ABSTRACT

Heat capacities of nine ionic liquids were measured from (293 to 358) K by using a heat flux differential scanning calorimeter. The impact of impurities (water and chloride content) in the ionic liquid was analyzed to estimate the overall uncertainty. The Joback method for predicting ideal gas heat capacities has been extended to ionic liquids by the generation of contribution parameters for three new groups. The principle of corresponding states has been employed to enable the subsequent calculation of liquid heat capacities for ionic liquids, based on critical properties predicted using the modified Lydersen-Joback-Reid method, as a function of the temperature from (256 to 470) K. A relative absolute deviation of 2.9 % was observed when testing the model against 961 data points from 53 different ionic liquids reported previously and measured within this study.

Compounds

#	Formula	Name
1	C8H11F6N3O4S2	1-ethyl-3-methylimidazolium bis((trifluoromethyl)sulfonyl)imide
2	C10H15F6N3O4S2	1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide
3	C12H19F6N3O4S2	1-hexyl-3-methylimidazolium bis[(trifluoromethyl)sulfonyl]imide
4	C14H23F6N3O4S2	1-octyl-3-methylimidazolium bis[(trifluoromethyl)sulfonyl]imide
5	C11H20F6N2O4S2	1-butyl-1-methylpyrrolidinium bis[(trifluoromethyl)sulfonyl]imide
6	C9H15F3N2O3S	1-butyl-3-methylimidazolium trifluoromethanesulfonate
7	C8H16N2O4S	1-ethyl-3-methylimidazolium ethyl sulfate
8	C34H68F6NO4PS2	trihexyl(tetradecyl)phosphonium bis[(trifluoromethyl)sulfonyl]imide
9	C15H20F18NP	1-butyl-1-methylpyrrolidinium tris(pentafluoroethyl)trifluorophosphate
10	H2O	water
11	C8H15ClN2	1-butyl-3-methylimidazolium chloride

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	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Small sample (50 mg) DSC	14
POMD	2	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Small sample (50 mg) DSC	14
POMD	3	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Small sample (50 mg) DSC	14
POMD	4	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Small sample (50 mg) DSC	14
POMD	5	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Small sample (50 mg) DSC	13
POMD	6	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Small sample (50 mg) DSC	14
POMD	7	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Small sample (50 mg) DSC	14
POMD	8	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Small sample (50 mg) DSC	14
POMD	9	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Small sample (50 mg) DSC	14
POMD	10 6	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Mole fraction - 10; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Small sample (50 mg) DSC	4
POMD	11 2	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Mole fraction - 11; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Small sample (50 mg) DSC	4

Thermodynamics Research Center / ThermoML | Journal of Chemical and Engineering Data

Heat Capacities of Ionic Liquids as a Function of Temperature at 0.1 MPa. Measurement and Prediction

Ge, R.[Rile], Hardacre, C.[Christopher], Jacquemin, J.[Johan], Nancarrow, P.[Paul], Rooney, D. W.[David W.]

ABSTRACT