ABSTRACT

The heat capacities in the temperature range (5 to 370) K and the parameters of solid-phase transitions and fusion were determined for three [Cnmim][NTf2] (n = 10, 14, 16) ILs. The temperature-dependent vapour pressures of [C14mim][NTf2] and [C16mim][NTf2] were measured with a Knudsen effusion apparatus combined with a quartz crystal microbalance. Thermodynamic properties of these compounds in the crystal, liquid, and gas states were derived from the obtained data. The results obtained in this work were combined to those available in the literature for the short-chain homologues to discuss regularities in thermodynamic properties of the series. While some properties demonstrate simple linear dependence on the alkyl chain length, a more complicated behaviour with strong non-linearity or a break at n = 6 is observed for others.

Compounds

#	Formula	Name
1	C16H27F6N3O4S2	1-decyl-3-methylimidazolium bis(trifluoromethylsulfonyl)amide
2	C20H35F6N3O4S2	1-tetradecyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide
3	C22H39F6N3O4S2	3-hexadecyl-1-methyl-1H-imidazolium bis((trifluoromethyl)sulfonyl)amide

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	Triple point temperature, K ; Crystal 2			Crystal 2 Crystal 1 Gas	Adiabatic calorimetry	1
POMD	1	Triple point temperature, K ; Crystal 1			Crystal 1 Liquid Gas	Adiabatic calorimetry	1
POMD	1	Molar enthalpy of transition or fusion, kJ/mol ; Crystal 2			Crystal 2 Crystal 1 Gas	Adiabatic calorimetry	1
POMD	1	Molar enthalpy of transition or fusion, kJ/mol ; Crystal 1			Crystal 1 Liquid Gas	Adiabatic calorimetry	1
POMD	1	Molar heat capacity at constant pressure, J/K/mol ; Metastable crystal	Temperature, K; Metastable crystal	Pressure, kPa; Metastable crystal	Metastable crystal	Small (less than 1 g) adiabatic calorimetry	26
POMD	1	Molar entropy, J/K/mol ; Metastable crystal	Temperature, K; Metastable crystal	Pressure, kPa; Metastable crystal	Metastable crystal	Small (less than 1 g) adiabatic calorimetry	26
POMD	1	Molar enthalpy function {Hm(T)-Hm(0)}/T, J/K/mol ; Metastable crystal	Temperature, K; Metastable crystal	Pressure, kPa; Metastable crystal	Metastable crystal	Small (less than 1 g) adiabatic calorimetry	26
POMD	1	Molar heat capacity at constant pressure, J/K/mol ; Crystal 2	Temperature, K; Crystal 2	Pressure, kPa; Crystal 2	Crystal 2	Small (less than 1 g) adiabatic calorimetry	29
POMD	1	Molar entropy, J/K/mol ; Crystal 2	Temperature, K; Crystal 2	Pressure, kPa; Crystal 2	Crystal 2	Small (less than 1 g) adiabatic calorimetry	29
POMD	1	Molar enthalpy function {Hm(T)-Hm(0)}/T, J/K/mol ; Crystal 2	Temperature, K; Crystal 2	Pressure, kPa; Crystal 2	Crystal 2	Small (less than 1 g) adiabatic calorimetry	29
POMD	1	Molar heat capacity at constant pressure, J/K/mol ; Crystal 1	Temperature, K; Crystal 1	Pressure, kPa; Crystal 1	Crystal 1	Small (less than 1 g) adiabatic calorimetry	5
POMD	1	Molar entropy, J/K/mol ; Crystal 1	Temperature, K; Crystal 1	Pressure, kPa; Crystal 1	Crystal 1	Small (less than 1 g) adiabatic calorimetry	5
POMD	1	Molar enthalpy function {Hm(T)-Hm(0)}/T, J/K/mol ; Crystal 1	Temperature, K; Crystal 1	Pressure, kPa; Crystal 1	Crystal 1	Small (less than 1 g) adiabatic calorimetry	5
POMD	1	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Small (less than 1 g) adiabatic calorimetry	12
POMD	1	Molar entropy, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Small (less than 1 g) adiabatic calorimetry	12
POMD	1	Molar enthalpy function {Hm(T)-Hm(0)}/T, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Small (less than 1 g) adiabatic calorimetry	12
POMD	1	Molar heat capacity at constant pressure, J/K/mol ; Metastable crystal	Temperature, K; Metastable crystal	Pressure, kPa; Metastable crystal	Metastable crystal	Small (less than 1 g) adiabatic calorimetry	132
POMD	1	Molar heat capacity at constant pressure, J/K/mol ; Crystal 2	Temperature, K; Crystal 2	Pressure, kPa; Crystal 2	Crystal 2	Small (less than 1 g) adiabatic calorimetry	145
POMD	1	Molar heat capacity at constant pressure, J/K/mol ; Crystal 1	Temperature, K; Crystal 1	Pressure, kPa; Crystal 1	Crystal 1	Small (less than 1 g) adiabatic calorimetry	13
POMD	1	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Small (less than 1 g) adiabatic calorimetry	71
POMD	2	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid		Liquid Gas	Calculated from knudsen effusion weight loss	7
POMD	2	Triple point temperature, K ; Crystal 2			Crystal 2 Crystal 1 Gas	Adiabatic calorimetry	1
POMD	2	Triple point temperature, K ; Crystal 1			Crystal 1 Liquid Gas	Adiabatic calorimetry	1
POMD	2	Molar enthalpy of transition or fusion, kJ/mol ; Crystal 2			Crystal 2 Crystal 1 Gas	Adiabatic calorimetry	1
POMD	2	Molar enthalpy of transition or fusion, kJ/mol ; Crystal 1			Crystal 1 Liquid Gas	Adiabatic calorimetry	1
POMD	2	Molar heat capacity at constant pressure, J/K/mol ; Crystal 2	Temperature, K; Crystal 2	Pressure, kPa; Crystal 2	Crystal 2	Small (less than 1 g) adiabatic calorimetry	35
POMD	2	Molar entropy, J/K/mol ; Crystal 2	Temperature, K; Crystal 2	Pressure, kPa; Crystal 2	Crystal 2	Small (less than 1 g) adiabatic calorimetry	35
POMD	2	Molar enthalpy function {Hm(T)-Hm(0)}/T, J/K/mol ; Crystal 2	Temperature, K; Crystal 2	Pressure, kPa; Crystal 2	Crystal 2	Small (less than 1 g) adiabatic calorimetry	35
POMD	2	Molar heat capacity at constant pressure, J/K/mol ; Crystal 1	Temperature, K; Crystal 1	Pressure, kPa; Crystal 1	Crystal 1	Small (less than 1 g) adiabatic calorimetry	4
POMD	2	Molar entropy, J/K/mol ; Crystal 1	Temperature, K; Crystal 1	Pressure, kPa; Crystal 1	Crystal 1	Small (less than 1 g) adiabatic calorimetry	4
POMD	2	Molar enthalpy function {Hm(T)-Hm(0)}/T, J/K/mol ; Crystal 1	Temperature, K; Crystal 1	Pressure, kPa; Crystal 1	Crystal 1	Small (less than 1 g) adiabatic calorimetry	4
POMD	2	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Small (less than 1 g) adiabatic calorimetry	8
POMD	2	Molar entropy, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Small (less than 1 g) adiabatic calorimetry	8
POMD	2	Molar enthalpy function {Hm(T)-Hm(0)}/T, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Small (less than 1 g) adiabatic calorimetry	8
POMD	2	Molar heat capacity at constant pressure, J/K/mol ; Crystal 2	Temperature, K; Crystal 2	Pressure, kPa; Crystal 2	Crystal 2	Small (less than 1 g) adiabatic calorimetry	238
POMD	2	Molar heat capacity at constant pressure, J/K/mol ; Crystal 1	Temperature, K; Crystal 1	Pressure, kPa; Crystal 1	Crystal 1	Small (less than 1 g) adiabatic calorimetry	15
POMD	3	Triple point temperature, K ; Crystal 2			Crystal 2 Crystal 1 Gas	Adiabatic calorimetry	1
POMD	3	Triple point temperature, K ; Crystal 1			Crystal 1 Liquid Gas	Adiabatic calorimetry	1
POMD	3	Molar enthalpy of transition or fusion, kJ/mol ; Crystal 2			Crystal 2 Crystal 1 Gas	Adiabatic calorimetry	1
POMD	3	Molar enthalpy of transition or fusion, kJ/mol ; Crystal 1			Crystal 1 Liquid Gas	Adiabatic calorimetry	1
POMD	3	Molar heat capacity at constant pressure, J/K/mol ; Crystal 2	Temperature, K; Crystal 2	Pressure, kPa; Crystal 2	Crystal 2	Small (less than 1 g) adiabatic calorimetry	37
POMD	3	Molar entropy, J/K/mol ; Crystal 2	Temperature, K; Crystal 2	Pressure, kPa; Crystal 2	Crystal 2	Small (less than 1 g) adiabatic calorimetry	37
POMD	3	Molar enthalpy function {Hm(T)-Hm(0)}/T, J/K/mol ; Crystal 2	Temperature, K; Crystal 2	Pressure, kPa; Crystal 2	Crystal 2	Small (less than 1 g) adiabatic calorimetry	37
POMD	3	Molar heat capacity at constant pressure, J/K/mol ; Crystal 1	Temperature, K; Crystal 1	Pressure, kPa; Crystal 1	Crystal 1	Small (less than 1 g) adiabatic calorimetry	3
POMD	3	Molar entropy, J/K/mol ; Crystal 1	Temperature, K; Crystal 1	Pressure, kPa; Crystal 1	Crystal 1	Small (less than 1 g) adiabatic calorimetry	3
POMD	3	Molar enthalpy function {Hm(T)-Hm(0)}/T, J/K/mol ; Crystal 1	Temperature, K; Crystal 1	Pressure, kPa; Crystal 1	Crystal 1	Small (less than 1 g) adiabatic calorimetry	3
POMD	3	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Small (less than 1 g) adiabatic calorimetry	7
POMD	3	Molar entropy, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Small (less than 1 g) adiabatic calorimetry	7
POMD	3	Molar enthalpy function {Hm(T)-Hm(0)}/T, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Small (less than 1 g) adiabatic calorimetry	7
POMD	3	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid		Liquid Gas	Calculated from knudsen effusion weight loss	6
POMD	3	Molar heat capacity at constant pressure, J/K/mol ; Crystal 2	Temperature, K; Crystal 2	Pressure, kPa; Crystal 2	Crystal 2	Small (less than 1 g) adiabatic calorimetry	188
POMD	3	Molar heat capacity at constant pressure, J/K/mol ; Crystal 1	Temperature, K; Crystal 1	Pressure, kPa; Crystal 1	Crystal 1	Small (less than 1 g) adiabatic calorimetry	26
POMD	3	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Small (less than 1 g) adiabatic calorimetry	53

Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Thermodynamics of long-chain 1-alkyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide ionic liquids

Paulechka, E.[Eugene], Blokhin, A. V.[Andrey V.], Rodrigues, A. S. M. C.[Ana S. M. C.], Rocha, M. A. A.[Marisa A. A.], Santos, L. M. N. B. F.[Luis M. N. B. F.]

ABSTRACT