Mixture of n-Hexane + Benzene, 1,2,4-trichloro- + Furfural

Name: n-Hexane
InChI: InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3
InChI Key: VLKZOEOYAKHREP-UHFFFAOYSA-N
Formula: C6H14
SMILES: CCCCCC
Mol. Weight (g/mol): 86.18
CAS: 110-54-3

Name: Benzene, 1,2,4-trichloro-
InChI: InChI=1S/C6H3Cl3/c7-4-1-2-5(8)6(9)3-4/h1-3H
InChI Key: PBKONEOXTCPAFI-UHFFFAOYSA-N
Formula: C6H3Cl3
SMILES: Clc1ccc(Cl)c(Cl)c1
Mol. Weight (g/mol): 181.45
CAS: 120-82-1

Name: Furfural
InChI: InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H
InChI Key: HYBBIBNJHNGZAN-UHFFFAOYSA-N
Formula: C5H4O2
SMILES: O=Cc1ccco1
Mol. Weight (g/mol): 96.08
CAS: 98-01-1

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Datasets

Mole fraction (4)

Mole fraction of Benzene, 1,2,4-trichloro- (2) [ref]

Operational conditions:

Pressure, kPa = 101.3 (Liquid mixture 1)
Temperature, K = 298.15 (Liquid mixture 1)

Mole fraction of Furfural (3) - Liquid mixture 1	Mole fraction of Benzene, 1,2,4-trichloro- (2) - Liquid mixture 1
0.0210	0.0000
0.0490	0.0410
0.0950	0.1220
0.1450	0.1700
0.1920	0.2150
0.2530	0.2350
0.3030	0.2410
0.3940	0.2450
0.4600	0.2360
0.5490	0.2160
0.6690	0.1680
0.7690	0.1050
0.8740	0.0420
0.9340	0.0000

Mole fraction [ref]

Operational conditions:

Temperature, K = 298.15 (Liquid mixture 2)
Pressure, kPa = 101.3 (Liquid mixture 1)

Fixed	Measured
Mole fraction of Furfural (3) - Liquid mixture 2	Mole fraction of Benzene, 1,2,4-trichloro- (2) - Liquid mixture 2	Mole fraction of Benzene, 1,2,4-trichloro- (2) - Liquid mixture 1	Mole fraction of Furfural (3) - Liquid mixture 1
0.8910	0.0320	0.0590	0.0550
0.7990	0.0870	0.1230	0.1030
0.7300	0.1390	0.1760	0.1550
0.5950	0.1970	0.2320	0.2340

Mole fraction of Benzene, 1,2,4-trichloro- (2) [ref]

Operational conditions:

Pressure, kPa = 101.3 (Liquid mixture 1)
Temperature, K = 298.15 (Liquid mixture 1)

Mole fraction of Furfural (3) - Liquid mixture 1	Mole fraction of Benzene, 1,2,4-trichloro- (2) - Liquid mixture 1
0.0210	0.0000
0.0490	0.0410
0.0950	0.1220
0.1450	0.1700
0.1920	0.2150
0.2530	0.2350
0.3030	0.2410
0.3940	0.2450
0.4600	0.2360
0.5490	0.2160
0.6690	0.1680
0.7690	0.1050
0.8740	0.0420
0.9340	0.0000

Mole fraction [ref]

Operational conditions:

Temperature, K = 298.15 (Liquid mixture 2)
Pressure, kPa = 101.3 (Liquid mixture 1)

Fixed	Measured
Mole fraction of Furfural (3) - Liquid mixture 2	Mole fraction of Benzene, 1,2,4-trichloro- (2) - Liquid mixture 2	Mole fraction of Benzene, 1,2,4-trichloro- (2) - Liquid mixture 1	Mole fraction of Furfural (3) - Liquid mixture 1
0.8910	0.0320	0.0590	0.0550
0.7990	0.0870	0.1230	0.1030
0.7300	0.1390	0.1760	0.1550
0.5950	0.1970	0.2320	0.2340

Sources

Liquid-Liquid Equilibria for Mixtures of (Furfural + a Chlorinated Aromatic Compound + an Alkane) at T = 298.15 K