10.1021/acs.iecr.6b02417.s001 Alexandr Ostonen Alexandr Ostonen Justine Bervas Justine Bervas Petri Uusi-Kyyny Petri Uusi-Kyyny Ville Alopaeus Ville Alopaeus Dzmitry H. Zaitsau Dzmitry H. Zaitsau Vladimir N. Emel’yanenko Vladimir N. Emel’yanenko Christoph Schick Christoph Schick Alistair W. T. King Alistair W. T. King Jussi Helminen Jussi Helminen Ilkka Kilpeläinen Ilkka Kilpeläinen Artashes A. Khachatrian Artashes A. Khachatrian Mikhail A. Varfolomeev Mikhail A. Varfolomeev Sergey P. Verevkin Sergey P. Verevkin Experimental and Theoretical Thermodynamic Study of Distillable Ionic Liquid 1,5-Diazabicyclo[4.3.0]non-5-enium Acetate American Chemical Society 2016 enthalpie solution calorimetry methods DSC DBNH DBN Ioncell-F process Theoretical Thermodynamic Study 2016-08-18 00:00:00 Journal contribution https://acs.figshare.com/articles/journal_contribution/Experimental_and_Theoretical_Thermodynamic_Study_of_Distillable_Ionic_Liquid_1_5-Diazabicyclo_4_3_0_non-5-enium_Acetate/3844056 A thermochemical study of the protic ionic liquid 1,5-diazabicyclo­[4.3.0]­non-5-enium acetate ([DBNH]­[OAc]), a prospective cellulose solvent considered for the Ioncell-F process, was carried out. The heat capacities of 1,5-diazabicyclo[4.3.0]­non-5-ene (DBN) and [DBNH]­[OAc] were measured by differential scanning calorimetry (DSC) at 223–323 and 273–373 K temperature ranges, respectively. The enthalpies of fusion and synthesis reaction of [DBNH]­[OAc] were measured by DSC and reaction calorimetry, respectively. The gas-, liquid-, and solid-phase enthalpies of formation of [DBNH]­[OAc] and DBN were determined using calorimetric and computational methods. The enthalpy of vaporization of [DBNH]­[OAc] was estimated from the formation enthalpies. The activity coefficients at infinite dilution of 17 and the enthalpies of solution at infinite dilution of 25 organic solutes in [DBNH]­[OAc] were measured by gas chromatography and solution calorimetry methods, respectively. The obtained data will be used in the design and optimization of the Ioncell-F process.