ABSTRACT

This work focuses on thermal study (melting, freezing, cold crystallization and glass transition temperatures have been determined) and on determination of heat capacities (in the temperature range from 293.15K to 333.15K) of several ionic liquids using differential scanning calorimetry. In order to study the effect of the anion and the alkyl-side chain of the cation of the ionic liquids on the thermal behavior and on the heat capacities values, the ionic liquids: 1-alkyl-3- methylpyrrolidinium bis(trifluoromethylsulfonyl)imide [CnMpyrNTf2 (n = 2,3,4)], 1-butyl-3- methylpyrrolidinium trifluoromethanesulfonate (C4MpyrTFO), and 1-butyl-3- methylpyrrolidinium dicyanamide (C4MpyrDCA) were chosen. Besides, in order to analyze the influence of the anion of the ionic liquid on the heat capacity, the results obtained in this study were compared with those obtained in our previous work (for the CnMpyNTf2 and CnMimNTf2 ionic liquids). Finally, the obtained results were compared with literature values.

Compounds

#	Formula	Name
1	C9H16F6N2O4S2	1-ethyl-1-methylpyrrolidinium bis[(trifluoromethyl)sulfonyl]imide
2	C10H18F6N2O4S2	1-methyl-1-propylpyrrolidinium bis[(trifluoromethyl)sulfonyl]imide
3	C11H20F6N2O4S2	1-butyl-1-methylpyrrolidinium bis[(trifluoromethyl)sulfonyl]imide
4	C11H20N4	1-butyl-1-methylpyrrolidinium dicyanamide
5	C9H18F3NO3S	1-methyl-1-propylpyrrolidinium triflate

Datasets

The table above is generated from the ThermoML associated json file (link above). POMD and RXND refer to PureOrMixture and Reaction Datasets. The compound numbers are included in properties, variables, and phases, if specificied; the numbers refer to the table of compounds on the left.
Type	Compound-#	Property	Variable	Constraint	Phase	Method	#Points
POMD	1	Normal melting temperature, K ; Crystal 1			Crystal 1 Liquid Air at 1 atmosphere	DTA	1
POMD	1	Triple point temperature, K ; Crystal 2			Crystal 2 Crystal 1 Air at 1 atmosphere	DSC	1
POMD	1	Triple point temperature, K ; Crystal 3			Crystal 3 Crystal 2 Air at 1 atmosphere	DSC	1
POMD	1	Triple point temperature, K ; Crystal 4			Crystal 4 Crystal 3 Air at 1 atmosphere	DSC	1
POMD	2	Normal melting temperature, K ; Crystal 1			Crystal 1 Liquid Air at 1 atmosphere	DTA	1
POMD	2	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	DSC	31
POMD	3	Normal melting temperature, K ; Crystal			Crystal Liquid Air at 1 atmosphere	DTA	1
POMD	3	Normal melting temperature, K ; Metastable crystal			Metastable crystal Liquid Air at 1 atmosphere	DTA	1
POMD	3	Triple point temperature, K ; Glass			Glass Liquid Air at 1 atmosphere	DSC	1
POMD	3	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	DSC	41
POMD	4	Triple point temperature, K ; Glass			Glass Liquid Air at 1 atmosphere	DSC	1
POMD	4	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	DSC	41
POMD	5	Normal melting temperature, K ; Crystal 1			Crystal 1 Liquid Air at 1 atmosphere	DTA	1
POMD	5	Triple point temperature, K ; Crystal 2			Crystal 2 Crystal 1 Air at 1 atmosphere	DSC	1
POMD	5	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	DSC	41

Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Thermal behavior and heat capacities of pyrrolidinium-based ionic liquids by DSC

Gomez, E.[Elena], Calvar, N.[Noelia], Dominguez, A.[Angeles], Macedo, E. A.[Eugenia A.]

ABSTRACT