Name: ThermoML Representation of Published Experimental Data from Journal of Chemical Thermodynamics (0021-9614, Elsevier)
Creator: Thermodynamics Research Center
License: https://www.nist.gov/open/license

ABSTRACT

Heat capacities and enthalpies of phase transitions for a series of 1-alkyl-3-methylimidazolium bromide ionic liquids have been measured by adiabatic calorimetry. Thermodynamic properties of the compounds were calculated in the temperature range of (5 to 370) K. Water was found to have an additive contribution to the heat capacities of [C4mim]Br in the liquid state above Tfus and in the solid state below 160 K at w(H2O) 5 * 10-3.

Compounds

#	Formula	Name
1	H2O	water
2	C6H11BrN2	1-ethyl-3-methylimidazolium bromide
3	C8H15BrN2	1-butyl-3-methylimidazolium bromide
4	C7H13BrN2	1-methyl-3-propylimidazolium bromide

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	2	Molar heat capacity at constant pressure, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	SMALLAD:UFactor:2	64
POMD	2	Molar enthalpy of transition or fusion, kJ/mol ; Crystal			Crystal Liquid Gas	Adiabatic calorimetry	1
POMD	2	Triple point temperature, K ; Crystal			Crystal Liquid Gas	Adiabatic calorimetry	1
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	12
POMD	2	Molar heat capacity at constant pressure, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	Small (less than 1 g) adiabatic calorimetry	77
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	4
POMD	2	Molar heat capacity at constant pressure, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	Small (less than 1 g) adiabatic calorimetry	41
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	4
POMD	2	Molar enthalpy function {Hm(T)-Hm(0)}/T, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	Small (less than 1 g) adiabatic calorimetry	41
POMD	2	Molar entropy, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Small (less than 1 g) adiabatic calorimetry	4
POMD	2	Molar entropy, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	Small (less than 1 g) adiabatic calorimetry	42
POMD	3	Molar enthalpy of transition or fusion, kJ/mol ; Crystal			Crystal Liquid Gas	Adiabatic calorimetry	1
POMD	3	Triple point temperature, K ; Crystal			Crystal Liquid Gas	Adiabatic calorimetry	1
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	19
POMD	3	Molar heat capacity at constant pressure, J/K/mol ; Glass	Temperature, K; Glass	Pressure, kPa; Glass	Glass	Small (less than 1 g) adiabatic calorimetry	130
POMD	3	Molar heat capacity at constant pressure, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	Small (less than 1 g) adiabatic calorimetry	177
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	3
POMD	3	Molar heat capacity at constant pressure, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	Small (less than 1 g) adiabatic calorimetry	42
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	3
POMD	3	Molar enthalpy function {Hm(T)-Hm(0)}/T, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	Small (less than 1 g) adiabatic calorimetry	43
POMD	3	Molar entropy, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Small (less than 1 g) adiabatic calorimetry	3
POMD	3	Molar entropy, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	Small (less than 1 g) adiabatic calorimetry	43
POMD	4	Molar enthalpy of transition or fusion, kJ/mol ; Crystal			Crystal Liquid Gas	Adiabatic calorimetry	1
POMD	4	Triple point temperature, K ; Crystal			Crystal Liquid Gas	Adiabatic calorimetry	1
POMD	4	Molar heat capacity at constant pressure, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	Vacuum adiabatic calorimetry	240
POMD	4	Molar enthalpy of transition or fusion, kJ/mol ; Metastable crystal			Metastable crystal Liquid Gas	Adiabatic calorimetry	1
POMD	4	Triple point temperature, K ; Glass			Glass Liquid Gas	Adiabatic calorimetry	1
POMD	4	Triple point temperature, K ; Metastable crystal			Metastable crystal Liquid Gas	Adiabatic calorimetry	1
POMD	4	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	95
POMD	4	Molar heat capacity at constant pressure, J/K/mol ; Glass	Temperature, K; Glass	Pressure, kPa; Glass	Glass	Small (less than 1 g) adiabatic calorimetry	74
POMD	4	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Small (less than 1 g) adiabatic calorimetry	91
POMD	4	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Small (less than 1 g) adiabatic calorimetry	40
POMD	4	Molar heat capacity at saturation pressure, J/K/mol ; Glass	Temperature, K; Glass		Glass Gas	Small (less than 1 g) adiabatic calorimetry	74
POMD	1 3	Molar heat capacity at constant pressure, J/K/mol ; Glass	Temperature, K; Glass	Mass fraction - 1; Glass Pressure, kPa; Glass	Glass	Small (less than 1 g) adiabatic calorimetry	54
POMD	1 3	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid Mass fraction - 1; Liquid	Pressure, kPa; Liquid	Liquid	Small (less than 1 g) adiabatic calorimetry	69
POMD	1 3	Molar heat capacity at constant pressure, J/K/mol ; Crystal	Temperature, K; Crystal Mass fraction - 1; Crystal		Crystal Gas	Small (less than 1 g) adiabatic calorimetry	458

Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Thermodynamic properties of 1-alkyl-3-methylimidazolium bromide ionic liquids

Paulechka, Y. U., Kabo, G. J., Blokhin, A. V., Shaplov, A. S., Lozinskaya, E. I., Vygodskii, Y. S.[Ya. S.]

ABSTRACT