Continuing the the researcher’s success on ionic liquids application in biomedicine, lithium-sodium batteries, and chemical engineering, we try to investigate temperature, cation, and anion contribution in the most important thermodynamic parameters of the 33 metal-containing ionic liquids. Critical parameters, density, thermal expansion coefficient, critical compressibility factor, surface tension, and lattice energy of studied systems carried out based on classical thermodynamic methods and compared by reported experimental data in the literature. Results revealed that 1-hexyl-3-methyl-imidazolium as cation, and tungsten hepta fluoride as anion show a higher contribution in the boiling temperature (Tb) value; in contrast hepta-chlorodialuminate as anion, and 1-hexyl-3-methyl-imidazolium as cation showed the main contribution in Vc (critical volume) respectively. Effect of temperature on density has determined obviously by the first-order polynomial and the proposed method in the present work. 3D graph of surface tension as a function of cation, and anion structure determined the anion group showed the vital influence in surface tension at constant temperature due to the greater polarizability, the lower hydration, and consequently screening the electrostatic repulsion between ionic liquid head groups. Undoubtedly, the provided information in this research is an important help to scientists in choosing the appropriate ionic liquid in specific conditions.
