Theoretical investigation of imidazolium based ionic liquid/alcohol mixture: a molecular dynamic simulation was written by Jahangiri, S.;Taghikhani, M.;Behnejad, H.;Ahmadi, S. J.. And the article was included in Molecular Physics in 2008.COA of Formula: C7H13ClN2 This article mentions the following:
In this work, mol. dynamic simulation of the mixture of imidazolium based ionic liquids with alcs. is implemented in order to investigate mixing excess properties and some structural and phys. properties of the mixture Excess volumes and enthalpies are evaluated for 11 different mole fractions of ionic liquids at each 0.1, in the range of 0 to 1. Radial distribution function, cohesive energy d., potential of mean force, solvation energy, and diffusion coefficient are reported and analyzed. The effects of the cationic alkyl chain length, in comparison with changes of the anions, on these properties are reported. Results reveal that the methanol mol. participates with its hydrophilic characteristics in the mixing process and tends to aggregate around anion part of the ionic liquids, especially in the case of Cl. In the experiment, the researchers used many compounds, for example, 1-Methyl-3-propylimidazolium Chloride (cas: 79917-89-8COA of Formula: C7H13ClN2).
1-Methyl-3-propylimidazolium Chloride (cas: 79917-89-8) belongs to imidazole derivatives. Many natural products, especially alkaloids, contain the imidazole ring. These imidazoles share the 1,3-C3N2 ring but feature varied substituents. Imidazole derivatives have antibacterial, antifungal and anticancer functionality. It interacts with DNA and also binds to protein and stops cell division.COA of Formula: C7H13ClN2
Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem