Mixture of Isopropyl acetate + Phenol + Water

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Isopropyl acetate

Name
Isopropyl acetate
InChI
InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3
InChI Key
JMMWKPVZQRWMSS-UHFFFAOYSA-N
Formula
C5H10O2
SMILES
CC(=O)OC(C)C
Mol. Weight (g/mol)
102.13
CAS
108-21-4

Phenol

Name
Phenol
InChI
InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H
InChI Key
ISWSIDIOOBJBQZ-UHFFFAOYSA-N
Formula
C6H6O
SMILES
Oc1ccccc1
Mol. Weight (g/mol)
94.11
CAS
108-95-2

Water

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

  1. Mole fraction (2)

Mole fraction [ref]

Operational conditions:

Fixed Measured
Mole fraction of Water (3) - Liquid mixture 2 Mole fraction of Phenol (2) - Liquid mixture 2 Mole fraction of Phenol (2) - Liquid mixture 1 Mole fraction of Water (3) - Liquid mixture 1
0.9966 0.0007 0.1012 0.1308
0.9961 0.0016 0.2172 0.1554
0.9946 0.0039 0.3360 0.2513
0.9915 0.0075 0.4303 0.3311
0.9874 0.0119 0.4117 0.4782
0.9843 0.0154 0.3490 0.6132

Mole fraction [ref]

Operational conditions:

Fixed Measured
Mole fraction of Water (3) - Liquid mixture 2 Mole fraction of Phenol (2) - Liquid mixture 2 Mole fraction of Phenol (2) - Liquid mixture 1 Mole fraction of Water (3) - Liquid mixture 1
0.9966 0.0007 0.1012 0.1308
0.9961 0.0016 0.2172 0.1554
0.9946 0.0039 0.3360 0.2513
0.9915 0.0075 0.4303 0.3311
0.9874 0.0119 0.4117 0.4782
0.9843 0.0154 0.3490 0.6132

Sources