and glycerol) are green and applicable in food industry and present different polarizabilities. The density of CO2 + ethanol increased with the increment in the molar fraction of CO2, and the opposite was observed for the mixtures of CO2 + ethyl lactate. By adding a small amount of glycerol to the mixture of CO2 + ethanol and CO2 + ethyl lactate, it was possible to increase the density even a little further. The experimental data of density were well-correlated using the Peng-Robinson equation of state (PR-EOS) combined with Péneloux volume translation. [ABSTRACT FROM AUTHOR]

The solubilities of 1-naphthaleneacetic acid (NAA) have been measured by the synthetic method in 10 pure organic solvents including methanol, ethanol, 2-propanol, toluene, acetone, acetonitrile, 1,4-dioxane, 1,2-dichloroethane, ethyl acetate, and tetrahydrofuran and binary methanol + water mixtures from (278.25 to 323.55) K under atmospheric pressure. The modified Apelblat equation, λh equation, and Wilson equation were employed to correlate the solubility data. Furthermore, the solubility of NAA in a binary solvent mixture was regressed with a combined nearly ideal binary solvent/Redlich-Kister (CNIBS/R-K) equation and the hybrid equation. According to the calculations based on these equations, the modified Apelblat equation gave the best correlation results with the experimental data in all selected solvents. [ABSTRACT FROM AUTHOR]

The solubility of ε-CL-20 was assessed in 12 organic solvents by the equilibrium method at temperatures ranging from 278.15 to 318.15 K and 0.1 MPa. The order of the solubility of ε-CL-20 was ethyl acetate > butyl acetate > triethyl-orthoformate > methanol > ethanol > propanol > 1-butanol > isopropyl alcohol > m-xylene > chloroform > toluene > cyclohexane. The modified Apelblat equation was used to correlate the experimental solubility values at these temperatures in these solvents and the results showed good agreement with the experimental values. [ABSTRACT FROM AUTHOR]

The solubilities of 4',5,7-triacetoxyflavanone in eight different alcohols, 2-methoxyethanol, 2-propoxyethanol, 2-butoxyethanol, ethyl acetate, tetrahydrofuran, and acetone have been measured with an HPLC (high-performance liquid chromatography) analysis method at the experimental temperature from 278.2 to 318.2 K. The solubilities of 4',5,7-triacetoxyflavanone in selected solvents increase with an increasing of temperature. The solubilities of 4',5,7-triacetoxyflavanone were correlated with the modified Apelblat equation and universal quasichemical (UNIQUAC) equation, respectively. The correlated solubilities were in good accordance with the measured data at the experimental temperature. Furthermore, the crystal habits of 4',5,7-triacetoxyflavanone in selected solvents were studied in this work. [ABSTRACT FROM AUTHOR]

In the present study, the reactive extraction of levulinic acid (4-oxopentanoic acid) was investigated by using Aliquat 336 in various organic solvents [benzene, dichloromethane (DCM), dodecane, methyl isobutyl ketone (MIBK), 1-octanol] from dilute aqueous solution. Equilibrium data obtained at 298 K and 101.325 kPa were used to determine the values of distribution coefficient (K D), degree of extraction (E%), loading factor (Z), and complexation constants (K E). Among the diluents tested, DCM gave the highest extraction efficiency. Using 0.5454 mol·kg-1 of Aliquat 336 in DCM, K D and E% were obtained as 2.082 and 67.55%, respectively, at 0.2795 mol·kg-1 initial acid concentration in the aqueous solution. Z values were found to be between 0.033 and 1.628 depending on the nature of the diluent used and Aliquat 336 concentration in the organic phase. Using mass action law modeling, the stoichiometry of the extraction reaction was determined. It was observed that mostly 1:1, 2:1, and 3:1 types of complexes were formed. The results inferred that the polarity and the molecular size of the solvent were the important critical factors which decide the solubilization of the solvates in the organic phase. DCM was found to be the most appropriate solvent among tested ones for the reactive extraction of levulinic acid. The feasibility of the extraction process was also assessed by calculating the minimum solvent (extractant + diluent) to feed ratio and the number of theoretical stages required for the recovery of levulinic acid in the extraction column. [ABSTRACT FROM AUTHOR]

The solubility of 3,7,9,11-tetraoxo-2,4,6,8,10-pentaaza[3.3.3]propellane (TOPAP) was measured in pure H2O and 11 other organic solvents, including methanol, acetonitrile, acetone, ethyl acetate, ethanol, tetrahydrofuran, n-propanol, i-propanol, dioxane, ethylene glycol, and toluene in the temperature range from 273.15 to 318.15 K at an interval of 5 K by the equilibrium method with ultraviolet detection. For all reagents selected, the results showed that the solubility data of TOPAP increased with increasing temperature. All of the obtained experimental results in all mentioned solvents were correlated with temperature by using the ideal solution model, Apelblat model, Yaws model, λh equation, and NRTL model. The ideal solution model, Apelblat model, Yaws model, and λh equation are more suitable for the correlations of solubility of TOPAP, and they have a smaller maximum relative average deviation. [ABSTRACT FROM AUTHOR]

A new model of the liquid/liquid equilibrium of butyric acid (BA) and water extraction from aqueous solutions to an organic solvent containing phosphonium ionic liquid and dodecane has been derived. It has seven fitting parameters and describes experimental data well. Reactive extraction with formation of the (p, 1) acid-IL complexes with p ≤ 11 acids on one hand and their aggregation by water bridges on the other hand refer to the dualistic character of the extraction process and the developed model. The values of two equilibrium constants characterizing the stability of hydrogen bonds between acid and IL anion are 3 and 2 orders of magnitude larger as compared with constants characterizing stability of acid-acid H-bonds. Water is extracted via two reactive mechanisms. The first is a competitive extraction of acid and water which results in the release of water from the solvent as the BA extraction proceeds. The second mechanism is coextraction of water with BA. At the acid loading of IL above 3, this mechanism dominates and the water loading increases linearly with the increasing acid loading. These mechanisms suggest that two types of water exist in the solvents with IL. Water associated directly to IL and hydration water associated with acid molecules in the complexes. [ABSTRACT FROM AUTHOR]

Commonly used solvents for separation of aromatics from aliphatics using liquid-liquid extraction are reviewed in terms of their physical properties and separation performance. The experimental liquid-liquid measurements for conventional solvents are contrasted with the phase behavior when using an ionic liquid as the extracting component. For comparison purposes, ternary systems of heptane + toluene + extraction solvent are used as representative mixtures, where sulfolane is the main organic extraction solvent discussed. Since ionic liquid properties are drastically changed by changing the anion, comparisons are performed for 1-ethyl-3-methylimidazolium based ionic liquids using different anions. Ionic liquids containing cyano-substituted and bis(trifluoromethylsulfonyl)imide anions provide good selectivities and distribution ratios. On the basis of the phase behavior and capacities, as well as their relatively low viscosities, they appear to be competitive alternatives to organic solvents. [ABSTRACT FROM AUTHOR]

An azo (N=N) based covalent organic framework (COF-TpAzo) has been synthesized via a Schiff base condensation reaction. The Braunauer-Emmett-Teller (BET) specific surface area up to 1552 m³·g-1 was obtained for the framework with a pore volume of 0.97 cm³·g-1. The COF-TpAzo exhibits a high selectivity in CO2/N2 (127/145 at 273/298 K, respectively, Henry method) due to the N2-phobic and CO2-philic feature of COF-TpAzo. Furthermore, hydrogen and methane storage capacities of the nitrogen-rich COF-TpAzo have been investigated. The COF-TpAzo shows high H2 and CH4 storage capacity at 1 bar (10.6 mg·g-1 at 77 K for H2, 11.2 mg·g-1 at 273 K for CH4, and 5.5 mg·g-1 at 298 K for CH4). [ABSTRACT FROM AUTHOR]

In this work, new set of experimental activity coefficients at infinite dilution, γ13∞ for 51 various organic solutes such as alkanes, 1-alkenes, 1-alkynes, cycloalkanes, aromatic hydrocarbons, alcohols, thiophene, ethers, ketones, acetonitrile, pyridine, 1-nitropropane, and water in tributylethylphosphonium diethylphosphate, [P2,4,4,4][DEP] have been measured in temperature range T = (328.15 to 368.15) K by gas-liquid chromatography, GLC. From experimental data the partial molar excess Gibbs free energies ΔG1E,∞, enthalpies ΔH1E,∞, and entropies TrefΔS1E,∞ at infinite dilution were calculated. Additionally the gas-liquid partition coefficients, KL were determined. Moreover, capabilities of the studied ionic liquid in several liquid-liquid extraction processes are evaluated by selectivity and capacity at infinite dilution. These parameters were compared to the values from the recent literature for other ionic liquids with phosphonium cation or diethylphosphate anion. Additionally, basic thermophysical characterization of pure [P2,4,4,4][DEP] including: glass transition temperature Tg,1 as well as the heat capacity at the glass-transition temperature ΔCp(g),1 were determined using differential scanning microcalorimetry technique, DSC. Moreover, ambient pressure liquid density of pure IL is determined in temperature range T = (298.15 to 368.15) K. [ABSTRACT FROM AUTHOR]

The binary solid-liquid phase equilibrium for 4-(methylsulfonyl)benzaldehyde in methanol, ethanol, 1-propanol, 2-propanol, 1-butanol, acetone, acetonitrile, toluene, and acetic acid were studied experimentally within the temperatures range from (283.15 to 318.15) K under 101.3 kPa by using a static equilibrium method. With the increase in temperature, the solubility of 4-(methylsulfonyl)benzaldehyde in these solvents increased. The solubility values from high to low obeyed the following order in different solvents: acetone > acetonitrile > acetic acid > methanol > ethanol > toluene > 1-butanol > 1-propanol > 2-propanol. The modified Apelblat equation, λh equation, Wilson model, and nonrandom two liquid model were employed to correlate the experimental solubility of 4-(methylsulfonyl)benzaldehyde in the nine solvents. The calculated solubility with the modified Apelblat equation provided better agreement than those with the other three models. Generally, the regressed results by the four thermodynamic models could be acceptable for 4-(methylsulfonyl)benzaldehyde in the studied solvents. The acquired solubility data could provide a theoretical basis for the purification of crude 4-(methylsulfonyl)benzaldehyde. [ABSTRACT FROM AUTHOR]

The solubilities of (+)-biotin intermediate lactone in methanol, toluene, tetrahydrofuran, dichloromethane, ethyl acetate, and N,N-dimethylformamide were determined at the investigated temperatures 287.15-323.75 K under pressure (p = 0.1 MPa) by a laser monitoring system. The solubilities of (+)-biotin intermediate lactone in pure solvents increase with increasing temperature and in the following order: methanol < toluene < ethyl acetate < tetrahydrofuran < dichloromethane < N,N-dimethylformamide. The solubilities were correlated by the equation for ideal solution model, modified Apelblat equation, λh equation, Wilson model, and NRTL equation. The calculated values are in good agreement with the measured experimental data. The modified Apelblat equation was found to provide further accurate representation of the experimental data in six organic solvents. [ABSTRACT FROM AUTHOR]

Solubilities of CO2 have been measured in five low volatile organic solvents at temperatures ranging from 293.15 to 323.15 K with 10K intervals under a pressure of 0 to 600.0 kPa using an isochoric saturation method. These organic solvents were selected from γ-butyrolactone (GBL), butyl lactate (BL), 1,1,3,3-tetramethylurea (TMU), 1,3-dimethyl-2-imidazolidinone (DMI), and 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone (DMPU). Henry's constants and thermodynamic properties such as Gibbs free energy, enthalpy, and entropy of dissolution were derived from the corresponding solubility data. The gravimetric solubilities of CO2 in these solvents followed the sequence of TMU < DMI ≈ BL ≈ GBL < DMPU. The enthalpies of dissolution were all exothermal at each condition. Henry's constants of CO2 in these solvents were further compared with those in ionic liquids and other ordinary absorbents, and it was found that they were similar to that of CO2 in polyethylene glycol dimethyl ether (NHD), which is widely used in the present industry. [ABSTRACT FROM AUTHOR]

The solid-liquid solubility of the title compound has been measured by a gravimetric method in five pure organic solvents over the temperature range (283 to 323) K. The melting temperature and associated enthalpy of fusion have been determined by differential scanning calorimetry (DSC), and the heat capacity of the solid and the melt have been determined over a range of temperatures by means of temperature-modulated DSC. Melting data and the extrapolated difference in heat capacity between the melt and the solid have been used to calculate the Gibbs energy, enthalpy, and entropy of fusion and the ideal solubility from below ambient temperature to the melting point. On the basis of estimated activity coefficients at equilibrium, solutions in all the five solvents are shown to exhibit positive deviation from Raoult's law. The highest mole fraction solubility is observed in methanol, and all van't Hoff solubility curves are nonlinear. Solubility data is well correlated by a recently proposed semiempirical regression model. [ABSTRACT FROM AUTHOR]

Acetate and acrylate are compounds with weak polarity which show a nonideal behavior. Phase equilibria of these systems play a significant role as organic solvents in industrial processes. In this work, the solubility behavior for the (CO2 + methyl methoxyacetate) and (CO2 + methyl trans-3-methoxyacrylate) mixtures at pressures from (5 to 20) MPa and various temperatures (313.2, 333.2, 353.2, 373.2, and 393.2 K) are measured in the static method with a variable-volume high pressure view cell. The experimental results obtained in this research are correlated with Peng-Robinson equation of state and van der Waals one-fluid mixing rule containing two adjustable interaction parameters. The critical constants for the Peng-Robinson equation of state were estimated using the group contributions method. The Lee-Kesler method was used to predict the acentric factor. [ABSTRACT FROM AUTHOR]

The solubility of 4,4′-dihydroxydiphenyl sulfone in acetonitrile, methanol, ethanol, n-propanol, isopropyl alcohol, acetone, 1-butanol, 2-methyl-1-propanol and ethyl acetate were determined at temperatures from (278.15 to 313.15) K under 101.3 kPa by using a gravimetric method. With the increase in temperature, the solubility of 4,4′-dihydroxydiphenyl sulfone in these solvents increased. The solubility values decreased according to the following order: acetone > acetonitrile > ethyl acetate >1-butanol > (methanol, ethanol, n-propanol, 2-methyl-1-propanol) > isopropyl alcohol. The obtained solubility data were correlated with three models, which corresponded to the modified Apelblat equation, λh equation, and Van't Hoff equation. The evaluated solubility values by the modified Apelblat equation agreed very well with those calculated by the other two models. In general, the regressed results with the three models were all within the acceptable limit for the solubility of 4,4′-dihydroxydiphenyl sulfone in the selected solvents. Furthermore, the standard dissolution enthalpies per 1 mol of mixtures of 4,4′-dihydroxydiphenyl sulfone and solvent were evaluated in terms of the modified Apelblat equation. The dissolution process of 4,4′-dihydroxydiphenyl sulfone in these solvents was endothermic. The study concerning the solubility of 4,4′-dihydroxydiphenyl sulfone in the selected solvents and thermodynamic property of dissolution could provide fundamental data in the manufacturing and separating process of 4,4′-dihydroxydiphenyl sulfone. [ABSTRACT FROM AUTHOR]

The solubility of 1,3,5-trichlorobenzene in n-propanol, isopropyl alcohol, n-butanol, isobutyl alcohol, cyclohexane, toluene, ethyl acetate, and acetone were obtained experimentally in temperatures ranging from (273.15/280.65 to 308.15) K under a pressure of 0.1 MPa with a chromatographic method. The solubility data of 1,3,5-trichlorobenzene in those selected organic solvents increased with increasing temperature. The order of the solubility data values is as follows: toluene > cyclohexane > ethyl acetate > (n-butanol, acetone) > isobutyl alcohol > n-propanol > isopropyl alcohol. The obtained solubility data of 1,3,5-trichlorobenzene in the studied solvents were correlated by using modified Apelblat equation, λh equation, Wilson model, and NRTL model. The four models all provide acceptable results for the system of 1,3,5-trichlorobenzene in the selected solvents. Furthermore, the thermodynamic properties of solution, including molar dissolution enthalpy (ΔsolH0) and the excess enthalpy for 1,3,5-trichlorobenzene in eight pure solvents, were obtained. [ABSTRACT FROM AUTHOR]

The solubilities of the sodium 2-chlorotoluene-4-sulfonate (CTSNa) in water, methanol, formic acid, dimethyl sulfoxide (DMSO), N,N-dimethylformamide (DMF), binary (methanol + water) mixed solvents, and binary (ethanol + water) mixed solvents were determined experimentally over the temperature range from (280 to 335) K at atmospheric pressure using a dynamic method. The mole fraction of water in the two solvent mixtures ranged from 0.0000 to 1.0000 and 0.2006 to 1.0000, respectively. A synergistic effect on CTSNa solubility was observed with the maximum solubility at solute-free mole fraction of ethanol x20 = 0.2082 and solute-free mole fraction of methanol x30 = 0.3985, respectively. The solubility data were correlated with the thermodynamic electrolyte nonrandom two-liquid (E-NRTL) model and the root-mean-square deviations of solubility temperature varied from (0.24 to 1.10) K. [ABSTRACT FROM AUTHOR]

The experimental solubility data of 2,6-dihydroxybenzoic acid in neat organic solvents and binary aqueous solvent systems at temperature range from (278.15 to 318.15) K have carefully been reanalyzed and some recommendations were proposed. In addition, a combined form of the Jouyban-Acree-van't Hoff model and the Abraham solvation parameters was used to predict the solubility of 2,6-dihydroxybenzoic acid in the binary solvent mixtures at various temperatures. [ABSTRACT FROM AUTHOR]

Using a static analytical method,the solubilities of phosphonicacid, P,P′-(1,4-piperazinediyl)bis-P,P,P′,P′-tetraphenyl ester (PAPBE), N,N′-[1,3-phenylenebis(methylene)]bis(phosphoramidicacid)P,P,P′,P′-tetraphenyl ester (PNBE), and 4-(hydroxymethyl)-1-oxido-2,6,7-trioxa-1-phosphabicyclo[2.2.2] octane (PEPA) were measured from 293.15 K to 343.15 K in fourselected organic solvents. Several thermodynamic models were usedto correlate the experimental solubility data, such as Scatchard–Hildebrand,Wilson, nonrandom two-liquid (NRTL), and UNIQUAC. The calculated resultsshowed that all the models reproduced the experimental data very well,and the UNIQUAC equation gives the best correlation. Using the groupcontribution methods, the solubility parameters of phosphorus flameretardants can be calculated, which were compared with the previousvalues calculated with the Scatchard–Hildebrand model. [ABSTRACT FROM AUTHOR]

Solubilities of 2,4-dihydroxybenzophenonehave been measured at298 K in 19 organic solvents. Combination with a known value of thesolubility in water enables corresponding partition coefficients fromwater to these solvents to be deduced. It is shown that solubilities,via the partition coefficients, can yield the Abraham descriptorsfor 2,4-dihydroxybenzophenone, and that these, in turn, can be usedto estimate a very large number of further solubilities, partitioncoefficients, and values of biological and environmental properties.This method of extracting information from solubilities is furtherillustrated using literature data on solubilities of biotin and ofcaprolactam. [ABSTRACT FROM AUTHOR]

Crash cooling crystallization ofdifferent anthracene (ANT) andphenanthrene (PHE) mixtures in toluene, xylene, and N,N-dimethylformamide (DMF) was investigated. Thecrystals obtained were identified by powder X-ray diffraction, differentialscanning calorimetry, and high-performance liquid chromatography.To verify the formation of different solid solutions, ternary phasediagrams of ANT and PHE in toluene, xylene, and DMF at 308.15 K and0.1 MPa were determined through experiments. Two solid solutions,α and β, respectively, formed at PHE-rich and ANT-richends but coexisted in the middle section of the composition. The effectof solvent and separation process optimization of ANT and PHE werefurther investigated based on the ternary phase diagrams. [ABSTRACT FROM AUTHOR]

The mole fraction solubilities of 1,3,2-dioxaphosphorinane-2-methanol-α,5,5-trimethyl-α-phenyl-2-oxide in different organic solvents including acetonitrile, acetone, ethyl acetate, 1,2-dichloroethane, methanol, ethanol, and chloroform were measured at a designated temperature range of (278.15 to 343.15) K and at atmospheric pressure by the gravimetrical method. The compound's structure and thermal stability were characterized by infrared spectroscopy, nuclear magnetic resonance (¹H NMR and31P NMR), mass spectroscopy, elemental analysis, and thermogravimetric analysis. The mole fraction solubilities of 1,3,2-dioxaphosphorinane-2-methanol-α,5,5-trimethyl-α-phenyl-2-oxide in the above-mentioned organic solvents were correlated as the Apelblat equation, and the calculated values with equations showed good consistency with the experimental values. The root-mean-square deviation was less than 0.010% and the average relative error was less than 0.11% in all the experiments. [ABSTRACT FROM AUTHOR]

Using a thermostated reactor and UV/vis spectrophotometer analysis, the solubility of protocatechuic acid (PA) in ethanol, methanol, methyl acetate, and ethyl acetate was measured from (293.15 to 318.15) K at atmospheric pressure. The effect of solvent type and temperature on the solubility are discussed. The relative solubility of protocatechuic acid in different solvents was determined in descending order to be xmethanol > xethanol > xmethyl > xethyl. The experimental solubility data of the solutes (PA) in four pure solvents was correlated with the modified Apelblat equation and semiempirical Buchowski-Ksiazczak h equation. Dissolution standard molar enthalpy ΔsolH° (kJ·mol-1), Gibbs energy ΔsolG° (kJ·mol-1), and entropy ΔsolS° (J·mol-1·K-1) of protocatechuic acid were estimated using the solubility data: [ABSTRACT FROM AUTHOR]

Thesolid–liquid equilibria of 4-amino-3,6-dichloropyridazine(ADCP) in seven pure organic solvents including methanol, acetone,ethanol, dichloromethane, ethyl acetate, 1,4-dioxane, and tetrahydrofuranwere determined with the synthetic method from (278.15 to 333.15)K at atmospheric pressure using a laser monitoring observation technique.The measured solubility data increased with the rise of temperature.These solubility data were correlated with two models: the modifiedApelblat and λh(Buchowski) equation. The relativedeviation of the modified Apelblat equation was no more than 2.1 %,while that of λhequation was less than 4.5%. Better correlation results were obtained in most solvents withmodified Apelblat equation. Furthermore, using van’t Hoff plot,the calculation was performed to obtain the apparent dissolution enthalpyand entropy of the solution of ADCP in these solvents, based on whichthe apparent dissolution Gibbs free energy change was deduced. [ABSTRACT FROM AUTHOR]

Dataon corresponding solid–liquid equilibria of sulfanilicacid in different organic solvents are essential for industrial designand further theoretical studies. In this study, the solubilities ofsulfanilic acid were measured in methanol, ethanol, 2-propanol, acetone,acetonitrile, formic acid, and acetic acid with the temperature rangeof (278.15 to 328.15) K by the analytical stirred-flask method underatmospheric pressure. For the temperature range investigated, thesolubility of sulfanilic acid in the solvents increased with increasingtemperature. The thermodynamic models, such as the van’t Hoffmodel, the modified Apelblat model, and the Buchowski–Ksiazaczakλhmodel were investigated to describe theexperimental data. It was found that the modified Apelblat model wasthe most suitable for predicting the solubility behavior of sulfanilicacid with increasing temperature. The calculated thermodynamic parametersindicated that in each studied solvent the dissolution process ofsulfanilic acid is endothermic. [ABSTRACT FROM AUTHOR]

Inthe present work, the free energy solvation of H+, ΔGsolH+, is estimated in various importantnonaqueous solvents including alcohols and polar aprotic solvents,semiempirically. The selected solvents are methanol, ethanol, 2-propanol,2-methyl-2-propanol, dimethyl sulfoxide, dimethylformamide, and acetonitrile. The value of ΔGsolH+in 2-propanol and 2-methyl-2-propanolwere reported for the first time. The estimated values of ΔGsolH+were used to predict the acidity constants (pKa) of different compounds in the selected solvents.These pKavalues had better agreementwith the experimental values than the corresponding values obtainedusing the other ΔGsolH+reported in literature.This confirmed that the values of ΔGsolH+,predicted in this work, are reasonable. The calculated pKavalues of selected compounds in nonaqueous solventswere further corrected by accounting for the error of the appliedcomputational method for predicting the pKavalues of the compounds in water. New correlation equations wereproposed and used to estimate the pKavaluesof carboxylic acids (aliphatic and aromatic derivatives), phenol derivatives,a series of active pharmaceutical ingredients, and some anti-inflammatoryagents in the considered solvents when their experimental pKavalues are known in water. The calculationspresented in this work were performed at four different levels oftheory including B3LYP, M062X, MP2, and CCSD using 6-311++G(d,p) basisset, separately. [ABSTRACT FROM AUTHOR]

Thepresent work describes the synthesis, characterization, andsolubility studies of some biologically active pyrimidine derivatives.The characterization of these synthesized compounds was done by mass,IR, and 1H NMR spectral techniques. Further, the solubilityof these compounds has been studied in methanol, N,N-dimethylformamide (DMF), and carbon tetrachloride(CCl4) by gravimetrical method from (298.15 to 328.15)K under atmospheric pressure, and the solubility data were correlatedagainst temperature. The solubility is found to increase with temperatureand order of solubility is found to be DMF > methanol > CCl4. The modified Apelblat and Buchowski–Ksiazczak λhequations were used to correlate the experimental solubilitydata. Further, some thermodynamic parameters such as dissolution enthalpy(ΔHsol), Gibb’s free energy(ΔGsol), and entropy (ΔSsol) of mixing have also been calculated. Thepositive values of enthalpy and Gibbs energy of solution suggest thatthe dissolution process to be endothermic and is spontaneous. [ABSTRACT FROM AUTHOR]

Deepeutectic solvents (DESs) have been regarded as one of themost promising environmentally benign and cost-effective alternativesto conventional ionic liquids and volatile organic solvents. Aqueousmixtures of DESs have the potential to afford modified propertiesfor specific applications. Densities and dynamic viscosities of acommon and popular DES composed of choline chloride and urea in 1:2molar ratio, named reline, and its aqueous mixtures in the temperaturerange 293.15 K to 363.15 K are reported. A decrease in density withincreasing temperature is found to follow a quadratic expression.Excess molar volumes of the aqueous mixtures of reline are found tobe negative at all temperatures and compositions. The absolute excessmolar volume is found to decrease, in general, as the temperatureis increased from 293.15 K to 323.15 K. For temperatures above 323.15K, the excess molar volume does not change much with further increasein temperature to 363.15 K. The temperature dependence of dynamicviscosity of aqueous mixtures of reline in the temperature range 293.15K to 363.15 K at all compositions is found to be better describedby a Vogel–Fulcher–Tamman (VFT) model as opposed toan Arrhenius expression. Excess logarithmic viscosities for aqueousmixtures of reline are found to be negative at most temperatures andcompositions; however, they become positive at 353.15 K and 363.15K. The excess logarithmic viscosities of aqueous reline mixtures arein stark contrast to that reported for aqueous mixtures of DES glyceline,composed of choline chloride and glycerol in the same mole ratio,where the excess logarithmic viscosities are positive. Facile interstitialaccommodation of water within H-bonded reline network as opposed toformation of extensive H-bonding is proposed to be the reason forthis experimental observation. The important role of the H-bond donoras a constituent of DES is amply highlighted as it controls the interactionspresent in a DES and its aqueous mixtures. [ABSTRACT FROM AUTHOR]

Theenthalpies of solution (ΔsolHm) of β-alanine in aqueous solutionsof acetonitrile (AN), 1,4-dioxane (1,4-DO), acetone (AC), formamide(FA), N-methylformamide (MFA), N,N-dimethylformamide (DMFA), N,N-dimethylacetamide (DMA), and dimethyl sulfoxide (DMSO)have been determined by calorimetric method as a function of organicsolvent concentration at 298.15 K. Enthalpies of transfer (ΔtrH°) of β-alanine from water toaqueous organic mixtures as well as the enthalpy coefficients of pairwiseinteraction (hxy) werecalculated from these data. The interrelation between enthalpy characteristicsof β-alanine dissolution (transfer) and the composition of water–organicsolvent binary mixtures has been ascertained. By means of a modifiedKamlet–Taft equation the contributions of different physicochemicalproperties of organic cosolvents to the energy of β-alanine–cosolventintermolecular interactions have been estimated quantitatively. [ABSTRACT FROM AUTHOR]

Thesolvent mixtures made up of ionic liquid and molecular solventshave potential applications in various fields such as chemical analysisand synthesis. Thus, in the present study, the role of the solventmicrosphere in changing the behavior of the solvatochromic absorbanceprobe within binary solvent mixtures of ionic liquids with commonmolecular organic solvents is explored. Further, the behavior of theprobes is explained with the help of solute–solvent and solvent–solventinteractions present in the mixtures. The binary mixtures of the ionicliquid 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide,[bmim][Tf2N], with molecular solvents, polar protic (methanol,1-butanol) and polar aprotic (dimethyl sulfoxide, and N,N-dimethylformamide), have been selected for thisinvestigation. The effect of the addition of molecular solvents toionic liquid’s polarity parameters, ETN, and Kamlet Taft parameters, the hydrogen bond donorability (HBD) (α), hydrogen bond acceptor ability (HBA) (β),and dipolarity/polarizability (π*), is investigated. The polarityparameters, ETN, and dipolarity/polarizability(π*) of the mixtures indicate the “hyperpolarity”behavior on addition of molecular solvents to ionic liquid. The preferentialsolvation model has been used to provide insight on the solvent–solventand/or solute–solvent interactions in the solvent mixtures. [ABSTRACT FROM AUTHOR]

Thetemperature-induced phase behavior of a ternary system consistingof two fluorinated solvents and an organic solvent was studied. Thesolubility data and liquid–liquid equilibrium data for thefollowing ternary systems were examined: (FC3283 + HFE7300 + hexane)at 273.15 K and 298.15 K, (FC3283 + HFE7500 + octane) at 298.15 Kand 313.15 K, (FC72 + HFE7100 + acetonitrile) at 273.15 K and 298.15K, and (FC72 + HFE7100 + ethyl acetate) at 273.15 K and 298.15 K.In addition, the experimental tie line data for eight ternary systemswere correlated using the NRTL and UNIQUAC models, and the correspondingbinary interaction parameters were determined. [ABSTRACT FROM AUTHOR]

Thesolubility of 3,4-dichloronitrobenzene and 2,3-dichloronitrobenzenein ethyl acetate, tetrachloromethane, cyclohexane, hexane, heptane,1-propanol, 2-propanol, and 1-butanol were measured experimentallyunder temperatures of (278.15 to 303.15) K by employing the gravimetricmethod. The solubility of 3,4-dichloronitrobenzene or 2,3-dichloronitrobenzenein all organic solvents studied increases with increasing in temperature.Four models, the modified Apelblat equation, λhequation, Wilson model, and nonrandom two-liquid (NRTL) model, wereemployed to correlate the measured solubility. Results indicated thatthe modified Apelblat equation was the better model than the othermodels. The solubility data would be very useful for optimizing thepurification process of 3,4-dichloronitrobenzene and 2,3-dichloronitrobenzeneon the industrial scale. [ABSTRACT FROM AUTHOR]

Solubilitiesof SO2in five selected inexpensive organicsolvents with low volatility were measured at temperatures from 303.2K to 333.2 K and pressures up to 120 kPa. The solvents include sulfolane(SUF), ethylene glycol (EG), propylene carbonate (PC), N-methylimidazole (NMI) and N-methylpyrrolidone (NMP).The obtained results indicated that the solubilities of SO2in the five organic solvents followed the sequence NMI > NMP> SUF> PC > EG. The absorption isotherms of SO2in SUF,EG,and PC showed ideal profiles, while those in NMI and NMP showed nonidealtypes. The Henry’s law constants of SO2in SUF,EG, and PC in terms of molality were calculated by drawing linearfit between SO2solubilities and SO2partialpressures. The interactions of SO2with NMI and NMP wereexamined through density functional theory (DFT) calculations, andthe solvent–solute complex formations were illustrated. Theexperimental solubilities of SO2in NMI and NMP were successfullycorrelated by a reaction equilibrium thermodynamic model (RETM) proposedbased on the DFT calculations. Subsequently, Henry’s law constants,reaction equilibrium constants, and heat of complex formation werealso calculated to evaluate the potential of applying these organicsolvents in SO2absorption. The performance of SO2absorption in these organic solvents were further compared withthat in ILs and results illustrated that NMI and NMP were good alternativesto IL for applying in SO2absorption. [ABSTRACT FROM AUTHOR]

Differentclasses of solvents provide different polarity values, which influencethe solubility of pharmaceutical solids. In this article, the solubilityof mefenamic acid in different classes of organic solvents, includingpolar protic, dipolar aprotic, and apolar aprotics at a range of temperaturesfrom (298 to 323) K are reported. It has been found that mefenamicacid shows high solubility in dipolar aprotic solvents (N,N-dimethylacetamide, N,N-dimethylformamide, ethyl acetate, and propanone), moderatesolubility in polar protic solvents (ethanol and propan-2-ol),and poor solubility in apolar aprotic solvents (hexane, heptane, andcyclohexane) and water. [ABSTRACT FROM AUTHOR]

In this paper, the liquid–liquid–solidtriple-phasedata of some aqueous two-phase systems (ATPSs) containing hydrophilicorganic solvents (HOS) and simple salts were explored. The systemsstudied comprise aqueous solutions containing ethanol, 1-propanol,2-propanol, or acetone with (NH4)2SO4and solutions containing 1-propanol with (NH4)2SO4, NaCl, or KCl. The Gibbs phase rule predicts thatthere is a linear relationship existing at such a triple-phase boundary.The linear liquid–liquid–solid boundaries were determined,and the effects of temperature, solvent, and salt on the boundarywere investigated. The tie line length (TLL) of the systems distributedon the triple-phase boundary was invariant. Phase equilibrium experimentsdetermined that the average TLL of ethanol–(NH4)2SO4ATPSs at 298.15 K was 62.93 % with a standarddeviation of 2.13 %. The linear liquid–liquid–solidtriple-phase boundary was used to elucidate the two-phase region anddetermine the content of organic solvent or salt in an unknown sample.These results increase our understanding of HOS–salt–wateraqueous two phase system (ATPS) and will be useful for those lookingto develop new systems for separation science. [ABSTRACT FROM AUTHOR]

Thesolubility of sodium 2,4-diaminobenzenesulfonate in binaryNaCl + H2O, Na2SO4+ H2O, and C2H5OH + H2O solvent mixtureswere measured at elevated temperatures from 273.15 K to 323.15 K bya steady-state method. The results of these data were correlated bya modified Apelblat equation. [ABSTRACT FROM AUTHOR]

Fructose(1,3,4,5,6-pentahydroxyhex-2-one) is an important sugar,of great industrial interest, and may be produced by crystallizationfrom its aqueous solution by adding ethanol as antisolvent. Publisheddata of fructose solubility in mixed (ethanol + water) solvent arescarce in literature, but these data are essential for crystallizationstudies. In this work, fructose solubility in different ethanol concentrationswas determined in temperatures from (283.15 to 333.15) K. A groupof activity coefficient models developed in literature to determinephase diagrams of sugars were then selected and evaluated to predictfructose solubility in water and (ethanol + water) solvent. The followingmodels were tested: a modified UNIQUAC, Bio-UNIFAC, A-UNIFAC, andmS-UNIFAC. Bio-UNIFAC was the best model to predict fructose solubilityin water and in solutions with ethanol mass fractions in solvent upto 0.4; mS-UNIFAC was the best model for 0.4 to 0.6, and over thisethanol concentration the modified UNIQUAC was the best one. The meandeviation of the best model for pure water as solvent was 0.43 %,and for mixed solvent the mean deviation of the best model of eachcomposition was always lower than 4 %. [ABSTRACT FROM AUTHOR]

A fluorousbiphasic system consists of a fluorinated solvent andan organic solvent. The mutual solubility data of fluorous biphasicsystems were analyzed for common organic solvents such as benzene,toluene, and xylene with perfluamine. Fluorous/organic amphiphilicether solvents such as HFE7300 and HFE7500 were added to the fluorousbiphasic system. The equilibrium tie lines for ternary systems weredetermined at two different temperatures, and the equilibrium datasets were correlated with the nonrandom two-liquid and universal quasichemicalmodels. [ABSTRACT FROM AUTHOR]

Thesolubilities of 4-bromo-1,8-naphthalic anhydride in organicsolvents of acetone, methanol, ethanol, and acetic acid and in thebinary mixtures of acetone and ethanol were determined over the temperaturerange of (278.15 to 333.15) K by using the analytical stirred-flaskmethod. The solubilitiesof 4-bromo-1,8-naphthalic anhydride in these solvents increased withthe increasing temperature. The experimental results showed that 4-bromo-1,8-naphthalicanhydride presents a higher solubility in acetone and the solubilityin acetone had the strongest positive temperature dependency. Themodified Apelblat equation, the combined nearly ideal binary solvent/Redlich–Kister(CNIBS/R–K) equation,and the modified Jouyban–Acree model were proposed for correlatingthe experimental data. The values for the apparent molar enthalpyand entropy were calculated by using the van’t Hoff equation.The experiment results and correlation models could be useful in thereaction and purification process of 4-bromo-1,8-naphthalic anhydride. [ABSTRACT FROM AUTHOR]