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

Abstract

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 (Δ mix G), molar enthalpy (Δ mix H), and molar entropy (Δ mix S). 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.

Solubility Determination and Thermodynamic Correlation for Terbinafine Hydrochloride in Several Mono-solvents from 283.15 to 323.15 K

“…The Wilson model is one of the activity coefficient models, which is the application of the properties of mixed systems in equilibrium solutions. ,, The model considers the influence of temperature on the activity coefficient and has semi-theoretical physical significance. The model is expressed as eq . ln ( x i ) = normalΔ normalf normalu normals H R ( 1 T m − 1 T ) − ln ( γ i ) where R is the molar gas constant.…”

Crystallization Thermodynamics of α-Lactose Monohydrate in Different Solvents

“…The solubility of α-LM was carried out in 15 mono-solvents (methanol, ethanol, 1propanol, isopropanol, 1-butanol, 2-butanol, isobutanol, 1-pentanol, isoamylol, 1-hexanol, 1-heptanol, 1-octanol, propanoic acid, acetonitrile, and cyclohexanone) from 274.05 K to 323.05 K according to [19]. For the method, excess α-LM was added to a 250 mL jacketed glass vessel containing about 100 mL of the above solvent.…”

“…The calculation of the thermodynamics of the dissolution of α-LM in selected solvents will guide its production applications, and the dissolution thermodynamic properties were described by the changes of Gibbs energy (G), enthalpy (S), and entropy (H) of the α-LM in the dissolution process. Such as ∆ dis H can help to determine the energy exchanged in the crystallization system, ∆ dis S can help to determine the degree of confusion in the system, ∆ dis G can help to determine the difficulty of spontaneity and driving force of the process, which can be described as four stages: heating, melting, cooling, and mixing [45,46], expressed as Equation (19).…”

“…Herein, M can be S, H, and G, representing entropy, enthalpy, and Gibbs energy, respectively; M E represents the excess property; ∆ mix M id is the thermodynamic property of mixing in the ideal solution, which can be calculated as Equations ( 21)- (23), respectively [19,48].…”