ABSTRACT

Experimental isobaric molar heat capacities at atmospheric pressure have been determined for the mixture {p-cymene + propan-1-ol} every 10 K in the temperature interval (298.8 328.5) K and over the entire composition range with a Calvet type calorimeter. Densities, necessary for calculating heat capacities, have been also measured in similar conditions. Excess molar volumes have been calculated from densities. They are positive at (318.15 and 328.15) K and sigmoidal at (298.15 and 308.15) K with negative values in the zone very rich in propan-1-ol. Excess molar heat capacities have been calculated from the molar heat capacities and show positive values. Both excess molar properties increase as the temperature rises at a given molar fraction. Excess properties are discussed in terms of intermolecular interactions. The solvation model COSMO-RS has been applied to predict the excess molar heat capacities, being the quantitative predictions rather poor.

Compounds

#	Formula	Name
1	C10H14	1-(1-methylethyl)-4-methylbenzene
2	C3H8O	propan-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	1	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	4
POMD	1	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Extra sensitive DSC	4
POMD	2	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	4
POMD	2	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Extra sensitive DSC	4
POMD	1 2	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Mole fraction - 1; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	52
POMD	1 2	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid Mole fraction - 1; Liquid	Pressure, kPa; Liquid	Liquid	Extra sensitive DSC	52

Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Thermophysical and volumetric study of mixtures {p-cymene + propan-1-ol} at several temperatures and atmospheric pressure. Modeling with COSMO-RS

Martinez-Lopez, Jose F., Pardo, Juan I., Liu, Sichen, Mainar, Ana M.

ABSTRACT