ABSTRACT

This paper reports excess molar enthalpies for the binary mixtures of {1-alkanols (2), namely, {methanol, ethanol, 1-propanol, 1-butanol, and 1-pentanol} with benzaldehyde (1)} at T = 298.15 K at ambient pressure over a whole range of mole fraction. The sign of excess molar enthalpy for all systems are positive and the magnitude of excess molar enthalpy values with increasing of chain length, increase. The Redlich-Kister polynomial equation was used to correlate excess molar enthalpy. The excess partial molar enthalpies of benzaldehyde, excess partial molar enthalpies of 1-alkanols (C1 to C5) and excess partial molar enthalpies at infinite dilution are calculated according to experimental excess molar enthalpies and Redlich-Kister polynomial equation. The extracted date were used to evaluated the two so-called intermolecular interaction functions in terms of enthalpy. The ERAS, Wilson and NRTL models have been applied for describing the excess molar enthalpy.

Compounds

#	Formula	Name
1	C7H6O	benzaldehyde
2	CH4O	methanol
3	C2H6O	ethanol
4	C3H8O	propan-1-ol
5	C4H10O	butan-1-ol
6	C5H12O	pentan-1-ol

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 1	Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid	Mole fraction - 1; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Parr 1455 Solution Calorimeter	12
POMD	3 1	Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid	Mole fraction - 1; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Parr 1455 Solution Calorimeter	12
POMD	4 1	Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid	Mole fraction - 1; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Parr 1455 Solution Calorimeter	12
POMD	5 1	Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid	Mole fraction - 1; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Parr 1455 Solution Calorimeter	12
POMD	6 1	Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid	Mole fraction - 1; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Parr 1455 Solution Calorimeter	12

Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Application of the extended real associated solution (ERAS) theory to excess molar enthalpies of benzaldehyde + 1-alkanols (C1 to C5) at T = 298.15 K

Iloukhani, H., Fattahi, M.

ABSTRACT