Mixture of 9-Octadecenoic acid (Z)-, methyl ester + Phenol + Water

Name: 9-Octadecenoic acid (Z)-, methyl ester
InChI: InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h10-11H,3-9,12-18H2,1-2H3/b11-10-
InChI Key: QYDYPVFESGNLHU-KHPPLWFESA-N
Formula: C19H36O2
SMILES: CCCCCCCCC=CCCCCCCCC(=O)OC
Mol. Weight (g/mol): 296.49
CAS: 112-62-9

Name: Phenol
InChI: InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H
InChI Key: ISWSIDIOOBJBQZ-UHFFFAOYSA-N
Formula: C6H6O
SMILES: Oc1ccccc1
Mol. Weight (g/mol): 94.11
CAS: 108-95-2

Name: Water
InChI: InChI=1S/H2O/h1H2
InChI Key: XLYOFNOQVPJJNP-UHFFFAOYSA-N
Formula: H2O
SMILES: O
Mol. Weight (g/mol): 18.02
CAS: 7732-18-5

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Datasets

Temperature, K x Mole fraction (2)

Temperature, K x Mole fraction [ref]

Operational condition: Pressure, kPa = 100 (Liquid mixture 2)

Fixed		Measured
Temperature, K - Liquid mixture 1	Mole fraction of Phenol (2) - Liquid mixture 2	Mole fraction of Water (3) - Liquid mixture 2	Mole fraction of 9-Octadecenoic acid (Z)-, methyl ester (1) - Liquid mixture 1	Mole fraction of Phenol (2) - Liquid mixture 1
303.20	0.1250	0.0274	1.2800e-07	0.0008
303.20	0.0563	0.0275	1.2200e-07	0.0003
303.20	0.0143	0.0276	1.2500e-07	0.0001
323.20	0.1240	0.0381	3.3400e-07	0.0010
323.20	0.0536	0.0380	3.3500e-07	0.0004
323.20	0.0134	0.0382	3.3800e-07	0.0001
343.20	0.1180	0.0462	8.2800e-07	0.0013
343.20	0.0512	0.0461	8.3500e-07	0.0005
343.20	0.0129	0.0460	8.3800e-07	0.0001

Temperature, K x Mole fraction [ref]

Operational condition: Pressure, kPa = 100 (Liquid mixture 2)

Fixed		Measured
Temperature, K - Liquid mixture 1	Mole fraction of Phenol (2) - Liquid mixture 2	Mole fraction of Water (3) - Liquid mixture 2	Mole fraction of 9-Octadecenoic acid (Z)-, methyl ester (1) - Liquid mixture 1	Mole fraction of Phenol (2) - Liquid mixture 1
303.20	0.1250	0.0274	1.2800e-07	0.0008
303.20	0.0563	0.0275	1.2200e-07	0.0003
303.20	0.0143	0.0276	1.2500e-07	0.0001
323.20	0.1240	0.0381	3.3400e-07	0.0010
323.20	0.0536	0.0380	3.3500e-07	0.0004
323.20	0.0134	0.0382	3.3800e-07	0.0001
343.20	0.1180	0.0462	8.2800e-07	0.0013
343.20	0.0512	0.0461	8.3500e-07	0.0005
343.20	0.0129	0.0460	8.3800e-07	0.0001

Sources

Experimental Measurements and Modeling Study of Liquid-Liquid Equilibrium [(Water + Methyl Oleate + Model Molecules of Tar Issued from the Biomass Gasification Process (Benzene, Toluene, Phenol, Thiophene, and Pyridine)]