Benchmark Values: Thermochemistry of the Ionic Liquid [C4Py][Cl]

Abstract

Differential scanning calorimetry (DSC) was used for the determination of the reaction enthalpy of the synthesis of the ionic liquid [C4Py][Cl] from pyridine and butyl chloride. A combination of DSC results with quantum chemical calculations presents an indirect technique to obtain enthalpy of vaporization of [C4Py][Cl]. In order to ascertain this indirect value, we used thermal gravimetric analysis (TGA) to derive enthalpy of vaporization directly from the isothermal mass-loss measurements. This new procedure was additionally validated with molecular dynamics (MD) simulations.