ABSTRACT

Liquid-liquid equilibria in binary mixtures of halogenated benzene (chlorobenzene, bromobenzene, and iodobenzene) with ionic liquid, 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ([emim]- [Tf2N]), have been measured using a volumetric method over a temperature range from about (293 to 373) K. A general trend between the molecular size of the solute (monohalogenated benzene) and the immiscibility gap was discovered; the larger the size, the wider the gap. No correlation with the dipole moment exists, although other intermolecular interactions (higher-order moments, o-electron effects, and hydrogen bonding) may also play a role. The excess molar volumes range from (-1 to -5) cm3 * mol-1; the magnitudes are larger than those of ordinary liquid solutions. Observed LLE are well correlated by use of the nonrandom two liquid (NRTL) solution model.

Compounds

#	Formula	Name
1	C6H5Cl	chlorobenzene
2	C6H5Br	bromobenzene
3	C6H5I	iodobenzene
4	C8H11F6N3O4S2	1-ethyl-3-methylimidazolium bis((trifluoromethyl)sulfonyl)imide

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 4	Molar volume, m3/mol ; Liquid mixture 1	Temperature, K; Liquid mixture 1	Pressure, kPa; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	volumetric method	5
POMD	1 4	Molar volume, m3/mol ; Liquid mixture 2	Temperature, K; Liquid mixture 2	Pressure, kPa; Liquid mixture 2	Liquid mixture 2 Liquid mixture 1	volumetric method	5
POMD	1 4	Mole fraction - 1 ; Liquid mixture 1	Temperature, K; Liquid mixture 1	Pressure, kPa; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	volumetric method	5
POMD	1 4	Mole fraction - 4 ; Liquid mixture 2	Temperature, K; Liquid mixture 2	Pressure, kPa; Liquid mixture 2	Liquid mixture 2 Liquid mixture 1	volumetric method	5
POMD	2 4	Molar volume, m3/mol ; Liquid mixture 1	Temperature, K; Liquid mixture 1	Pressure, kPa; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	volumetric method	5
POMD	2 4	Molar volume, m3/mol ; Liquid mixture 2	Temperature, K; Liquid mixture 2	Pressure, kPa; Liquid mixture 2	Liquid mixture 2 Liquid mixture 1	volumetric method	5
POMD	2 4	Mole fraction - 2 ; Liquid mixture 1	Temperature, K; Liquid mixture 1	Pressure, kPa; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	volumetric method	5
POMD	2 4	Mole fraction - 4 ; Liquid mixture 2	Temperature, K; Liquid mixture 2	Pressure, kPa; Liquid mixture 2	Liquid mixture 2 Liquid mixture 1	volumetric method	5
POMD	3 4	Molar volume, m3/mol ; Liquid mixture 1	Temperature, K; Liquid mixture 1	Pressure, kPa; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	volumetric method	5
POMD	3 4	Molar volume, m3/mol ; Liquid mixture 2	Temperature, K; Liquid mixture 2	Pressure, kPa; Liquid mixture 2	Liquid mixture 2 Liquid mixture 1	volumetric method	5
POMD	3 4	Mole fraction - 3 ; Liquid mixture 1	Temperature, K; Liquid mixture 1	Pressure, kPa; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	volumetric method	5
POMD	3 4	Mole fraction - 4 ; Liquid mixture 2	Temperature, K; Liquid mixture 2	Pressure, kPa; Liquid mixture 2	Liquid mixture 2 Liquid mixture 1	volumetric method	5

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

Liquid-Liquid Equilibria in Binary Mixtures Containing Chlorobenzene, Bromobenzene, and Iodobenzene with Ionic Liquid 1-Ethyl-3-methylimidazolim Bis(trifluoromethylsulfonyl)imide

Shiflett, M. B.[Mark B.], Niehaus, A. M. S.[Anne Marie S.], Yokozeki, A.

ABSTRACT