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The Comment on "Determination and Correlation of Dipyridamole p-Toluene Sulfonate Solubility in Seven Alcohol Solvents and Three Binary Solvents" is appreciated. According to the comments, we make a deep analysis and discussion of our article again. The reason for large deviations between the back-calculated value presented in our paper and the back-calculated value calculated by Acree is that we mixed up the coefficients calculated by two programs and the wrong Apelblat equation coefficients were submitted in our paper instead of the corrected ones. Therefore, the model parameters of the Apelblat equation and the calculated mole fraction solubilities of dipyridamole p-toluene sulfonate in all solvents at the temperature ranging from 288.15 to 328.15 K were recalculated by the corrected program and show satisfactory correlation results with the experimental values. [ABSTRACT FROM AUTHOR]

The solubilities of 3-nitrobenzonitrile in solvent mixtures of ethyl acetate (1) + methanol (ethanol, n-propanol or isopropyl alcohol) (2) determined over the temperature range from 278.15 to 318.15 K under atmospheric pressure (101.1 kPa) with the isothermal dissolution equilibrium method were reported. They increased with a rise of temperature and mass fraction of ethyl acetate, and the largest solubility value was observed in neat ethyl acetate for all the binary mixtures investigated. The temperature and solvent composition dependence of 3-nitrobenzonitrile solubility was analyzed through the Jouyban-Acree, van't Hoff-Jouyban-Acree, and Apelblat-Jouyban-Acree models acquiring average relative deviations lower than 1.57% and root-mean-square deviation lower than 11.52 x 10-4 for correlative investigations. In addition, the preferential solvation parameters (δx1,3) of 3-nitrobenzonitrile by ethyl acetate were determined from experimental solubility values by using the inverse Kirkwood-Buff integrals. It was found that alcohol preferentially solvated 3-nitrobenzonitrile in alcohol-rich mixtures while ethyl acetate forms local solvation shells in compositions from intermediate composition up to neat ethyl acetate. The former case was possibly due to the ordered structure of alcohol molecules around the apolar group of 3-nitrobenzonitrile, which was formed via hydrophobic hydration in alcohol-rich solutions. [ABSTRACT FROM AUTHOR]

A large amount of sulfuryl fluoride (SO2F2) is released into the atmosphere after fumigation, intensifying the greenhouse effect. Therefore, it is important to remove SO2F2 generated in fumigation. In this study, the solubilities of SO2F2 in 2-butoxyethyl acetate (BOEA), 3-methoxybutyl acetate (MOBA), 2-methoxyethyl acetate (MOEA), 1-methoxy-2-propyl acetate (MOPA), and 2-(2-ethoxyethoxy)ethyl acetate (DEOEA) were determined at T = (293.15 to 323.15) K and pressures up to about 600 kPa using the isochoric saturation method. Results showed that SO2F2 solubility in the five acetate derivatives increased with increasing pressure and decreased with increasing temperature. The dissolution of SO2F2 in these solvents belonged to a physical process. Furthermore, the Henry's law constants and thermodynamic properties including standard Gibbs free energy, enthalpy, and entropy changes of SO2F2 dissolution were further obtained. Compared with water, these five selected acetate derivatives showed potential application for SO2F2 removal. Moreover, the solubilities of SO2F2 in these solvents followed the order of MOBA > MOPA > BOEA > DEOEA > MOEA. [ABSTRACT FROM AUTHOR]

The thiamphenicol solubility in aqueous cosolvent solutions of ethanol (1), methanol (1), 1,4-dioxane (1), and N,N-dimethylformamide (DMF, 1) was measured via the isothermal dissolution equilibrium method at temperatures ranging from 278.15 to 318.15 K under local pressure (101.1 kPa). At fixed composition of ethanol (methanol, 1,4-dioxane, or DMF) and temperature, the solubility of thiamphenicol was larger in DMF + water mixtures than in the ethanol/methanol/1,4-dioxane mixtures. The local solvent proportions were acquired with the method of inverse Kirkwood-Buff integrals. The absolute value of these preferential solvation parameters were all lower than 1.0 x 10-2 for ethanol (1) + water (2) and 1,4-dioxane (1) + water (2) solutions in water-rich compositions and for methanol (1) + water (2) solutions in whole compositions. In the former two cosolvent mixtures in intermediate compositions and cosolvent-rich regions, thiamphenicol was preferentially solvated by cosolvent. However, for the DMF (1) + water (2) solutions, water solvated preferentially thiamphenicol in water-rich compositions and by DMF in intermediate and DMF-rich compositions. This case by cosolvent might be illustrated based on higher basic behavior of water, which interacted with Lewis acidic groups of thiamphenicol. In addition, the solubility of thiamphenicol was described with the van't Hoff-Jouyban-Acree, Jouyban-Acree, and Apelblat-Jouyban-Acree models. The obtained average relative deviations were no greater than 1.85%. Furthermore, the solvent effect treatment through the KAT-LSER model indicated that the solubility variation was significantly affected by the cavity term. [ABSTRACT FROM AUTHOR]

In this study, the solubility of 4-(4-aminophenoxy)-N-methylpyridine-2-carboxamide (APMC) in pure tetrahydrofuran, ethyl acetate, acetonitrile, n-butanol, n-propanol, ethanol, methanol, and three binary solvent mixtures (ethyl acetate + methanol, ethyl acetate + ethanol, and ethyl acetate + n-butanol) was first experimentally determined within the temperature range from (278.15 to 328.15) K under atmosphere pressure by the gravimetric method. The results reveal that the solubility of APMC increases with an increase in temperature in all of the solvents selected. The modified Apelblat equation and the Buchowski-Ksiazaczak Λh equation were used to correlate the experimental solubility in pure solvents while the modified Apelblat equation, the CNIBS/R-K model, and the Jouyban-Acree model were applied to correlate the solubility in binary solvent mixtures. All of the models could be well applied, and the modified Apelblat equation stood out to be more suitable with a higher accuracy compared to that of the other three models. [ABSTRACT FROM AUTHOR]

New experimental data for CO2 solubility in the aqueous solutions of N-methyldiethanolamine (MDEA) and 1-butylpyridinium tetrafluoroborate ([Bpy][BF4]) ionic liquid (IL) are reported. The experiments were conducted in a static high pressure equilibrium cell. Solubility measurement of CO2 was performed in various solution compositions of IL and MDEA in a wide temperature range of 298.15-343.15 K and pressures up to 4 MPa. The experimental results revealed that, by increasing the weight percent of IL, the absorption capacity of aqueous mixtures diminishes. It was also observed that the main capacity of CO2 loading in the absorbent solutions belonged to MDEA through chemical absorption, whereas its concentration was more effective than IL in gas solubility. The experimental results are correlated using a semiempirical model with good accuracy. [ABSTRACT FROM AUTHOR]

The solubilities of acetylene in 1,4-butylene glycol, diethylene glycol, linalool, ethylene glycol, isopropanol, isobutanol, butyl alcohol, 1-methyl-2-pyrrolidinone, 2-pyrrolidinone, N-vinylpyrrolidone, 6-methyl-5-hepten-2-one, and geranyl acetone were studied in the temperature range of 278.15 to 318.15 K and in the pressure range of 0.03 to 0.25 MPa. The Henry's law constants were calculated from the slope of the linear isotherms of pressure versus the mole fraction of acetylene. Thermodynamic properties such as the Gibbs free energy, enthalpy, and entropy changes of dissolution of acetylene in the alcohols and ketones were calculated. [ABSTRACT FROM AUTHOR]

The solubility data of CO2 in four azole-based deep eutectic solvents (DESs), prepared from azoles (imidazole, Im; 1,2,4-triazole,Tri) and acetylcholine chloride (ACC), were reported at temperatures of 303.15, 313.15, 323.15, and 333.15 K under a pressure range of (20.0- 600.0) kPa using the isochoric saturation method. Henry's constants and thermodynamic properties of standard Gibbs free energy, enthalpy, and entropy changes of CO2 dissolution were derived by correlating the data. Results demonstrated that ACC-Im DESs (Hm = 1.91-4.46 MPa⋅kg⋅mol-1) possess higher capacities of CO2 than CC-Tri ones (Hm = 2.66- 4.58 MPa⋅kg⋅mol-1). The CO2 solubility increased with rising pressure, mole ratio of Im to ACC, and decreasing temperature. All the obtained enthalpies of solution were negative. Furthermore, the comparison of dissolution capacities between present DESs and other DESs as well as some ionic liquids in the literature was conducted. [ABSTRACT FROM AUTHOR]

The solubility of terephthaldialdehyde in N-methyl-2-pyrrolidone (NMP) at temperatures ranging from T = 293.15 to 318.15 K and the mutual solubility for ternary systems of terephthalic acid + terephthaldialdehyde + N,N-dimethylformamide (DMF) and terephthalic acid + terephthaldialdehyde + NMP at T = 298.15, 308.15, and 318.15 K were measured with the technique of isothermal saturation under 101.2 kPa. Six phase diagrams were built on the basis of the determined solubility. There were two solids formed in each ternary system, which were terephthalic acid and terephthaldialdehyde. Each diagram consisted of one cosaturated point, three crystalline areas, and two cosaturated curves. Furthermore, the nonrandom two-liquid mode and Wilson model were used in correlating and calculating the solubility of terephthaldialdehyde in NMP and the mutual solubility data for terephthalic acid + terephthaldialdehyde + DMF/NMP systems. The maximum root-mean-square deviation was 3.58 x 10-3, and maximum value of relative average deviation was 1.74%. The liquid-solid phase diagram and the thermodynamic analysis could provide the basis for obtaining terephthalic acid with high purity. [ABSTRACT FROM AUTHOR]

Solid-liquid phase equilibrium and physical properties of KH2PO4 in the mixture solution at 298.15 and 313.15 K were determined by an isothermal solution saturation method and moist residues. According to the experimental data, the solubility curves and physical parameter (µ, ρ) curves of KH2PO4-KCl-H3PO4-H2O systems were plotted. In a mixture solution of KCl and H3PO4, the solubility of KH2PO4 increased with the increasing concentration of H3PO4 and decreased with the increaing solubility of KCl because of the same ion effect. For the system of KH2PO4-KCl-C2H5OH-H2O at 298.15K, corresponding phase diagrams and diagrams of physical properties were plotted on the basis of the experimental data, and the initial mass fraction of ethanol was 10%, 30%, and 50% in the salt-free binary solvent water + ethanol. In the phase diagrams, there are one invariant point, two univariant curves, and two crystallization regions corresponding to KCl and KH2PO4. In addition, the crystallization region of KH2PO4 is larger than that of KCl, and the two crystallization regions become smaller as the mass fraction of water + ethanol mixture solvent increased. The physical properties of the system KH2PO4-KCl-C2H5OH-H2O changed regularly with the concentration change of the liquid phase. The equilibrium solids were verified by X-ray diffraction. The measured data and physical property diagrams for the investigated systems can provide the fundamental basis for the industrial production of KH2PO4 by the solvent extraction method. [ABSTRACT FROM AUTHOR]

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]

The solid-liquid equilibrium of benzoic acid has been determined in six monosolvents--tributyl phosphate, diacetone alcohol, methyl-n-propyl ketone, methyl acetate, amyl acetate, and isooctane--at temperatures from 283.15 to 328.15 K and five binary systems--ethanol + hexane (288.15-328.15 K), isopropyl alcohol + hexane and chloroform + hexane (288.15-323.15 K), acetone + hexane (288.15-318.15 K), and acetone + water (288.15-318.15 K)--at atmospheric pressure with varying mole fraction of the binary mixture. The solubility was estimated by three different methods--titrimetry, gravimetry, and high-pressure liquid chromatography methods. The solubility of benzoic acid was found to increase with an increase in temperature and mole fraction. Experimental solubility data was correlated with various thermodynamic models such as the Buchowski equation, the NRTL model, and the modified Apelblat-Jouyban-Acree model. The mathematical models demonstrated that the calculated and experimental solubilities of benzoic acid in the solvents were in good agreement. [ABSTRACT FROM AUTHOR]

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 x 10-2 and 6.37 x 10-4, respectively. Furthermore, molecular dynamics simulation was carried out to explain the dissolving ability of the model compound. [ABSTRACT FROM AUTHOR]

The solubilities of 2,5-furandicarboxylic acid (FDCA) in binary acetic acid + water, methanol + water, and ethanol + water solvent mixtures were measured by a static analytical method with the mass fraction of water in the solvent varying from 0 to 0.3 at atmospheric pressure. Furthermore, the molar enthalpy of fusion (ΔfusH = 55.131 kJ/mol) and fusion temperature (Tfus = 614.45 K) of FDCA were determined by differential scanning calorimetry. The non-random two liquid (NRTL) model and the measured parameters were used to correlate these solubility data, and the relevant parameters were regressed by the least-squares method. The NRTL model was found to provide a satisfactory representation of the experimental data. [ABSTRACT FROM AUTHOR]

Furan compounds are of mounting global interest due to their biorenewable nature and their potential to replace petroleum-based compounds as feedstocks in manufacturing. In this work the solubilities of furfural and the furancarboxylic acids 2-furoic acid (FA), 5-formyl-2-furancarboxylic acid (FFA), and 2,5-furandicarboxylic acid (FDCA) in aqueous solutions and organic solvents were investigated experimentally and by modeling with perturbed-chain statistical associating fluid theory (PC-SAFT). The PC-SAFT pure-component parameters of the solutes FA, FFA, and FDCA and one binary parameter between each solute and each solvent were adjusted to fit experimentally determined solubilities of each solute in each organic solvent or in water. Pure-component parameters of furfural were fitted to experimental density data and vapor-pressure data, and a binary interaction parameter was fitted to capture the solubility behavior of furfural in water. Modeling of pH effects enhanced predictions of the mutual influences of the acids on their solubilities in ternary aqueous systems. Mutual solubility influences of furfural and the furancarboxylic acids were accurately modeled with one constant binary parameter for the acid-furfural mixtures. All PC-SAFT modeling results were validated with new experimental solubility data at 35 °C, which were measured by HPLC analysis of equilibrated saturated solutions. [ABSTRACT FROM AUTHOR]

Isothermal dissolution method and turbidity technology were employed to measure the solubility, the supersolubility, and the metastable zone width of Li2CO3 in mixed LiCl-NaCl-KCl-Na2SO4 solutions at temperatures ranging from 293.15 to 353.15 K. It was found that the solubility values of Li2CO3 increased as the Na2SO4 concentration increased and decreased as the NaCl and KCl concentrations increased. In addition, these two opposite effects both affected the solubility of Li2CO3 in mixed electrolyte solutions. NaCl and KCl impurities decreased Li2CO3 supersolubility, which could be overcome by adding a small amount of Na2SO4 salt. The influence of the impurities on the metastable zone width differed from their influence on the solubility. The metastable zone width in electrolyte solutions was mainly affected by Na2SO4 salt, where it increased with the increasing Na2SO4 concentration. Meanwhile, NaCl and KCl salts had little impact on the metastable zone width. Overall, this study provides the basic data for the crystallization process of the lithium carbonate from salt lake brines in the industrial production process. [ABSTRACT FROM AUTHOR]

α-Thio-β-chloroacrylamides are of considerable synthetic utility due to their versatile reactivity profile enabling a diverse range of useful transformations. Availability of accurate and extensive solubility data and models is a prerequisite for advanced process optimization of such valuable pure synthetic intermediate compounds, in particular facilitating their isolation with a high degree of efficiency and control. As an illustrative example the solubility of one such derivative, N-(4-methylphenyl-Z-3-chloro-2-(phenylthio)propenamide (Z-1), is described in the present work. Solubility data is reported in 12 pure solvents specifically selected for their potential utility in synthesis and isolation at scale. Solubility data are determined using the gravimetric method across a range of temperatures T= (278.15 to 318.15) K under pressure of 0.1 MPa. On a molar basis, the solubility of Z-1 at temperature T = 298.15 K was observed to follow the order: tetrahydrofuran > 1,2-dichloroethane > 2-methyltetrahydrofuran > butanone > acetone > ethyl acetate > methyl acetate > toluene > tert-butyl methyl ether > acetonitrile > 2-propanol > 2-methyl-2-butanol. The experimental solubility data were correlated by the modified Apelblat, Margules, Van-Laar, Wilson, and nonrandom two-liquid (NRTL) models. The NRTL model was found to result in the lowest error for 8 of the 12 solvents tested. In the case of acetonitrile, the Wilson model had a slightly lower mean square error of 3.52 × 10-4 while for methyl acetate and 1,2-dichloroethane the Van-Laar model had the smallest mean square error of 1.47 × 10-3 and 3.54 × 10-4, respectively. The provision of solubility data and models for such a prized and versatile compound will assist with further development of continuous isolation strategies. [ABSTRACT FROM AUTHOR]

2,5-Furandicarboxylic acid (FDCA) serves as a monomer in various polyesters and is often obtained through the oxidation of 5-hydroxymethylfurfural. The solubility data of FDCA are of great value for the reaction process analysis and separation technology. The experimental solubility of FDCA in eight pure solvents (water, methanol, acetonitrile, acetic acid, ethyl acetate, methyl isobutyl ketone (MIBK), 1-butanol, and isobutanol) and two binary solvent systems (water + acetonitrile and water + acetic acid) in the temperature range of 313.15-363.15 K was determined. In pure solvents and binary mixtures, the solubility of FDCA increased with the increasing temperature. The order from largest to smallest solubility in pure solvents was as follows: methanol, 1-butanol, isobutanol, acetic acid, water, MIBK, ethyl acetate, and acetonitrile. The mole fraction of FDCA in binary mixtures increased first and then decreased with the increasing mole fraction of water. The solubility data were correlated with the UNIQUAC model, NRTL model, and WILSON model. [ABSTRACT FROM AUTHOR]

The solubility of solid sodium oxalate (Na2Ox) has been measured in a variety of concentrated aqueous electrolyte solutions at T = 298.15, 323.15, and 343.15 K by titration of dissolved oxalate with permanganate. The electrolyte solutions studied (not necessarily at all temperatures) were NaCl, NaClO4, NaOH, LiCl, KCl, Me4NCl, and KOH at concentrations ranging from approximately 0.5 mol·kg-1 to at least 5 mol·kg-1. Where comparisons were possible, the present results were in excellent agreement with literature data. The solubility of Na2Ox(s) decreased markedly with increasing concentrations of Na+(aq), due to the common ion effect. This decrease was almost independent of the electrolyte anion. A number of ternary mixtures of these electrolytes were also investigated at constant ionic strength. Consistent with the binary mixtures, the solubility of Na2Ox(s) showed almost no dependence on solution composition at constant Na+(aq) concentrations. Solubilities in non-Na+ media, with the exception of Me4NCl, showed small but regular increases with increasing concentration of added electrolyte, probably reflecting activity coefficient variations. The solubility data in certain Na+-containing media could be correlated accurately at all temperatures and concentrations using a relatively simple Pitzer model with interaction parameters for Na2Ox(aq) assumed to be identical to those available in the literature for Na2SO4(aq). [ABSTRACT FROM AUTHOR]

The study presents the saturated solubilities of four amino acids such as glycine, dl-alanine, dl-valine, and dl-serine in water media containing sodium bromide and potassium bromide electrolytes at standard temperature (298.15 K) which were evaluated by applying the "gravimetric method". Various physicochemical and thermodynamical parameters such as enthalpy of solvation, free energy change, density, molar volume, solvent diameter, cosolvent diameter, apparent dipole moment of aqueous electrolyte systems, mole fraction of salt and solvent, mean molecular weight of electrolyte solvent and isothermal expansibility constant of aqueous electrolytes were estimated at standard temperature (298.15 K). The characteristics and degree of solubilities of the experimental molecules in water media in the presence of NaBr and KBr were examined by means of the salting-in effect which was further justified by relative solubility and salting-in constants. Various reasonings influencing the solubility were introduced and interrelated with appropriate thermodynamical issues. Ultimately the chemical transfer Gibbs free energies were measured and used to justify the stability of the experimental molecules in water media in the presence of electrolytes. [ABSTRACT FROM AUTHOR]

The addition of organic solvents to α-amino acids in aqueous solution could be an effective method in crystallization. We reviewed the available data on the solubility of α-amino acids in water, water-ethanol mixtures, and ethanol at 298.15 K and 0.1 MPa. The solubility of l-alanine, l-proline, l-arginine, l-cysteine, and l-lysine in water and ethanol mixtures and the solubility of l-alanine, l-proline, l-arginine, l-cysteine, l-lysine, l-asparagine, l-glutamine, l-histidine, and l-leucine in pure ethanol systems were measured and are published here for the first time. The impact on the solubility of amino acids that can convert in solution, l-glutamic acid and l-cysteine, was studied. At lower concentrations, only the ninhydrin method and the ultraperfomance liquid chromatography (UPLC) method yield reliable results. In the case of α-amino acids that convert in solution, only the UPLC method was able to discern between the different α-amino acids and yields reliable results. Our results demonstrate that α-amino acids with similar physical structures have similar changes in solubility in mixed water/ethanol mixtures. The solubility of l-tryptophan increased at moderate ethanol concentrations. [ABSTRACT FROM AUTHOR]