ABSTRACT

Molar excess volumes and molar excess enthalpies of butyl acetate (i) with cyclohexane or benzene or toluene or o-, m- or p-xylene (j) binary mixtures have been measured dilatometrically and calorimetrically over the entire composition range at 308.15 K. The observed data have also been analyzed in terms of graph theoretical approach. The analysis of VE data by graph theoretical approach suggests that butyl acetate in pure state exists as associated entity and (i + j) mixtures are characterized by the presence of (i j) molecular entity. It has further been observed that VE and HE values calculated by this approach agree well with the corresponding experimental values. The presence of molecular entity is further confirmed by IR study of (i + j) mixture.

Compounds

#	Formula	Name
1	C6H12O2	butyl ethanoate
2	C6H12	cyclohexane
3	C6H6	benzene
4	C7H8	toluene
5	C8H10	1,2-dimethylbenzene
6	C8H10	1,3-dimethylbenzene
7	C8H10	1,4-dimethylbenzene

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	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Standard Abbe refractometry	1
POMD	1	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Vibrating tube method	1
POMD	2	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Standard Abbe refractometry	1
POMD	2	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Vibrating tube method	1
POMD	3	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Standard Abbe refractometry	1
POMD	3	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Vibrating tube method	1
POMD	4	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Standard Abbe refractometry	1
POMD	4	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Vibrating tube method	1
POMD	5	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Standard Abbe refractometry	1
POMD	5	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Vibrating tube method	1
POMD	6	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Standard Abbe refractometry	1
POMD	6	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Vibrating tube method	1
POMD	7	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Standard Abbe refractometry	1
POMD	7	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Vibrating tube method	1
POMD	3 1	Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid	Mole fraction - 1; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	FLOW:UFactor:2	10
POMD	3 1	Excess molar volume, m3/mol ; Liquid	Mole fraction - 1; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	DIRDIL:UFactor:4	10
POMD	4 1	Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid	Mole fraction - 1; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	FLOW:UFactor:2	11
POMD	4 1	Excess molar volume, m3/mol ; Liquid	Mole fraction - 1; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	DIRDIL:UFactor:4	9
POMD	5 1	Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid	Mole fraction - 1; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	FLOW:UFactor:2	10
POMD	5 1	Excess molar volume, m3/mol ; Liquid	Mole fraction - 1; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	DIRDIL:UFactor:4	10
POMD	6 1	Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid	Mole fraction - 1; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	FLOW:UFactor:2	10
POMD	6 1	Excess molar volume, m3/mol ; Liquid	Mole fraction - 1; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	DIRDIL:UFactor:4	10
POMD	7 1	Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid	Mole fraction - 1; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	FLOW:UFactor:2	10
POMD	7 1	Excess molar volume, m3/mol ; Liquid	Mole fraction - 1; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	DIRDIL:UFactor:4	10
POMD	2 1	Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid	Mole fraction - 1; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	FLOW:UFactor:2	11
POMD	2 1	Excess molar volume, m3/mol ; Liquid	Mole fraction - 1; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	DIRDIL:UFactor:8	11

Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Topological and thermodynamic investigations of molecular interactions in binary mixtures: Molar excess volumes and molar excess enthalpies

Maken, S.[Sanjeev], Deshwal, B. R.[Bal Raj], Chadha, R.[Renu], Anu, Singh, K. C.[Krishan Chander], Kim, H.[Hwayong], Park, J.-W.[Jin-Won]

ABSTRACT