ABSTRACT

The isothermal vapor-liquid equilibrium data are presented for the systems toluene or octane + phenol + water, toluene or octane + 2-cresol + water, toluene or octane + 3-cresol + water, and toluene + 4-cresol + water at two different temperatures and reduced pressures. The experimental data were determined in a modified Rck and Sieg type circulation still and were compared with the predictions of the activity coefficient models nonrandom two-liquid (NRTL) and universal quasichemical (UNIQUAC) models as well as the Elliott-Suresh-Donohue equation of state (ESD EoS).

Compounds

#	Formula	Name
1	C6H6O	phenol
2	C7H8O	2-methylphenol
3	C7H8O	3-methylphenol
4	C7H8O	4-methylphenol
5	C8H18	octane
6	C7H8	toluene
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	VIBTUB::UFactor:3	1
POMD	2	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	VIBTUB::UFactor:3	1
POMD	3	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	VIBTUB::UFactor:3	1
POMD	4	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	VIBTUB::UFactor:3	1
POMD	5	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	VIBTUB::UFactor:3	1
POMD	6	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	VIBTUB::UFactor:3	2
POMD	6 1	Mass density, kg/m3 ; Liquid	Mole fraction - 6; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	VIBTUB:UFactor:3	10
POMD	1 7	Mass density, kg/m3 ; Liquid	Mole fraction - 1; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	VIBTUB:UFactor:3	6
POMD	2 6	Mass density, kg/m3 ; Liquid	Mole fraction - 6; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	VIBTUB:UFactor:3	17
POMD	2 7	Mass density, kg/m3 ; Liquid	Mole fraction - 2; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	VIBTUB:UFactor:3	8
POMD	3 6	Mass density, kg/m3 ; Liquid	Mole fraction - 6; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	VIBTUB:UFactor:3	12
POMD	3 7	Mass density, kg/m3 ; Liquid	Mole fraction - 3; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	VIBTUB:UFactor:3	15
POMD	4 6	Mass density, kg/m3 ; Liquid	Mole fraction - 6; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	VIBTUB:UFactor:3	12
POMD	4 7	Mass density, kg/m3 ; Liquid	Mole fraction - 4; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	VIBTUB:UFactor:3	6
POMD	2 5	Mass density, kg/m3 ; Liquid	Mole fraction - 5; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	VIBTUB:UFactor:3	12
POMD	3 5	Mass density, kg/m3 ; Liquid	Mole fraction - 5; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	VIBTUB:UFactor:3	7
POMD	6 1 7	Mass density, kg/m3 ; Liquid	Mole fraction - 6; Liquid Mole fraction - 1; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	VIBTUB:UFactor:3	97
POMD	6 1 7	Mole fraction - 1 ; Liquid Mole fraction - 1 ; Gas Mole fraction - 6 ; Gas	Temperature, K; Liquid Pressure, kPa; Liquid Mole fraction - 6; Liquid		Liquid Gas	Titration method Titration method Titration method	22
POMD	2 6 7	Mass density, kg/m3 ; Liquid	Mole fraction - 6; Liquid Mole fraction - 2; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	VIBTUB:UFactor:3	75
POMD	2 6 7	Mole fraction - 2 ; Gas	Temperature, K; Gas Pressure, kPa; Gas		Gas Liquid mixture 1 Liquid mixture 2	Density calibration data	6
POMD	2 6 7	Mole fraction - 2 ; Liquid mixture 1	Temperature, K; Liquid mixture 1 Pressure, kPa; Liquid mixture 1		Liquid mixture 1 Liquid mixture 2 Gas	Density calibration data	6
POMD	2 6 7	Mole fraction - 6 ; Liquid mixture 1	Temperature, K; Liquid mixture 1 Pressure, kPa; Liquid mixture 1		Liquid mixture 1 Liquid mixture 2 Gas	Density calibration data	6
POMD	2 6 7	Mole fraction - 6 ; Gas	Temperature, K; Gas Pressure, kPa; Gas		Gas Liquid mixture 1 Liquid mixture 2	Density calibration data	6
POMD	2 6 7	Mole fraction - 2 ; Liquid Mole fraction - 2 ; Gas Mole fraction - 6 ; Gas	Temperature, K; Liquid Pressure, kPa; Liquid Mole fraction - 6; Liquid		Liquid Gas	Density calibration data Density calibration data Density calibration data	22
POMD	3 6 7	Mass density, kg/m3 ; Liquid	Mole fraction - 6; Liquid Mole fraction - 3; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	VIBTUB:UFactor:3	111
POMD	3 6 7	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid Mole fraction - 6; Liquid Mole fraction - 3; Liquid		Liquid Gas	Ebulliometric method (Recirculating still)	10
POMD	3 6 7	Mole fraction - 3 ; Gas Mole fraction - 6 ; Liquid Mole fraction - 3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid Mole fraction - 6; Gas		Gas Liquid	Density calibration data Density calibration data Density calibration data	12
POMD	4 6 7	Mass density, kg/m3 ; Liquid	Mole fraction - 6; Liquid Mole fraction - 4; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	VIBTUB:UFactor:3	96
POMD	4 6 7	Mole fraction - 4 ; Liquid mixture 1	Temperature, K; Liquid mixture 1 Pressure, kPa; Liquid mixture 1		Liquid mixture 1 Liquid mixture 2 Gas	Density calibration data	2
POMD	4 6 7	Mole fraction - 4 ; Gas	Temperature, K; Gas Pressure, kPa; Gas		Gas Liquid mixture 1 Liquid mixture 2	Density calibration data	2
POMD	4 6 7	Mole fraction - 6 ; Liquid mixture 1	Temperature, K; Liquid mixture 1 Pressure, kPa; Liquid mixture 1		Liquid mixture 1 Liquid mixture 2 Gas	Density calibration data	2
POMD	4 6 7	Mole fraction - 6 ; Gas	Temperature, K; Gas Pressure, kPa; Gas		Gas Liquid mixture 1 Liquid mixture 2	Density calibration data	2
POMD	4 6 7	Mole fraction - 4 ; Gas Mole fraction - 6 ; Liquid Mole fraction - 4 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid Mole fraction - 6; Gas		Gas Liquid	Density calibration data Density calibration data Density calibration data	19
POMD	1 5 7	Mole fraction - 1 ; Gas Mole fraction - 5 ; Liquid Mole fraction - 1 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid Mole fraction - 5; Gas		Gas Liquid	Titration method Titration method Titration method	28
POMD	2 5 7	Mass density, kg/m3 ; Liquid	Mole fraction - 5; Liquid Mole fraction - 2; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	VIBTUB:UFactor:3	70
POMD	2 5 7	Mole fraction - 2 ; Liquid mixture 1	Temperature, K; Liquid mixture 1 Pressure, kPa; Liquid mixture 1		Liquid mixture 1 Liquid mixture 2 Gas	Density calibration data	12
POMD	2 5 7	Mole fraction - 2 ; Gas	Temperature, K; Gas Pressure, kPa; Gas		Gas Liquid mixture 1 Liquid mixture 2	Density calibration data	12
POMD	2 5 7	Mole fraction - 5 ; Liquid mixture 1	Temperature, K; Liquid mixture 1 Pressure, kPa; Liquid mixture 1		Liquid mixture 1 Liquid mixture 2 Gas	Density calibration data	12
POMD	2 5 7	Mole fraction - 5 ; Gas	Temperature, K; Gas Pressure, kPa; Gas		Gas Liquid mixture 1 Liquid mixture 2	Density calibration data	12
POMD	2 5 7	Vapor or sublimation pressure, kPa ; Liquid	Mole fraction - 5; Liquid Mole fraction - 2; Liquid	Temperature, K; Liquid	Liquid Gas	Ebulliometric method (Recirculating still)	2
POMD	2 5 7	Mole fraction - 2 ; Gas Mole fraction - 5 ; Liquid Mole fraction - 2 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid Mole fraction - 5; Gas		Gas Liquid	Density calibration data Density calibration data Density calibration data	10
POMD	3 5 7	Mass density, kg/m3 ; Liquid	Mole fraction - 5; Liquid Mole fraction - 3; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	VIBTUB:UFactor:3	111
POMD	3 5 7	Mole fraction - 3 ; Liquid mixture 1	Temperature, K; Liquid mixture 1 Pressure, kPa; Liquid mixture 1		Liquid mixture 1 Liquid mixture 2 Gas	Density calibration data	2
POMD	3 5 7	Mole fraction - 3 ; Gas	Temperature, K; Gas Pressure, kPa; Gas		Gas Liquid mixture 2 Liquid mixture 1	Density calibration data	2
POMD	3 5 7	Mole fraction - 5 ; Liquid mixture 1	Temperature, K; Liquid mixture 1 Pressure, kPa; Liquid mixture 1		Liquid mixture 1 Liquid mixture 2 Gas	Density calibration data	2
POMD	3 5 7	Mole fraction - 5 ; Gas	Temperature, K; Gas Pressure, kPa; Gas		Gas Liquid mixture 2 Liquid mixture 1	Density calibration data	2
POMD	3 5 7	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid Mole fraction - 5; Liquid Mole fraction - 3; Liquid		Liquid Gas	Ebulliometric method (Recirculating still)	2
POMD	3 5 7	Mole fraction - 3 ; Gas Mole fraction - 5 ; Liquid Mole fraction - 3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid Mole fraction - 5; Gas		Gas Liquid	Density calibration data Density calibration data Density calibration data	25

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

Vapor-Liquid Equilibria in Ternary Systems of Toluene or Octane + Phenols + Water

Martin, A.[Antje], Klauck, M.[Mandy], Grenner, A.[Andreas], Meinhardt, R.[Rene], Taubert, K.[Klaus], Precht, A.[Annett], Martin, D.[Diana], Schmelzer, J.[Jurgen]

ABSTRACT