Mixture of Benzene + n-Hexane + Furfural

Name: Benzene
InChI: InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H
InChI Key: UHOVQNZJYSORNB-UHFFFAOYSA-N
Formula: C6H6
SMILES: c1ccccc1
Mol. Weight (g/mol): 78.11
CAS: 71-43-2

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: 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 [ref]

Operational conditions:

Pressure, kPa = 298.15 (Liquid mixture 1)
Temperature, K = 101.325 (Liquid mixture 1)

Fixed	Measured
Mole fraction of Furfural (3) - Liquid mixture 1	Mole fraction of Benzene (1) - Liquid mixture 1	Mole fraction of Benzene (1) - Liquid mixture 2	Mole fraction of Furfural (3) - Liquid mixture 2
0.6950	0.1940	0.2160	0.0850
0.5970	0.2570	0.2890	0.1190
0.5230	0.2990	0.3280	0.1590
0.3960	0.3530	0.3680	0.2620

Mole fraction of Benzene (1) [ref]

Operational conditions:

Temperature, K = 298.15 (Liquid mixture 1)
Pressure, kPa = 101.325 (Liquid mixture 1)

Mole fraction of Furfural (3) - Liquid mixture 1	Mole fraction of Benzene (1) - Liquid mixture 1
0.0460	0.0000
0.0540	0.0670
0.0720	0.1710
0.1060	0.2740
0.1590	0.3290
0.2260	0.3610
0.3010	0.3650
0.3740	0.3520
0.4490	0.3370
0.5890	0.2630
0.6880	0.2010
0.7590	0.1440
0.9330	0.0000

Mole fraction [ref]

Operational conditions:

Pressure, kPa = 298.15 (Liquid mixture 1)
Temperature, K = 101.325 (Liquid mixture 1)

Fixed	Measured
Mole fraction of Furfural (3) - Liquid mixture 1	Mole fraction of Benzene (1) - Liquid mixture 1	Mole fraction of Benzene (1) - Liquid mixture 2	Mole fraction of Furfural (3) - Liquid mixture 2
0.6950	0.1940	0.2160	0.0850
0.5970	0.2570	0.2890	0.1190
0.5230	0.2990	0.3280	0.1590
0.3960	0.3530	0.3680	0.2620

Mole fraction of Benzene (1) [ref]

Operational conditions:

Temperature, K = 298.15 (Liquid mixture 1)
Pressure, kPa = 101.325 (Liquid mixture 1)

Mole fraction of Furfural (3) - Liquid mixture 1	Mole fraction of Benzene (1) - Liquid mixture 1
0.0460	0.0000
0.0540	0.0670
0.0720	0.1710
0.1060	0.2740
0.1590	0.3290
0.2260	0.3610
0.3010	0.3650
0.3740	0.3520
0.4490	0.3370
0.5890	0.2630
0.6880	0.2010
0.7590	0.1440
0.9330	0.0000

Sources

Liquid-liquid equilibria for mixtures of (Furfural + an Aromatic hydrocarbon + an alkane) at T=298.15 K