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

Name: Thiophene
InChI: InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H
InChI Key: YTPLMLYBLZKORZ-UHFFFAOYSA-N
Formula: C4H4S
SMILES: c1ccsc1
Mol. Weight (g/mol): 84.14
CAS: 110-02-1

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: 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 Thiophene (1) - Liquid mixture 2	Mole fraction of Water (3) - Liquid mixture 2	Mole fraction of 9-Octadecenoic acid (Z)-, methyl ester (2) - Liquid mixture 1	Mole fraction of Thiophene (1) - Liquid mixture 1
303.20	0.1630	0.0275	1.2700e-07	0.0001
303.20	0.0697	0.0274	1.2800e-07	0.0000
303.20	0.0232	0.0275	1.2100e-07	0.0000
323.20	0.1580	0.0380	3.3400e-07	0.0001
323.20	0.0664	0.0381	3.2200e-07	0.0001
323.20	0.0203	0.0382	3.2800e-07	0.0000
343.20	0.1590	0.0461	8.3800e-07	0.0002
343.20	0.0666	0.0461	8.3700e-07	0.0001
343.20	0.0210	0.0461	8.3300e-07	0.0000

Temperature, K x Mole fraction [ref]

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

Fixed		Measured
Temperature, K - Liquid mixture 1	Mole fraction of Thiophene (1) - Liquid mixture 2	Mole fraction of Water (3) - Liquid mixture 2	Mole fraction of 9-Octadecenoic acid (Z)-, methyl ester (2) - Liquid mixture 1	Mole fraction of Thiophene (1) - Liquid mixture 1
303.20	0.1630	0.0275	1.2700e-07	0.0001
303.20	0.0697	0.0274	1.2800e-07	0.0000
303.20	0.0232	0.0275	1.2100e-07	0.0000
323.20	0.1580	0.0380	3.3400e-07	0.0001
323.20	0.0664	0.0381	3.2200e-07	0.0001
323.20	0.0203	0.0382	3.2800e-07	0.0000
343.20	0.1590	0.0461	8.3800e-07	0.0002
343.20	0.0666	0.0461	8.3700e-07	0.0001
343.20	0.0210	0.0461	8.3300e-07	0.0000

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)]