Properties Of Mixed Solutions Research Articles

Solid–Liquid Phase Equilibrium of Isophthalonitrile in 16 Solvents from T = 273.15 to 324.75 K and Mixing Properties of Solutions

The solid–liquid equilibrium of isophthalonitrile (IPN) in 16 solvents (methanol, ethanol, n-propanol, isopropanol, acetone, ethyl acetate, acetonitrile, chloroform, cyclohexanone, cyclopentanone, methyl acetate, ethyl formate, 2-pentanone, tetrahydrofuran, toluene, and diethyl ether) was measured by using a static equilibrium method at temperatures T = 273.15–324.75 K under atmospheric pressure. The results demonstrated that the solubility of IPN in these 16 monosolvents increased with increasing temperature. The largest solubility values of IPN were found in cyclopentanone, and the lowest were in isopropanol. The values of solubility in ketones were much larger than those in esters and alcohols. In alcohols, the solubility ranked as methanol > ethanol > n-propanol > isopropanol, and the sequence was identical to that of the solvent polarities. The polarity of the solvent is an important factor influencing the solubility profiles of IPN in alcohols, despite that the conclusion is not supported by other kinds of solvents studied. Moreover, the Apelblat equation, λh equation, Wilson model, and nonrandom two-liquid model were used to correlate the experimental values. The calculated values of four models all provided good fitting results with the experimental data, and the values of root-mean-square deviation and relative average deviation (RAD) were no more than 6.84 × 10–4 and 6.84 × 10–3, respectively. Furthermore, the thermodynamic properties of the mixing process for IPN in selected solvents were calculated, that is, mixing Gibbs energy (ΔmixG), molar enthalpy (ΔmixH), and molar entropy (ΔmixS). The results indicated that the mixing process of IPN was a spontaneous and entropy-driven process. The solid–liquid equilibrium data and solution thermodynamics would be helpful for the synthesis and purification of IPN in the industry.

Formation of carboxymethylchitosan/gemini surfactant adsorption layers at the air/water interface: Effects of association in the bulk

The surface properties of mixed solutions containing an anionic polyelectrolyte, carboxymethylchitosan (CMCH), and a cationic gemini surfactant, 1,2-bis(dodecyldimethlyammonio)hexane dibromide (C12C6C12), were studied by measuring the surface tension and the dynamic surface elasticity. The association behaviors in the solutions were also measured by fluorescence probe technique. The results showed that the adsorption layer transformed from pure elastic 2D layer to visco-elastic 3D layer with increase in surfactant concentration. The microparticles in the 3D layer were adsorbed from the adjacent bulk to the surface but not formed directly in the surface layer as it was sometimes assumed in other polyelectrolyte/surfactant systems. The stress relaxation mechanism were supposed to be the mass exchange between the unstructured thinner film surrounding the microparticles and the adjacent bulk during the surface compression or expansion. These surface properties of CMCH/C12C6C12 solutions were influenced strongly by the association in the bulk solution.

Measurement and Correlation of the Solubility of 2-Cyanoacetamide in 14 Pure Solvents and the Mixing Properties of Solutions

The solubility of 2-cyanoacetamide in N,N-dimethylformamide, acetone, acetonitrile, methanol, methyl acetate, tetrahydrofuran, ethanol, ethyl acetate, n-propanol, n-butanol, trichloromethane, dichl...

Reply to “Comment on ‘Solubility determination and correlation of cyromazine in sixteen pure solvents and mixing properties of solutions’”

The Comment on “Solubility determination and correlation of cyromazine in sixteen pure solvents and mixing properties of solutions” is valuable and helpful for us to improve the quality of the work we published recently. According to the comments, we checked the corresponding section carefully. The main reason for this discrepancy is the Eqn. 30 in our original work was incorrect. The errors should be corrected and in this reply the values of the H1E,∞ are recalculated. The results show that the values of activity coefficient at infinite dilution (γ1∞) and partial molar excess enthalpy at infinite dilution (H1E,∞) are thermodynamically consistent and all the solubility data we published are reliable.

Comment on “Solubility determination and correlation of cyromazine in sixteen pure solvents and mixing properties of solutions”

The numerical values of the logarithm of the infinite dilution activity coefficient, lnγ1∞, and excess partial molar excess enthalpy at infinite dilution, H1E,∞, calculated by Zhang and coworkers are not thermodynamically consistent with each other. The calculated values do not obey the standard thermodynamic relationship that the variation in lnγ1∞ with 1/T must be equal H1E,∞ divided by the universal gas constant.

Comment regarding the paper “Solubility determination and thermodynamic modelling of 3,5-dimethylpyrazole in nine organic solvents from T = (283.15 to 313.15) K and mixing properties of solutions”

Errors were discovered regarding the published equation coefficients of Yao and co-workers (2017) for mathematically describing the solubility of 3,5-dimethylpyrazole in nine organic solvents using the NRTL model. Larger differences were found between our back-calculated data and those reported in the authors' published paper. The equation parameters were re-regressed based on the reported solubility data.

Corrigendum to “Solubility determination and thermodynamic modeling of 2,4-dinitroaniline in nine organic solvents from T = (278.15 to 318.15) K and mixing properties of solutions” [J. Chem. Thermodyn. 102 (2016) 178–187

Corrigendum to “Solubility determination and thermodynamic modeling of 2,4-dinitroaniline in nine organic solvents from T = (278.15 to 318.15) K and mixing properties of solutions” [J. Chem. Thermodyn. 102 (2016) 178–187

Solubility determination and correlation of cyromazine in sixteen pure solvents and mixing properties of solutions

The solubility of cyromazine in the pure solvents (methanol, ethanol, 1-propanol, 1-butanol, 1-pentanol, 1-hexanol, 1-heptanol, water, acetone, 2-propanol, isobutanol, 3-methyl-1-butanol and 2-butanol) at 283.15 K–323.15 K, cyromazine in the pure solvents (acetic acid and acrylic acid) at 293.15 K–333.15 K and cyromazine in the pure solvent of propanoic acid at 278.15 K–318.15 K.were measured by a laser dynamic method under atmospheric pressure. The experimental results show that the mole fraction solubility of cyromazine in the sixteen pure solvents decreased according to the following order: acrylic acid > acetic acid > propanoic acid > methanol > ethanol ≈ water > 1-propanol > 1-butanol >1-pentanol >1-hexanol > 1-heptanol > 3-methyl-1-butanol ≈ (2-propanol, 2-butanol, isobutanol and acetone). In order to facilitate industrial application (to improve the purity of cyromazine by crystallization in industry) and other research studies, the experimental solubility data are correlated with the five thermodynamic models: modified Apelblat equation, λh equation, non-random two liquid (NRTL) model equation, Wilson model equation and van't Hoff equation. Moreover, the mixing Gibbs energy (ΔmixG), mixing entropy (ΔmixS), mixing enthalpy (ΔmixH), activity coefficient (γ1∞) at infinitesimal concentration and reduced excess enthalpy (H1E,∞) were obtained and the mixing process of cyromazine in the selected solvents are evaluated based on the Wilson model. The relatively close values of γ1∞ and γ1 indicated that the cyromazine -selected solvents solution systems are not highly non-ideal.

Solubility Measurement and Modeling of 1-(3-nitrophenyl)Ethanone and 1-(4-nitrophenyl)Ethenone in Nine Pure Organic Solvents from T = (278.15 to 318.15) K and Mixing Properties of Solutions

The knowledge of solubility and solution thermodynamics for 1-(3-nitrophenyl)ethanone and 1-(4-nitrophenyl)ethenone in different solvents is essential for their purification and further theoretical...

Thermodynamic functions for solubility of 2-mercaptobenzothiazole in eleven pure organic solvents at temperatures from 273.15 K to 318.15 K and mixing properties of solutions

The solid-liquid equilibrium of 2-mercaptobenzothiazole in eleven solvents of methanol, n-propanol, i-propanol, n-butanol, i-butanol, acetonitrile, ethyl acetate, toluene, 2-butanone, chloroform and 1,4-dioxane was investigated by the isothermal dissolution equilibrium method under atmosphere pressure of 101.2kPa, and the solubilities were determined by a high-performance liquid chromatography at T=(273.15, 275.65, 278.15, 280.65, 283.15, 285.65, 288.15, 290.65, 293.15, 295.65, 298.15, 300.65, 303.15, 305.65, 308.15, 310.65, 313.15, 315.65 and 318.15)K. For the eleven solvents, the mole fraction solubility of 2-mercaptobenzothiazole increased with increasing temperature. Thee obeyed the following order from high to low in different solvents: 2-butanone>1,4-dioxane>ethyl acetate>n-butanol>n-propanol>i-butanol>i-Propanol>methanol>chloroform>acetonitrile>toluene. The solubility values obtained for 2-mercaptobenzothiazole in the selected solvents were correlated with four models, which corresponded to modified Apelblat equation, λh equation, Wilson model and NRTL model. The largest values of relative average deviation and the root-mean-square deviation acquired with the four models were 0.59 % and 4.86×10−4, respectively. Generally, the four thermodynamic models were all acceptable for describing the solubility behaviour of 2-mercaptobenzothiazole in the solvents. In addition, based on the Wilson model, the mixing thermodynamic properties (mixing Gibbs energy, mixing enthalpy, mixing entropy, activity coefficient at infinitesimal concentration and reduced excess enthalpy) of solutions were derived. The results indicated that the dissolution of 2-mercaptobenzothiazole in all studied cases was spontaneous and favourable. The solubility values and thermodynamic relations of 2-mercaptobenzothiazole in selected solvents would be invoked as fundamental data and models regarding the purification process of 2-mercaptobenzothiazole.

Solubility determination and thermodynamic modeling of sodium 1-naphthalenesulfonate and sodium 2-naphthalenesulfonate in six organic solvents from T = (278.15 to 323.15) K and mixing properties of solutions

The solubility of sodium 1-naphthalenesulfonate and sodium 2-naphthalenesulfonate in pure organic solvents of acetone, 1,4-dioxane, cyclohexanone, ethanol, ethyl acetate and isopropanol were measured by using the isothermal saturation method at temperature ranging from (278.15 to 323.15) K under 101.3kPa. The mole fraction solubility of sodium 1-naphthalenesulfonate and sodium 2-naphthalenesulfonate in the selected pure solvents increased with the increase in temperature. The maximum mole fraction solubility of sodium 1-naphthalenesulfonate was observed in ethanol (2.767×10−3 at 323.15K), followed by that in 1,4-dioxane (2.028×10−3 at 323.15K), cyclohexanone (1.522×10−3 at 323.15K), isopropanol (1.094×10−3 at 323.15K), acetone (5.997×10−4 at 308.15K) and ethyl acetate (3.111×10−4 at 323.15K); For sodium 2-naphthalenesulfonate+solvents systems, the maximum mole fraction solubility was observed in ethanol (1.178×10−3 at 323.15K), followed by that in 1,4-dioxane (1.027×10−3 at 323.15K), ethyl acetate (6.197×10−4 at 323.15K), cyclohexanone (3.233×10−4 at 323.15K), isopropanol (1.058×10−4 at 323.15K) and acetone (9.683×10−5 at 323.15K). The measured solubility data were correlated and calculated by using the modified Apelblat equation, λh equation and NRTL model. The calculated solubilities agreed better with the experimental values by using the modified Apelblat equation than the other two models. Moreover, the mixing properties including the mixing Gibbs energy, mixing enthalpy, mixing entropy, activity coefficient at infinitesimal concentration (γ1∞) and reduced excess enthalpy (H1E,∞) were calculated by NRTL model.

Solubility determination and thermodynamic modelling of 2-amino-5-methylthiazole in eleven organic solvents from T = (278.15 to 313.15) K and mixing properties of solutions

Solubility of 2-amino-5-methylthiazole in methanol, ethanol, n-propanol, isopropanol, acetone, 2-butanone, acetonitrile, ethyl acetate, toluene, 1,4-dioxane and cyclohexane were determined by using the isothermal saturation method over a temperature range from (278.15 to 313.15)K under atmosphere pressure (101.2kPa). The solubility of 2-amino-5-methylthiazole in the studied solvents increased with the increase in temperature, and the mole solubility obeyed the following order from high to low in different solvents: methanol>ethyl acetate>acetone>ethanol>1,4-dioxane>(2-butanone, n-propanol)>isopropanol>acetonitrile>toluene>cyclohexane. The attained solubility data of 2-amino-5-methylthiazole were correlated by using the modified Apelblat equation, λh equation, Wilson model and NRTL model. The maximum values of root-mean-square deviation (RMSD) and relative average deviation (RAD) were 10.66×10−4 and 1.74%, respectively. Furthermore, the mixing Gibbs energy, mixing enthalpy, mixing entropy, activity coefficient at infinitesimal concentration and reduced excess enthalpy were evaluated.

Solubility determination and thermodynamic modelling of 3,5-dimethylpyrazole in nine organic solvents from T = (283.15 to 313.15) K and mixing properties of solutions

Solubility of 3,5-dimethylpyrazole in nine organic solvents including ethanol, isopropanol, n-propanol, 1-butanol, methanol, ethyl acetate, toluene, acetone, acetonitrile was determined experimentally by using the isothermal saturation method over a temperature range from (283.15 to 313.15)K under 101.3kPa. For the temperature range studied, the solubility of 3,5-dimethylpyrazole in the solvents increased with a rise of temperature. In general, they obeyed the following order from high to low in different solvents: 1-butanol>n-propanol>(ethanol, isopropanol, methanol, ethyl acetate, acetone)>toluene>acetonitrile. The acquired solubility data of 3,5-dimethylpyrazole in the studied solvents were correlated by using the modified Apelblat equation, λh equation, Wilson model and NRTL model. The maximum values of root-mean-square deviation (RMSD) and relative average deviation (RAD) were 3.293×10−3 and 2.62%, respectively. The RAD values acquired with the modified Apelblat equation were smaller than those with the other three models for a certain solvent except for the system of n-propanol. Generally, the four thermodynamic models were all acceptable for the systems of 3,5-dimethylpyrazole in these solvents. Furthermore, the mixing Gibbs energy, mixing enthalpy, mixing entropy, activity coefficient at infinitesimal concentration (γ1∞) and reduced excess enthalpy (H1E,∞) were obtained. The solution process of 3,5-dimethylpyrazolewas spontaneous in the studied solvents. The obtained solubility and thermodynamic studies would be very helpful for optimizing the purification process of 3,5-dimethylpyrazole.

Solubility of 4-methyl-2-nitroaniline in fourteen organic solvents from T = (278.15 to 313.15) K and mixing properties of solutions

The knowledge of solubility and solution thermodynamics for 4-methyl-2-nitroaniline in different solvents is essential for its preparation, purification and further theoretical studies. In this work, the solid-liquid equilibrium for 4-methyl-2-nitroaniline in fourteen organic solvents (methanol, ethanol, n-propanol, isopropanol, n-butanol, toluene, ethyl acetate, acetonitrile, 2-butanone, 1,4-dioxane, N,N-dimethylformamide, carbon tetrachloride, 1,2-dichloroethane and chlorobenzene) was built with the isothermal saturation method at temperatures T=(278.15–318.15)K under pressure of 101.2kPa, and the solubility values of 4-methyl-2-nitroaniline in these solvents were determined by a high-performance liquid chromatography (HPLC). Generally, the mole fraction solubilities obeyed the following order from high to low in different solvents: 2-butanone>N,N-dimethylformamide>ethyl acetate>1,4-dioxane>(acetonitrile, 1,2-dichloroethane)>chlorobenzene>(toluene, n-butanol)>n-propanol>isopropanol>ethanol>methanol>carbon tetrachloride. The obtained solubility data of 4-methyl-2-nitroaniline in the selected solvents were correlated with the modified Apelblat equation, λh equation, Wilson model and NRTL model. Results showed that the largest values of relative average deviation and root-mean-square deviation acquired with the four models were no greater than 1.03% and 6.89×10−4, respectively. The modified Apelblat equation provided better correlation results than the other three models. Moreover, the mixing properties, including mixing Gibbs energy, mixing enthalpy, mixing entropy, activity coefficient at infinitesimal concentration and reduced excess enthalpy were computed. The mixing process of 4-methyl-2-nitroaniline in the studied solvents was spontaneous and endothermic. The obtained solubility and thermodynamic studies would be very helpful for optimizing the preparation and purification process of 4-methyl-2-nitroaniline.

Solubility and thermodynamic functions of tebuconazole in nine organic solvents from T = (278.15 to 313.15) K and mixing properties of solutions

The solubility of tebuconazole in nine organic solvents including methanol, ethanol, isopropanol, n-propanol, ethyl acetate, toluene, acetone, 2-butanone and acetonitrile was determined experimentally by using the isothermal saturation method over a temperature range from (278.15 to 313.15)K under 101.2kPa. For the temperature range investigated, the mole fraction solubility of tebuconazole in the solvents increased with a rise of temperature. On the whole, they obeyed the following order from high to low in different solvents: 2-butanone>acetone>(ethyl acetate, toluene)>methanol>ethanol>isopropanol>n-propanol>acetonitrile. The acquired solubility data of tebuconazole in the studied solvents were correlated by using the modified Apelblat equation, λh equation, Wilson and NRTL models. The maximum values of root-mean-square deviation (RMSD) was 12.35×10−4, and the relative average deviation (RAD), 1.56%. Generally, the four thermodynamic models could all be employed to describe the solubility behaviour of tebuconazole in these solvents, and the modified Apelblat equation correlated the experimental data best according to the result of Akaike Information Criterion (AIC) analysis. Furthermore, the mixing Gibbs energy, mixing enthalpy, mixing entropy, activity coefficient at infinitesimal concentration (γ1∞) and reduced excess enthalpy (H1E,∞) were computed. The solubility obtained and thermodynamic studies should be very helpful for optimizing the purification process of tebuconazole.

Solubility determination and thermodynamic functions of 2-chlorophenothiazine in nine organic solvents from T = 283.15 K to T = 318.15 K and mixing properties of solutions

Solubility of 2-chlorophenothiazine in nine organic solvents including methanol, ethanol, isopropanol, n-propanol, ethyl acetate, acetone, acetonitrile, 1-butanol and 2-butanone was determined experimentally by the isothermal saturation method over a temperature range from T=283.15K to T=318.15K under 101.1kPa. Within the studied temperature range, the mole fraction solubility of 2-chlorophenothiazine in these solvents increased with a rise of temperature. Except for the solvent of acetonitrile, they follow the order of 2-butanone>(acetone, ethyl acetate)>methanol>ethanol>n-propanol>isopropanol>1-butanol. The solubility in ethyl acetate and acetonitrile had the strongest positive dependency on temperature. The determined solubility of 2-chlorophenothiazine in the solvents studied was correlated by using the modified Apelblat equation, Buchowski–Ksiazaczak λh equation, Wilson model and NRTL model. The maximum values of root-mean-square deviation (RMSD) and relative average deviation (RAD) were 2.77×10−4 and 0.59%, respectively. In general, the four thermodynamic models were all satisfactory for describing the solubility of 2-chlorophenothiazine, and the Wilson model can correlate the experimental solubility best based on the result of Akaike Information Criterion analysis. Furthermore, the mixing properties including the mixing Gibbs energy, mixing enthalpy, mixing entropy, activity coefficient at infinitesimal concentration (γ1∞) and reduced excess enthalpy (H1E,∞) were computed. The findings will be very useful in optimizing the purification process of 2-chlorophenothiazine.

Solubility determination and thermodynamic modelling for 2-amino-4-chlorobenzoic acid in eleven organic solvents from T = (278.15 to 313.15) K and mixing properties of solutions

The solubility of 2-amino-4-chlorobenzoic acid in eleven organic solvents including N-methyl-2-pyrrolidone, ethanol, n-propanol, isopropanol, ethyl benzene, toluene, n-butanol, acetonitrile, ethyl acetate, 1,4-dioxane and acetone were determined experimentally using the isothermal saturation method over a temperature range from (278.15 to 313.15) K under 101.2kPa. Within the temperature range studied, the mole fraction solubility of 2-amino-4-chlorobenzoic acid in the solvents increased with a rise of temperature. On the whole, they obeyed the following order from high to low in the selected solvents: N-methyl-2-pyrrolidone>acetone>1, 4-dioxane>ethyl acetate>ethanol>isopropanol>n-propanol>n-butanol>acetonitrile>toluene>ethyl benzene. The solubility values obtained for 2-amino-4-chlorobenzoic acid were correlated with the modified Apelblat equation, λh equation, Wilson model and NRTL model. The largest values of root-mean-square deviation (RMSD) and relative average deviation (RAD) were 8.25×10−4 and 3.35%, respectively. The modified Apelblat equation correlated the experimental solubility best on the basis of the result of AIC analysis. Furthermore, the mixing Gibbs energy, mixing enthalpy, mixing entropy, activity coefficient (γ1∞) and reduced excess enthalpy (H1E,∞) at infinitesimal concentration were determined. Solubility and thermodynamic studies are very important for optimizing the purification process of 2-amino-4-chlorobenzoic acid.

Solubility determination and thermodynamic modeling of paclobutrazol in nine organic solvents from T = (278.15 to 318.15) K and mixing properties of solutions

The mole fraction solubility of paclobutrazol ((R,R) and (S,S)) mixture in nine pure solvents including ethanol, isopropanol, n-propanol, 1-butanol, ethyl acetate, toluene, acetone, acetonitrile and 1,4-dioxane was determined experimentally by using the isothermal saturation method over a temperature range from (278.15 to 318.15)K under atmospheric pressure. The mole fraction solubility of paclobutrazol in the selected solvents increased with a rise of temperature. In general, at a certain temperature, they decreased according to the following order in different solvents except for ethyl acetate: toluene>1,4-dioxane>acetone>1-butanol>n-propanol>ethanol>isopropanol>acetonitrile. The paclobutrazol solubility showed stronger dependency on temperature in ethyl acetate than in the other solvents. The solubility determined for paclobutrazol in the selected solvents was correlated with the modified Apelblat equation, λh equation, Wilson model and NRTL model. The maximum values of root-mean-square deviation (RMSD) and relative average deviation (RAD) were 3.98×10−4 and 1.53%, respectively. On the whole, the four thermodynamic models were all acceptable for describing the systems of paclobutrazol in these solvents. Furthermore, the mixing Gibbs energy, mixing enthalpy, mixing entropy, activity coefficient at infinitesimal concentration (γ1∞) and reduced excess enthalpy (H1E,∞) were obtained. The mixing process of paclobutrazol was spontaneous and exothermic in the solvents studied. The solubility determined and the thermodynamic properties derived should be very helpful for optimizing the purification process of paclobutrazol.

Solubility determination and thermodynamic modelling of 3-amino-1,2,4-triazole in ten organic solvents from T = 283.15 K to T = 318.15 K and mixing properties of solutions

The solubility of 3-amino-1,2,4-triazole in ten organic solvents including ethanol, isopropanol, n-propanol, methanol, ethyl acetate, acetone, acetonitrile, 1,4-dioxane, N-methyl-2-pyrrolidone and 2-butanone was determined experimentally by the isothermal saturation method over a temperature range from T=283.15K to T=318.15K under 101.1kPa. For the studied temperature range, the solubility of 3-amino-1,2,4-triazole in mole fraction in the solvents increased with a rise of temperature. On the whole, they obeyed the following order from high to low in different solvents: N-methyl-2-pyrrolidone>methanol>ethanol>n-propanol>(isopropanol, acetone)>1,4-dioxane>2-butanone>(ethyl acetate, acetonitrile). The determined solubility results of 3-amino-1,2,4-triazole in the solvents studied were correlated using the modified Apelblat equation, Buchowski–Ksiazaczak λh equation, Wilson model and NRTL model. The maximum values of root-mean-square deviation (RMSD) and relative average deviation (RAD) were 9.45×10−4 and 2.16%, respectively. In general, the four thermodynamic models were all acceptable for describing the solubility behaviour of 3-amino-1,2,4-triazole in these solvents. Furthermore, the mixing properties including the mixing Gibbs energy, mixing enthalpy, mixing entropy, activity coefficient at infinitesimal concentration (γ1∞) and reduced excess enthalpy (H1E,∞) were acquired. The solution process of 3-amino-1,2,4-triazole was spontaneous and favourable in the selected solvents. The solubility values obtained and the thermodynamic studies would be very useful for optimizing the purification process of 3-amino-1,2,4-triazole.

Thermodynamic modelling for solubility of 4-nitrobenzaldehyde in different solvents at temperature range from (273.15 to 313.15) K and mixing properties of solutions

In this work, the solubility of 4-nitrobenzaldehyde in methanol, ethanol, isopropanol, n-butanol, acetone, ethyl acetate, acetonitrile, 2-butanone, N,N-dimethylformamide, n-propanol and toluene was determined with the isothermal saturation method at the temperatures ranging from (273.15 to 313.15)K under atmosphere pressure. The mole fraction solubility increased with increasing temperature and obeyed the following order from high to low in the selected solvents except for acetonitrile: N,N-dimethylformamide>acetone>2-butanone>ethyl acetate>methanol>toluene>ethanol>n-propanol>n-butanol>isopropanol. The results correlated with four models, which corresponded to the Apelblat equation, λh equation, Wilson model and NRTL model. The largest value of root-mean-square deviation (RMSD) was 11.53×10−4, and relative average deviation (RAD), 2.36%. The four thermodynamic models could all be employed to correlate the mole fraction solubility of 4-nitrobenzaldehyde in the selected solvents under studied conditions. In addition, the mixing Gibbs energy, mixing enthalpy, mixing entropy, activity coefficient at infinitesimal concentration (γ1∞) and reduced excess enthalpy (H1E,∞) were computed. The mixing process of 4-nitrobenzaldehyde in the solvents was spontaneous and endothermic. The acquired solubility and thermodynamic studies would be very helpful for optimizing the purification process and further study of 4-nitrobenzaldehyde.