Name: ThermoML Representation of Published Experimental Data from Fluid Phase Equilibria (0378-3812, Elsevier)
Creator: Thermodynamics Research Center
License: https://www.nist.gov/open/license

ABSTRACT

Molar excess enthalpies of ethanol, 1-propanol, 2-propanol and 1-butanol + 1-butyl-3-methyl-imidazolium hexafluorophosphate, [bmim]PF6 at highly diluted region of organic solvents were determined using isothermal titration calorimeter (ITC) at 288.15, 298.15, 308.15 and 318.15 K. The experimental data were fitted with a Redlich.Kister equation. The partial molar excess enthalpies at infinite dilution were calculated using the parameters of the Redlich.Kister equation.

Compounds

#	Formula	Name
1	C3H8O	propan-1-ol
2	C3H8O	propan-2-ol
3	C4H10O	butan-1-ol
4	C7H16	heptane
5	C8H15F6N2P	1-butyl-3-methylimidazolium hexafluorophosphate
6	H2O	water
7	C2H6O	ethanol

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	7 6	Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid	Mole fraction - 7; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Calvet calorimetry	15
POMD	7 6	Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid	Mole fraction - 6; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Calvet calorimetry	15
POMD	7 4	Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid	Mole fraction - 7; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Calvet calorimetry	12
POMD	7 4	Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid	Mole fraction - 4; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Calvet calorimetry	12
POMD	7 5	Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid	Temperature, K; Liquid Mole fraction - 7; Liquid	Pressure, kPa; Liquid	Liquid	Calvet calorimetry	32
POMD	1 5	Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid	Temperature, K; Liquid Mole fraction - 1; Liquid	Pressure, kPa; Liquid	Liquid	Calvet calorimetry	32
POMD	2 5	Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid	Temperature, K; Liquid Mole fraction - 2; Liquid	Pressure, kPa; Liquid	Liquid	Calvet calorimetry	32
POMD	3 5	Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid	Temperature, K; Liquid Mole fraction - 3; Liquid	Pressure, kPa; Liquid	Liquid	Calvet calorimetry	40

Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Determination of partial molar excess enthalpies at infinite dilution for the systems four alcohols + [bmim]PF6 at different temperatures by isothermal titration calorimeter

Li, S.[Shengying], Yan, W.[Weidong], Dong, H.[Hong]

ABSTRACT