Mixture of Benzene, (1-methylethyl)- + Acetic acid + Water

Name: Benzene, (1-methylethyl)-
InChI: InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3
InChI Key: RWGFKTVRMDUZSP-UHFFFAOYSA-N
Formula: C9H12
SMILES: CC(C)c1ccccc1
Mol. Weight (g/mol): 120.19
CAS: 98-82-8

Name: Acetic acid
InChI: InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)
InChI Key: QTBSBXVTEAMEQO-UHFFFAOYSA-N
Formula: C2H4O2
SMILES: CC(=O)O
Mol. Weight (g/mol): 60.05
CAS: 64-19-7

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 (4)

Mole fraction of Acetic acid (2) [ref]

Operational conditions:

Pressure, kPa = 101 (Liquid mixture 1)
Temperature, K = 298.15 (Liquid mixture 1)

Mole fraction of Water (3) - Liquid mixture 1	Mole fraction of Acetic acid (2) - Liquid mixture 1
0.0030	0.0000
0.0120	0.1850
0.0250	0.2910
0.0460	0.4320
0.0670	0.5140
0.1040	0.5870
0.1540	0.6300
0.2000	0.6550
0.2540	0.6590
0.3200	0.6300
0.4390	0.5420
0.5770	0.4170
0.6270	0.3700
0.6820	0.3160
0.8320	0.1680
0.9350	0.0640
0.9990	0.0000

Mole fraction [ref]

Operational conditions:

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

Fixed	Measured
Mole fraction of Water (3) - Liquid mixture 1	Mole fraction of Acetic acid (2) - Liquid mixture 1	Mole fraction of Water (3) - Liquid mixture 2	Mole fraction of Acetic acid (2) - Liquid mixture 2
0.9450	0.0550	0.0030	0.0150
0.9030	0.0970	0.0050	0.0250
0.8580	0.1420	0.0090	0.0440
0.7910	0.2080	0.0120	0.0720
0.7230	0.2750	0.0160	0.0950
0.6700	0.3270	0.0180	0.1350
0.6170	0.3790	0.0200	0.1750
0.5530	0.4400	0.0220	0.2260
0.4450	0.5400	0.0240	0.2980

Mole fraction of Acetic acid (2) [ref]

Operational conditions:

Pressure, kPa = 101 (Liquid mixture 1)
Temperature, K = 298.15 (Liquid mixture 1)

Mole fraction of Water (3) - Liquid mixture 1	Mole fraction of Acetic acid (2) - Liquid mixture 1
0.0030	0.0000
0.0120	0.1850
0.0250	0.2910
0.0460	0.4320
0.0670	0.5140
0.1040	0.5870
0.1540	0.6300
0.2000	0.6550
0.2540	0.6590
0.3200	0.6300
0.4390	0.5420
0.5770	0.4170
0.6270	0.3700
0.6820	0.3160
0.8320	0.1680
0.9350	0.0640
0.9990	0.0000

Mole fraction [ref]

Operational conditions:

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

Fixed	Measured
Mole fraction of Water (3) - Liquid mixture 1	Mole fraction of Acetic acid (2) - Liquid mixture 1	Mole fraction of Water (3) - Liquid mixture 2	Mole fraction of Acetic acid (2) - Liquid mixture 2
0.9450	0.0550	0.0030	0.0150
0.9030	0.0970	0.0050	0.0250
0.8580	0.1420	0.0090	0.0440
0.7910	0.2080	0.0120	0.0720
0.7230	0.2750	0.0160	0.0950
0.6700	0.3270	0.0180	0.1350
0.6170	0.3790	0.0200	0.1750
0.5530	0.4400	0.0220	0.2260
0.4450	0.5400	0.0240	0.2980

Sources

Liquid liquid equilibria of ternary systems (water + carboxylic acid + cumene) at 298.15K