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• Solubility of thiamethoxam in three binary solvent mixtures was measured. • The miscibility of thiamethoxam in mixed solvents was demonstrated by HSP. • Solubility data was correlated by five models. • The mixing thermodynamic properties of thiamethoxam dissolution were evaluated. This work determined the mole fraction solubility of thiamethoxam in three binary solvent mixtures ((DMSO, DMA and acetic acid) + methanol) under the conditions of "T = 278.15 K to 323.15 K" and " p = 0.1 MPa". The results demonstrated that with the increase of temperature and co-solvent mass fraction, the measured solubility of thiamethoxam increases in all the solvent mixtures studied. The results of using Hansen solubility parameters to investigate the affinity between thiamethoxam and the three mixed solvents studied indicate that this affinity may be caused by a combination of factors. Five thermodynamic models including modified Apelblat model, λh model, Wilson model, NRTL model and UNIQUAC model were used to regress the experimental solubility data of thiamethoxam in the three binary solvent mixtures. It was found that the UNIQUAC model and the modified Apelblat model correlated the experimental solubility more accurately than the other three models. In addition, the mixed thermodynamic properties for mixing process of thiamethoxam in different mixed solvents were estimated and discussed in term of Wilson model and experimental solubility data of thiamethoxam. Moreover, Wilson model was used to calculate the mixing thermodynamic parameters (Δ mix G , Δ mix H , Δ mix S) of the mixing process of thiamethoxam. All Δ mix G and Δ mix H values are negative and Δ mix S values are positive, which indicate that the mixture process of thiamethoxam in all the binary solvent mixtures studied is an entropy driven and spontaneous endothermic process. [ABSTRACT FROM AUTHOR]

• Solubility of benflumetol in pure alcohols and esters was measured. • Hansen solubility parameter was applied to analyze the solubility behavior. • KAT-LSER model was applied to analyze the solvent effect. • Solubility was fitted by λh, modified Apleblat, Two-Suffix Margules, NRTL and UNIQUAC models. • Thermodynamic properties of the solution were calculated. The equilibrium solubility and thermodynamic properties of benflumetol in methanol, ethanol, n-propanol, n-butanol, n-pentanol, n-hexanol, n-heptanol, n-octanol, methyl acetate, ethyl acetate, n-propyl acetate, n-butyl acetate and n-pentyl acetate were reported. Solubility determinations were performed through the laser monitoring method at T = (278.15–323.15) K and p = 101.3 kPa. It is found that the mole fraction solubility of benflumetol increases apparently with the augmented experimental temperature. In addition, the solubility of benflumetol in all ester solvents is greater than that in alcohol solvents. The maximum mole fraction solubility of benflumetol is obtained in n-pentyl acetate (4.061 × 10−2, T = 323.15 K), and the minimum mole fraction solubility of benflumetol is obtained in methanol (1.341 × 10−5, T = 278.15 K). The Hansen solubility parameter for benflumetol as well as selected solvents was summarized to analyse the probabilities of miscibility between solute and solvents. The analysis consequence shows that the miscibility of benflumetol with selected solvents is caused by a combination of factors. All recorded solubility of benflumetol were regressed by λh model, modified Apleblat model, two-Suffix Margules model, NRTL model and UNIQUAC model. By comparison, it can be found that the average ARD and 104 RMSD of the modified Apelblat model and NRTL model are smaller than the other three models, indicating that these two moedls are more suitable for correlating the solubility data. In addition, the apparent thermodynamic properties of benflumetol in all neat solvents were calculated and investigated by the Van't Hoff equation. The results illustrated that the dissolution process of benflumetol is an entropy-driven endothermic process. [ABSTRACT FROM AUTHOR]

• Solubility of oxaprozin in thirteen pure solvents was measured. • Hansen solubility parameter was applied to analyze the solubility order. • KAT-LSER model was applied to analyze the solvent effect. • Solubility data was correlated by modified apelblat model, λh model, NRTL model, UNIQUAC model. • Thermodynamic properties of the solution were calculated. The solubility of oxaprozin in thirteen organic solvents (methanol (MeOH), ethanol (EtOH), n-propanol (n-PrOH), n-butanol (n-BuOH), n-pentanol (n-PeOH), methyl acetate (MeAC), ethyl acetate (EtAC), n-propyl acetate (n-PrAC), n-butyl acetate (n-BuAC), n-amyl acetate (n-AmAC), N,N-dimethylacetamide (DMAC), N,N-dimethylformamide (DMF), dimethyl sulfoxide (DMSO)) was determined using a laser monitoring method at atmospheric pressure in this work. The measured temperature range for all selected solvents is 278.15 K to 323.15 K except DMSO 293.15 K to 323.15 K. Through the entire studied temperature range, the results turned out that oxaprozin solubility in selected solvents has a positive correlation with temperature variation. Four mathematical models were employed to correlate the solubility data including two empirical models (modified Apelblat model, λh model) and two activity coefficient models (UNIQUAC model, NRTL model), with the modified Apelblat model giving the best regression. Solubility order of oxaprozin in thirteen solvents was analysed by using the Hansen solubility parameter (HSP) and the solvent effect (solvent interaction) was investigated through correlating oxaprozin solubility in selected solvents based on KAT-LSER model. Moreover, according to van't Hoff equation, thermodynamic properties including apparent standard molar enthalpy change (Δ sol H °), apparent standard molar Gibbs energy change (Δ sol G°) and apparent standard molar entropy change (Δ sol S) of the dissolution process of oxaprozin were also calculated and discussed. [ABSTRACT FROM AUTHOR]

Corrigendum to "Solubility determination, model evaluation, Hansen solubility parameter and thermodynamic properties of benorilate in six pure solvents and two binary solvent mixtures" [J. Chem. Thermodyn. [Extracted from the article]

• The solubility of praziquantel was studied in eleven mono-solvents. • KAT-LSER model and molecular dynamic simulation were employed to investigate the solute-solvent interactions. • Five different models were used to correlate the solubility data. • Thermodynamic properties of praziquantel were calculated and discussed. The equilibrium solubility and thermodynamic properties of praziquantel (PZQ) in eleven organic mono-solvents were reported. Solubility determinations were performed through the laser monitoring method at T = (278.15–323.15) K and p = 101.3 kPa. It is found that the mole fraction solubility of PZQ increases apparently with the augmented experimental temperature. The solubility of PZQ in mono-solvents exhibits the following order from maximum to minimal at 298.15 K: DMA (0.04891) > DMF (0.04191) > 2-butoxyethanol (0.03351) > 2-propoxyethanol (0.03137) > 2-ethoxyethanol (0.02931) > n-butanol (0.02008) > n-propanol (0.01834) > ethanol (0.01735) > n-propyl acetate (0.01446) > n-butyl acetate (0.01183) > ethanediol (0.002505). The highest value in PZQ solubility profile is related to DMA at 323.15 K (x 1 = 0.1026) and the lowest one is obtained for ethanediol (9.430e-4, T = 278.15 K). The results of using the KAT-LSER model to study the solvent effect of PZQ solubility show that the solute-solvent interactions are principally attributed to the hydrogen bonding basicity and solvent's self-cohesiveness. Then, the analysis of solute-solvent interaction using MD simulation shows that the interaction between solute and solvent molecules has a great influence on the solubility of PZQ in selected solvents. In addition, all recorded solubility of PZQ was regressed by λh model, modified Apleblat model, Two-Suffix Margules model, NRTL model and UNIQUAC model. By calculating the deviation between the experimental data and the regression data, it shows that the modified Apelblat model and λh model can provide more accurate correlation results for the solubility of PZQ in all the solvents studied. Furthermore, apparent thermodynamic properties of PZQ in all mono-solvents studied were calculated and investigated according to Van't Hoff equation, and it turns out that the dissolution process is an endothermic, non-spontaneous process driven by entropy. [ABSTRACT FROM AUTHOR]

• Solubility of benorilate in pure solvents and binary solvent mixtures was measured. • Hansen solubility parameter was applied to analyze the solubility behavior. • Six different models were used to correlate the solubility data. • Thermodynamic properties of the solution were calculated by Van't Hoff equation. The equilibrium solubility and thermodynamic properties of benorilate in six pure solvents (methyl acetate, n-propyl acetate, n-butyl acetate, n-pentyl acetate, DMAC and DMSO) and two binary solvents (DMAC + n-pentyl acetate, DMSO + n-pentyl acetate) were reported. Solubility determinations were performed through the laser monitoring method at T = (278.15–323.15) K and p = 0.1 MPa, except DMSO at (293.15–323.15) K. The measurement results illustrated that the solubility of benorilate in all the six mono-solvents and two binary solvents shows a positive relation with temperature variation. And with the mass fraction of positive solvents (DMAC, DMSO) in the binary mixed solvents increasing, the solubility of benorilate also rises. And then, the Hansen solubility parameter (HSP) of benorilate as well as solvents selected were summarized to analyse the probabilities of miscibility between solute and solvents. The results indicate that the HSP could explain the solubility trend well, and the miscibility of benorilate with selected solvents is caused by a combination of factors. In addition, all recorded solubility of benorilate in pure solvents were regressed by λh, modified Apleblat, Two-Suffix Margules, NRTL and UNIQUAC models, while solubility of benorilate in two binary solvents were regressed by λh, modified Apleblat, Three-Suffix Margules, NRTL and UNIQUAC models. By calculating the deviation between the experimental data and the regression data, it shows that the modified Apelblat model and λh model can provide more accurate correlation results for the solubility of benorilate in all the solvents studied. Furthermore, the apparent thermodynamic properties of benorilate in all solvents were calculated and investigated by the Van't Hoff equation. The results demonstrate that the dissolution process of benorilate is an endothermic, non-spontaneous process driven by entropy. [ABSTRACT FROM AUTHOR]

• Solubility of ipriflavone in three binary solvents was determined. • Miscibility and solubility behavior were revealed by Hansen solubility parameter. • Solubility was correlated with Apelblat, λH, NRTL and UNIQUAC models. • Thermodynamic properties of ipriflavone dissolution process were discussed by van't Hoff equation. Ipriflavone is a drug widely used in clinical treatment and prevention of osteoporosis, and it also has a certain protective effect on the nervous system. In this work, the laser dynamic method was used to measure the solubility data of IP in three binary solvents under normal pressure (temperature range: 278.15 K to 323.15 K). The results show that as both the mass fraction of positive solvents (NMP, DMF, DMAC) in the binary mixed solvents and the temperature increase, the solubility of IP increases. In addition, the Hansen solubility parameter (HSP) was used to analyze the order of solubility. The results indicated that the selected solubility parameters (Δ δ d , Δ δ p , Δ δ h , Δ δ t and Δ δ) could explain the solubility trend well. Furthermore, the modified Apelblat equation, λH equation, NRTL model and UNIQUAC model were used to correlate the solubility data in binary mixed solvents. By calculating the deviation between the experimental data and the fitting data, it shows that the selected models have a good correlation with the solubility data of IP. Finally, the modified van't Hoff equation was used to calculate the apparent thermodynamic properties of IP during the dissolution process. The results show that the dissolution process is always endothermic and entropy driven. [ABSTRACT FROM AUTHOR]

• Solubility of ipriflavone in twelve pure solvents was measured. • Solubility data was correlated by Apelblat, λH, NRTL, UNIQUAC, and Van't hoff model. • KAT-LSER model was applied to analyze the solvent effect. • The apparent thermodynamic properties of ipriflavone dissolution in pure solvents were evaluated. In this study, by using laser dynamic monitoring, the dissolution behavior of ipriflavone (IP) in pure solvents of methanol, ethanol, n-propanol, n-butyl alcohol, 1-pentanol, methyl acetate, DMF, DMAC, acetone, acetonitrile, methylbenzene at (278.15–323.15) K and dichloromethane at (278.15–308.15) K was investigated under 0.1 MPa. The results showed that the molar solubility of IP in pure solvents increases non-linearly with the increase of the experimental temperature. The order of the solubility of IP in the pure solvents studied is: dichloromethane > DMAC > DMF > methylbenzene > methyl acetate > acetone > acetonitrile > 1-pentanol > n-butyl alcohol > n-propanol > ethanol > methanol. Moreover, experimental solubility data were correlated well with five thermodynamic models (Apelblat, λH, NRTL, UNIQUAC, and Van't hoff model). The calculation results showed that the Apelblat model has the smallest average values of the relative deviation (ARD) and root mean square deviation (104 RMSD), being 1.878% and 2.933, respectively. Furthermore, the influence of solvent–solute interactions on the solubility of IP in pure solvents was analyzed by using the KAT-LSER model. In addition, the apparent thermodynamic properties(△ sol G °, △ sol H °, △ sol S °) of IP in pure solvents were calculated by correlating experimental solubility data with the Van't hoff model. The results show that the dissolution process of IP in the experimental solvents was endothermic and entropy-driven. [ABSTRACT FROM AUTHOR]