ABSTRACT

The excess enthalpies at 298.15 and 308.15 K for six binary mixtures of acetonitrile + C8 aliphatic ether {heptyl methyl ether CH3OnC7H15, or ethylhexyl ether C2H5OnC6H13, or pentyl propyl ether nC3H7OnC5H11, or isopentyl propyl ether nC3H7Oi C5H11, or dibutyl ether nC4H9OnC4H9, or butyl isobutyl ether nC4H9OiC4H9} have been determined by isothermal titration calorimetry using the TA Instruments (model TAM III) calorimeter. The possibility of the COSMO-SAC model to account for the thermodynamic differences between these systems has been tested.

Compounds

#	Formula	Name
1	C2H3N	acetonitrile
2	C8H18O	dibutyl ether
3	C8H18O	butyl isobutyl ether
4	C8H18O	1-methoxyheptane
5	C8H18O	1-ethoxyhexane
6	C8H18O	1-propoxypentane
7	C8H18O	3-methyl-1-propoxybutane

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	6
POMD	2	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	8
POMD	3	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	8
POMD	4	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	8
POMD	5	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	8
POMD	6	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	8
POMD	7	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	8
POMD	1 2	Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid	Temperature, K; Liquid Mole fraction - 1; Liquid	Pressure, kPa; Liquid	Liquid	isothermal titration calorimetry	78
POMD	1 6	Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid	Temperature, K; Liquid Mole fraction - 1; Liquid	Pressure, kPa; Liquid	Liquid	isothermal titration calorimetry	80
POMD	1 5	Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid	Temperature, K; Liquid Mole fraction - 1; Liquid	Pressure, kPa; Liquid	Liquid	isothermal titration calorimetry	80
POMD	1 3	Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid	Mole fraction - 1; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	isothermal titration calorimetry	40
POMD	1 7	Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid	Temperature, K; Liquid Mole fraction - 1; Liquid	Pressure, kPa; Liquid	Liquid	isothermal titration calorimetry	63
POMD	1 4	Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid	Temperature, K; Liquid Mole fraction - 1; Liquid	Pressure, kPa; Liquid	Liquid	isothermal titration calorimetry	80

Thermodynamics Research Center / ThermoML | Journal of Chemical and Engineering Data

Excess Enthalpies in Binary Systems of Isomeric C8 Aliphatic Monoethers with Acetonitrile and Their Description by the COSMO-SAC Model

Ruszczynski, L.[Lukasz], Reda, M.[Mateusz], Krolikowski, M.[Marek], Glinski, M.[Marek], Hofman, T.[Tadeusz]

ABSTRACT