Mixture of Benzene, (1-methylethyl)- + Propanoic 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: Propanoic acid
InChI: InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)
InChI Key: XBDQKXXYIPTUBI-UHFFFAOYSA-N
Formula: C3H6O2
SMILES: CCC(=O)O
Mol. Weight (g/mol): 74.08
CAS: 79-09-4

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 Propanoic 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 Propanoic acid (2) - Liquid mixture 1
0.0030	0.0000
0.0070	0.1460
0.0110	0.2930
0.0350	0.3880
0.0670	0.4730
0.1420	0.5170
0.2850	0.5050
0.4010	0.4690
0.5110	0.4210
0.6200	0.3510
0.7190	0.2700
0.8030	0.1940
0.8600	0.1390
1.0000	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 Propanoic acid (2) - Liquid mixture 1	Mole fraction of Water (3) - Liquid mixture 2	Mole fraction of Propanoic acid (2) - Liquid mixture 2
0.9760	0.0240	0.0050	0.0490
0.9570	0.0430	0.0060	0.1280
0.9370	0.0630	0.0090	0.2060
0.9110	0.0880	0.0110	0.2780
0.8800	0.1190	0.0230	0.3320
0.8330	0.1650	0.0350	0.3910
0.7810	0.2160	0.0520	0.4360
0.6770	0.2990	0.0670	0.4800

Mole fraction of Propanoic 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 Propanoic acid (2) - Liquid mixture 1
0.0030	0.0000
0.0070	0.1460
0.0110	0.2930
0.0350	0.3880
0.0670	0.4730
0.1420	0.5170
0.2850	0.5050
0.4010	0.4690
0.5110	0.4210
0.6200	0.3510
0.7190	0.2700
0.8030	0.1940
0.8600	0.1390
1.0000	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 Propanoic acid (2) - Liquid mixture 1	Mole fraction of Water (3) - Liquid mixture 2	Mole fraction of Propanoic acid (2) - Liquid mixture 2
0.9760	0.0240	0.0050	0.0490
0.9570	0.0430	0.0060	0.1280
0.9370	0.0630	0.0090	0.2060
0.9110	0.0880	0.0110	0.2780
0.8800	0.1190	0.0230	0.3320
0.8330	0.1650	0.0350	0.3910
0.7810	0.2160	0.0520	0.4360
0.6770	0.2990	0.0670	0.4800

Sources

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