Experimental and theoretical study on the synthesis and thermophysical properties of newer tricationic ionic liquids

•Nineteen linear symmetric tricationic ionic liquids (LSTIL) have been synthetized using an imidazolium-based core and functionalized by amines (organic cation) as morpholine, N,N-dimethyl amino pyridine, N-methylimidazole, N-methyl piperazine.•Their physicochemical properties study was carried out using DFT and MD simulation.•The LSTILs are insoluble in non-polar solvents, and their affinity is predominant in solvents with high dipole moments such as water, alcohols, and ketones.•The lattice energy values show a tendency towards the formation of stable ionic compounds because electrostatic interactions have a predominant effect on the lattice formation.•These compounds are highly viscous, which depending on the structure have acidic and basic pH.