LAUSR

Abstract The cyhalothric acid (CTA), an important intermediate for the production of pyrethroids, was selected to obtain its solubility data in eleven pure solvents using gravimetric method from 283.15 K to 323.15 K. Among the alcohol solvents, methanol with the largest polarity has the lowest solubility and tert-butanol has the strongest solubility. Three ester solvents have similar solvency to CTA. The physicochemical properties of solvents and radial distribution function (RDF) analysis based on molecular dynamic (MD) simulation were further employed to interpret the difference of solubility. Moreover, the experimental solubility of CTA in pure solvents was well correlated by modified Apelblat equation, λh equation and the NRTL (nonrandom two-liquid) model, respectively, in which the modified Apelblat equation achieved the best fitting. The mixing properties (enthalpy, Gibbs energy and entropy) were also determined and the results show that mixing process is spontaneous and entropy-driven.