ABSTRACT

A high pressure flow-mixing isothermal microcalorimeter was used to determine molar excess enthalpies of six binary systems for 2,4- pentanedione + (1-butanol, + 2-methyl-1-propanol, + 1-pentanol, + 1-heptane, + ethyl acetate, and + water) at T = 298.15, 313.15, and 328.15K and p = 0.1 and 10.0MPa. The molar excess enthalpies increased with an increase of the temperature and the molecular size of alcohols and decreased slightly with an increase of pressure. The experimental data were correlated by the Redlich Kister equation and three local composition models (Wilson, NRTL, and UNIQUAC).

Compounds

#	Formula	Name
1	C5H8O2	2,4-pentanedione
2	C4H10O	butan-1-ol
3	C4H10O	2-methyl-1-propanol
4	C5H12O	pentan-1-ol
5	C7H16	heptane
6	C4H8O2	ethyl acetate
7	H2O	water

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	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	PYCNOM:UFactor:8	3
POMD	2 1	Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid Mole fraction - 1; Liquid		Liquid	Flow calorimetry	84
POMD	3 1	Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid Mole fraction - 1; Liquid		Liquid	Flow calorimetry	84
POMD	4 1	Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid Mole fraction - 1; Liquid		Liquid	Flow calorimetry	84
POMD	1 5	Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid	Temperature, K; Liquid Mole fraction - 1; Liquid	Pressure, kPa; Liquid	Liquid	Flow calorimetry	41
POMD	1 6	Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid	Temperature, K; Liquid Mole fraction - 1; Liquid	Pressure, kPa; Liquid	Liquid	Flow calorimetry	42
POMD	1 7	Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid	Temperature, K; Liquid Mole fraction - 1; Liquid	Pressure, kPa; Liquid	Liquid	Flow calorimetry	30

Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Determination and correlation of molar excess enthalpies of binary systems 2,4-pentanedione + (1-butanol, + 2-methyl-1-propanol, + 1-pentanol, + 1-heptane, + ethyl acetate, and + water)

Li, S.[Shengying], Yan, W.[Weidong]

ABSTRACT