Solubility and Mixing Thermodynamic Properties of Triclabendazole in 14 Neat Solvents at Elevated Temperatures from 278.15 to 318.15 K

Abstract

The triclabendazole solubility in 14 pure solvents including methanol, 1,2-dichloroethane (1,2-DCE), ethanol, n-butyl acetate, n-propanol, ethyl formate, isopropanol, n-butanol, isobutanol, ethyl acetate, acetonitrile, ethylene glycol (EG), n-propyl acetate, and n-pentyl acetate was experimentally obtained in the current research by means of the shake-flask equilibration technique at elevated temperatures from 278.15 to 318.15 K and pressure p = 101.2 kPa. With increasing temperatures, the values of the mole fraction solubility of drug triclabendazole presented a monotonic increase in tendency, and the following decreasing trend in the 14 solvents: (n-butanol, n-pentyl acetate) > n-butyl acetate > n-propyl acetate > ethyl acetate > n-propanol > ethanol > ethyl formate > isobutanol > methanol > isopropanol > 1,2-DCE > acetonitrile > EG. Two semi-empirical equations (Apelblat equation and λh equation) and two activity coefficient models (Wilson model and NRTL model) were utilized to associate the determined solubility data. The obtained maximum root-mean-square deviation and relative average deviation were, respectively, 2.31 × 10–4 and 1.41 × 10–2. In general, the Apelblat equation presented lower deviations compared with the other relationships for a specific pure solvent. Also, the mixing thermodynamic functions, reduced excess enthalpy, and infinite dilution activity coefficient were obtained from the Wilson model.

Solubility, Thermodynamic Parameters, and Dissolution Properties of 17-α Hydroxyprogesterone in 13 Pure Solvents

“…According to the solid–liquid equilibrium theory and solute activity coefficient, , this formula provides excellent performance for many liquid solvents. , The activity coefficient can be calculated by eq : ln nobreak0em0.25em⁡ γ i x i = Δ fus H R true( 1 T normalm − 1 T true) where x 1 and x 2 represent the mole fractions of solute and the selected solvents, respectively, for a pure solvent system: , ln nobreak0em0.25em⁡ γ 1 = x 2 2 [ τ 21 G 21 2 false( x 1 + x 2 G 21 false) 2 + τ 12 G 12 2 false( x 2 + x 2 G 12 false) 2 ] G ij = exp ( − α italicij τ italicij ) α ij = prefix− α ji = α τ…”

“…NRTL Model. According to the solid−liquid equilibrium theory and solute activity coefficient, 38,39 this formula provides excellent performance for many liquid solvents. 40,41 The activity coefficient can be calculated by eq 28:…”

“…According to the solid–liquid equilibrium theory and solute activity coefficient, 38 , 39 this formula provides excellent performance for many liquid solvents. 40 , 41 The activity coefficient can be calculated by eq 28 : where x 1 and x 2 represent the mole fractions of solute and the selected solvents, respectively, for a pure solvent system: 42 , 43 where Δ g ij denotes the cross-interaction energy of solute and solvent molecules, R refers to the gas constant (8.314 J·mol –1 ·K –1 ), and α reveals the nonrandomness of the system which is an adjustable constant.…”

Solid–Liquid Phase Equilibrium of 2-Mercapto-1,3,4-thiadiazol in Pure Organic Solvents

“…Based on the solid–liquid phase equilibrium theory and the activity coefficient of solute, , the activity coefficient can be calculated by eq where x 1 and x 2 represent the mole fractions of the solute and the selected solvents, respectively. For a pure solvent system where Δ g ij denotes the cross-interaction energy of the solute and solvent molecules and α is the nonrandom parameter.…”

“…Based on the solid−liquid phase equilibrium theory and the activity coefficient of solute, 21,22 the activity coefficient can be calculated by eq 5…”