ABSTRACT

The study of the isothermal vapour-liquid equilibrium (VLE) of the binary mixtures n-heptane plus chlorobutane isomers (1-chlorobutane, 2-chlorobutane, 1-chloro-2-methylpropane or 2-chloro-2- methylpropane) at three different temperatures, T = 288.15, 298.15 and 308.15 K, is presented in this contribution. The experimental results were correlated using Wilson equation and the thermodynamic consistency of the data was checked by the van Ness method. Furthermore, two different methods have been used to predict the phase equilibrium in isothermal conditions: a pure group contribution method (modified-UNIFAC) and a group contribution equation of state (VTPR).

Compounds

#	Formula	Name
1	C7H16	heptane
2	C4H9Cl	1-chlorobutane
3	C4H9Cl	2-chlorobutane
4	C4H9Cl	1-chloro-2-methylpropane
5	C4H9Cl	2-chloro-2-methylpropane

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	Phase	Method	#Points
POMD	1	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid	Liquid Gas	Ebulliometric method (Recirculating still)	3
POMD	2	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid	Liquid Gas	Ebulliometric method (Recirculating still)	3
POMD	3	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid	Liquid Gas	Ebulliometric method (Recirculating still)	3
POMD	4	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid	Liquid Gas	Ebulliometric method (Recirculating still)	3
POMD	5	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid	Liquid Gas	Ebulliometric method (Recirculating still)	3
POMD	2 1	Vapor or sublimation pressure, kPa ; Liquid	Mole fraction - 1; Liquid Temperature, K; Liquid	Liquid Gas	Ebulliometric method (Recirculating still)	54
POMD	2 1	Mole fraction - 1 ; Gas	Mole fraction - 1; Liquid Temperature, K; Liquid	Gas Liquid	Density calibration data	54
POMD	3 1	Vapor or sublimation pressure, kPa ; Liquid	Mole fraction - 1; Liquid Temperature, K; Liquid	Liquid Gas	Ebulliometric method (Recirculating still)	60
POMD	3 1	Mole fraction - 1 ; Gas	Mole fraction - 1; Liquid Temperature, K; Liquid	Gas Liquid	Density calibration data	60
POMD	1 4	Vapor or sublimation pressure, kPa ; Liquid	Mole fraction - 1; Liquid Temperature, K; Liquid	Liquid Gas	Ebulliometric method (Recirculating still)	51
POMD	1 4	Mole fraction - 1 ; Gas	Mole fraction - 1; Liquid Temperature, K; Liquid	Gas Liquid	Density calibration data	51
POMD	1 5	Vapor or sublimation pressure, kPa ; Liquid	Mole fraction - 1; Liquid Temperature, K; Liquid	Liquid Gas	Ebulliometric method (Recirculating still)	60
POMD	1 5	Mole fraction - 1 ; Gas	Mole fraction - 1; Liquid Temperature, K; Liquid	Gas Liquid	Density calibration data	60

Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Experimental and predicted vapour-liquid equilibrium of the binary mixtures n-heptane + chlorobutane isomers

Anton, V.[Victor], Martin, S.[Santiago], Lafuente, C.[Carlos], Gascon, I.[Ignacio]

ABSTRACT