Solubility Modeling and Mixing Thermodynamics of Thiamphenicol in Water and Twelve Neat Organic Solvents from T = (278.15 to 318.15) K

Abstract

The solid−liquid equilibrium for thiamphenicol in 13 neat solvents (ethanol, methanol, n-propanol, isopropyl alcohol, n-butanol, acetone, acetonitrile, ethyl acetate, 2-butanone, toluene, water, N,Ndimethylformamide, and 1,4-dioxane) was built with the static method at temperatures T = (278.15 to 318.15) K under pressure of 101.2 kPa, and the thiamphenicol solubilities in the selected solvents were measured by using high-performance liquid chromatography. Generally, the solubility data in mole fraction in the selected solvents ranked as N,N-dimethylformamide > acetone > methanol >1,4-dioxane >2-butanone > ethanol > acetonitrile > ethyl acetate > n-propanol > isopropyl alcohol > water > n-butanol > toluene. The nonrandom two-liquid model, Wilson model, modified Apelblat equation, and λh equation were employed to describe the solubility behavior of thiamphenicol in theses solvents. The maximum values of the RMSD and RAD were 4.08 × 10 −4 and 2.02%, respectively, and the correlation results by using the modified Apelblat equation were best among the studied models. Additionally, the mixing properties, activity coefficient at infinitesimal concentration and reduced excess enthalpy were derived.

Application of a General Computer Algorithm Based on the Group-Additivity Method for the Calculation of Two Molecular Descriptors at Both Ends of Dilution: Liquid Viscosity and Activity Coefficient in Water at Infinite Dilution

“…In addition, only values have been considered which have been measured at or reduced to 298.15 K. Primary sources of experimental data have been the collective reports mentioned earlier [8,9]. Additional data have been found for 1-propoxypropan-2-ol [73], several alkyl and alkenyl alcohols and alkylbenzenes [74], valeric and crotonic aldehyde [75], variously substituted benzoic acids [76,77], naphthoic acids [78,79], isatin [80], 2-cyanoguanidine [81], florfenicol [82], thiamphenicol [83] and various sulfonamides [84,85]. In total, the number of compounds with experimental log(γ) ∞ data amounted to 709, of which 34 turned out to be outliers (a list of them is available in the Supplementary Materials), as their experimental values differed by more than three times the cross-validated standard error from prediction.…”

Solubility, Three-Dimensional Hansen Solubility Parameters, and Solution Thermodynamics of 3,3′-Diaminodiphenyl Sulfone in 14 Neat Solvents from 283.15 to 328.15 K

“…The infinite-dilution activity coefficient (γ 1 ∞ ) and reduced excess enthalpy ( H 1 E, ∞ ) are estimated by − …”

Solubility of 5-Fluorocytosine in Different Pure and Binary Mixed Solvents: Measurement, Model Correlation, Solvent Effect, and Preferential Solvation

“…Thus, dosage forms and crystal forms of drugs have a great influence on their efficacy and bioavailability. Different drug dosage forms or crystal forms have different curative effects on disease treatment . Even one crystal form of the same drug has a therapeutic effect, and the other will produce a side effect.…”

“…Different drug dosage forms or crystal forms have different curative effects on disease treatment. 12 Even one crystal form of the same drug has a therapeutic effect, and the other will produce a side effect. As known to all, solubility plays an important role in pharmaceutical science and industry.…”