Mixture of Toluene + Propanoic acid + Water

Name: Toluene
InChI: InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3
InChI Key: YXFVVABEGXRONW-UHFFFAOYSA-N
Formula: C7H8
SMILES: Cc1ccccc1
Mol. Weight (g/mol): 92.14
CAS: 108-88-3

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 (6)

Mole fraction [ref]

Operational conditions:

Temperature, K = 302.2 (Liquid mixture 2)
Pressure, kPa = 101.32 (Liquid mixture 2)

Fixed	Measured
Mole fraction of Propanoic acid (2) - Liquid mixture 1	Mole fraction of Water (3) - Liquid mixture 1	Mole fraction of Water (3) - Liquid mixture 2	Mole fraction of Propanoic acid (2) - Liquid mixture 2
0.1240	0.8758	0.0058	0.1244
0.1735	0.8262	0.0069	0.1791
0.2252	0.7744	0.0087	0.2350
0.3290	0.6704	0.0107	0.3101
0.4059	0.5933	0.0119	0.3528

Mole fraction [ref]

Operational conditions:

Temperature, K = 298 (Liquid mixture 1)
Pressure, kPa = 101.3 (Liquid mixture 1)

Fixed	Measured
Mole fraction of Water (3) - Liquid mixture 2	Mole fraction of Toluene (1) - Liquid mixture 2	Mole fraction of Water (3) - Liquid mixture 1	Mole fraction of Toluene (1) - Liquid mixture 1
0.9827	0.0021	0.0435	0.9077
0.9486	0.0038	0.0477	0.8012
0.9107	0.0047	0.0498	0.6980
0.8595	0.0071	0.0674	0.5885
0.7886	0.0145	0.1247	0.4594
0.6610	0.0486	0.3342	0.2396

Mole fraction of Water (3) [ref]

Operational conditions:

Pressure, kPa = 101.3 (Liquid mixture 1)
Temperature, K = 298 (Liquid mixture 1)

Mole fraction of Toluene (1) - Liquid mixture 1	Mole fraction of Water (3) - Liquid mixture 1
0.0077	0.9923
0.0195	0.9572
0.0306	0.9244
0.0444	0.8906
0.0814	0.8119
0.1007	0.7781
0.1590	0.6860
0.2455	0.5793
0.3576	0.4723
0.4302	0.4163
0.5245	0.3508
0.6622	0.2591
0.8467	0.1533

Mole fraction [ref]

Operational conditions:

Temperature, K = 302.2 (Liquid mixture 2)
Pressure, kPa = 101.32 (Liquid mixture 2)

Fixed	Measured
Mole fraction of Propanoic acid (2) - Liquid mixture 1	Mole fraction of Water (3) - Liquid mixture 1	Mole fraction of Water (3) - Liquid mixture 2	Mole fraction of Propanoic acid (2) - Liquid mixture 2
0.1240	0.8758	0.0058	0.1244
0.1735	0.8262	0.0069	0.1791
0.2252	0.7744	0.0087	0.2350
0.3290	0.6704	0.0107	0.3101
0.4059	0.5933	0.0119	0.3528

Mole fraction [ref]

Operational conditions:

Temperature, K = 298 (Liquid mixture 1)
Pressure, kPa = 101.3 (Liquid mixture 1)

Fixed	Measured
Mole fraction of Water (3) - Liquid mixture 2	Mole fraction of Toluene (1) - Liquid mixture 2	Mole fraction of Water (3) - Liquid mixture 1	Mole fraction of Toluene (1) - Liquid mixture 1
0.9827	0.0021	0.0435	0.9077
0.9486	0.0038	0.0477	0.8012
0.9107	0.0047	0.0498	0.6980
0.8595	0.0071	0.0674	0.5885
0.7886	0.0145	0.1247	0.4594
0.6610	0.0486	0.3342	0.2396

Mole fraction of Water (3) [ref]

Operational conditions:

Pressure, kPa = 101.3 (Liquid mixture 1)
Temperature, K = 298 (Liquid mixture 1)

Mole fraction of Toluene (1) - Liquid mixture 1	Mole fraction of Water (3) - Liquid mixture 1
0.0077	0.9923
0.0195	0.9572
0.0306	0.9244
0.0444	0.8906
0.0814	0.8119
0.1007	0.7781
0.1590	0.6860
0.2455	0.5793
0.3576	0.4723
0.4302	0.4163
0.5245	0.3508
0.6622	0.2591
0.8467	0.1533

Sources