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Two new ionic liquids derived from natural product salicylate, 1-methyl-3-ethylimidazolium salicylate ([Emim][Sal]) and 1,2-dimethyl-3-ethylimidazolium salicylate ([Emmim][Sal]), were synthesized and characterized. The density, surface tension, viscosity, and electrical conductivity of two ionic liquids were determined from 288.15 to 343.15 K. The physico−chemical properties of the ionic liquids were estimated from the experimental data by empiric or semi-empiric methods, such as, coefficients of thermal expansion, molecular volume, standard molar entropy, lattice energy, enthalpy of vaporization, and so on. According to the interstice model of ionic liquids, the interstice parameters like coefficients of thermal expansion and interstice volume etc. were estimated, too. The experimental results and Density Functional Theory (DFT) calculation were employed to discuss the structure characteristics caused by differences of cations/anions for properties of two ionic liquids. And by the Vogel–Fulcher–Tamman (VFT) equation, the temperature dependences of the ILs viscosities and electric conductivities were graphically described. The structures, the energetics and COSMO volumes of all investigated ions are obtained by combining DFT calculations and the COSMO–RS methodology to describe intermolecular interactions of ionic liquids.

Estimation of Physico-Chemical Properties and Structure Characteristics of New Alkylimidazolium Salicylate Ionic Liquids