Mixture of Phenol, 3-methyl- + Heptane + Water

Name: Phenol, 3-methyl-
InChI: InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3
InChI Key: RLSSMJSEOOYNOY-UHFFFAOYSA-N
Formula: C7H8O
SMILES: Cc1cccc(O)c1
Mol. Weight (g/mol): 108.14
CAS: 108-39-4

Name: Heptane
InChI: InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3
InChI Key: IMNFDUFMRHMDMM-UHFFFAOYSA-N
Formula: C7H16
SMILES: CCCCCCC
Mol. Weight (g/mol): 100.20
CAS: 142-82-5

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

Mole fraction (10)

Mole fraction of Phenol, 3-methyl- (1) [ref]

Operational condition: Pressure, kPa = 101 (Liquid mixture 1)

Temperature, K - Liquid mixture 1	Mole fraction of Phenol, 3-methyl- (1) - Liquid mixture 1
298.15	0.0701
323.15	0.1063

Mole fraction of Phenol, 3-methyl- (1) [ref]

Operational condition: Pressure, kPa = 101 (Liquid mixture 2)

Temperature, K - Liquid mixture 2	Mole fraction of Phenol, 3-methyl- (1) - Liquid mixture 2
298.15	0.4940
323.15	0.4325

Mole fraction of Heptane (2) [ref]

Operational condition: Pressure, kPa = 101 (Liquid mixture 1)

Temperature, K - Liquid mixture 1	Mole fraction of Heptane (2) - Liquid mixture 1
298.15	0.9075
323.15	0.8485

Mole fraction of Heptane (2) [ref]

Operational condition: Pressure, kPa = 101 (Liquid mixture 2)

Temperature, K - Liquid mixture 2	Mole fraction of Heptane (2) - Liquid mixture 2
298.15	0.1410
323.15	0.1512

Mole fraction of Phenol, 3-methyl- (1) [ref]

Operational condition: Pressure, kPa = 101 (Liquid mixture 2)

Fixed		Measured
Temperature, K - Liquid mixture 2	Mole fraction of Heptane (2) - Liquid mixture 2	Mole fraction of Phenol, 3-methyl- (1) - Liquid mixture 2
298.15	0.0000	0.5184
298.15	0.0731	0.5252
298.15	0.0796	0.5260
298.15	0.1178	0.5109
298.15	0.1336	0.4993
298.15	0.1570	0.4999
298.15	0.1575	0.5192
298.15	0.1579	0.5394
298.15	0.1899	0.5573
298.15	0.1942	0.5557
298.15	0.2349	0.5600
298.15	0.2676	0.5546
298.15	0.2789	0.5515
298.15	0.3015	0.5419
298.15	0.3185	0.5349
298.15	0.3538	0.5131
298.15	0.3649	0.5046
298.15	0.3980	0.4837
298.15	0.5170	0.4016
298.15	0.6548	0.2847
298.15	0.6773	0.2663
298.15	0.7115	0.2386
298.15	0.8558	0.1182
323.15	0.0000	0.4742
323.15	0.0617	0.4920
323.15	0.0692	0.4918
323.15	0.0748	0.4920
323.15	0.0806	0.4927
323.15	0.1179	0.4403
323.15	0.1319	0.4377
323.15	0.1538	0.4298
323.15	0.1762	0.4463
323.15	0.2138	0.4863
323.15	0.2380	0.4831
323.15	0.2677	0.4762
323.15	0.3171	0.4496
323.15	0.3323	0.4430
323.15	0.3524	0.4324
323.15	0.3846	0.4176
323.15	0.5245	0.3339
323.15	0.6682	0.2405
323.15	0.7338	0.1942
323.15	0.7733	0.1679

Mole fraction of Phenol, 3-methyl- (1) [ref]

Operational condition: Pressure, kPa = 101 (Liquid mixture 1)

Temperature, K - Liquid mixture 1	Mole fraction of Phenol, 3-methyl- (1) - Liquid mixture 1
298.15	0.0701
323.15	0.1063

Mole fraction of Phenol, 3-methyl- (1) [ref]

Operational condition: Pressure, kPa = 101 (Liquid mixture 2)

Temperature, K - Liquid mixture 2	Mole fraction of Phenol, 3-methyl- (1) - Liquid mixture 2
298.15	0.4940
323.15	0.4325

Mole fraction of Heptane (2) [ref]

Operational condition: Pressure, kPa = 101 (Liquid mixture 1)

Temperature, K - Liquid mixture 1	Mole fraction of Heptane (2) - Liquid mixture 1
298.15	0.9075
323.15	0.8485

Mole fraction of Heptane (2) [ref]

Operational condition: Pressure, kPa = 101 (Liquid mixture 2)

Temperature, K - Liquid mixture 2	Mole fraction of Heptane (2) - Liquid mixture 2
298.15	0.1410
323.15	0.1512

Mole fraction of Phenol, 3-methyl- (1) [ref]

Operational condition: Pressure, kPa = 101 (Liquid mixture 2)

Fixed		Measured
Temperature, K - Liquid mixture 2	Mole fraction of Heptane (2) - Liquid mixture 2	Mole fraction of Phenol, 3-methyl- (1) - Liquid mixture 2
298.15	0.0000	0.5184
298.15	0.0731	0.5252
298.15	0.0796	0.5260
298.15	0.1178	0.5109
298.15	0.1336	0.4993
298.15	0.1570	0.4999
298.15	0.1575	0.5192
298.15	0.1579	0.5394
298.15	0.1899	0.5573
298.15	0.1942	0.5557
298.15	0.2349	0.5600
298.15	0.2676	0.5546
298.15	0.2789	0.5515
298.15	0.3015	0.5419
298.15	0.3185	0.5349
298.15	0.3538	0.5131
298.15	0.3649	0.5046
298.15	0.3980	0.4837
298.15	0.5170	0.4016
298.15	0.6548	0.2847
298.15	0.6773	0.2663
298.15	0.7115	0.2386
298.15	0.8558	0.1182
323.15	0.0000	0.4742
323.15	0.0617	0.4920
323.15	0.0692	0.4918
323.15	0.0748	0.4920
323.15	0.0806	0.4927
323.15	0.1179	0.4403
323.15	0.1319	0.4377
323.15	0.1538	0.4298
323.15	0.1762	0.4463
323.15	0.2138	0.4863
323.15	0.2380	0.4831
323.15	0.2677	0.4762
323.15	0.3171	0.4496
323.15	0.3323	0.4430
323.15	0.3524	0.4324
323.15	0.3846	0.4176
323.15	0.5245	0.3339
323.15	0.6682	0.2405
323.15	0.7338	0.1942
323.15	0.7733	0.1679

Sources

Liquid-Liquid(-Liquid) Equilibria in Ternary Systems of Aliphatic Hydrocarbons (Heptane or Octane) + Phenols + Water