Mixture of Acetic acid + Isopropyl acetate + Water

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Acetic acid

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

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

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 (6)

Mole fraction of Acetic acid (1) [ref]

Operational conditions:

Mole fraction of Isopropyl acetate (2) - Liquid mixture 1 Mole fraction of Acetic acid (1) - Liquid mixture 1
0.0123 0.0775
0.0174 0.0957
0.0253 0.1186
0.0362 0.1368
0.0579 0.1570
0.0876 0.1749
0.1110 0.1863
0.1388 0.1996
0.1523 0.2034
0.2096 0.2185
0.2716 0.2191
0.3629 0.2199
0.4402 0.1945
0.5459 0.1680
0.6868 0.1064

Mole fraction [ref]

Operational conditions:

Fixed Measured
Mole fraction of Acetic acid (1) - Liquid mixture 1 Mole fraction of Isopropyl acetate (2) - Liquid mixture 1 Mole fraction of Acetic acid (1) - Liquid mixture 2 Mole fraction of Isopropyl acetate (2) - Liquid mixture 2
0.0314 0.0067 0.0423 0.7950
0.0537 0.0077 0.1312 0.6264
0.0548 0.0086 0.1328 0.6016
0.0581 0.0116 0.1555 0.5429
0.0863 0.0152 0.1901 0.4038
0.1140 0.0271 0.2068 0.2890

Temperature, K x Mole fraction [ref]

Operational condition: Pressure, kPa = 101.33 (Liquid)

Fixed Measured
Temperature, K - Liquid Mole fraction of Water (3) - Liquid Mole fraction of Acetic acid (1) - Liquid Mole fraction of Acetic acid (1) - Gas Mole fraction of Water (3) - Gas
370.52 0.5986 0.3774 0.1677 0.6751
371.69 0.5977 0.3837 0.2061 0.6715
371.94 0.6112 0.3734 0.2082 0.6799
372.65 0.5047 0.4682 0.2655 0.6149
372.91 0.4962 0.4726 0.2688 0.6023
372.95 0.6121 0.3772 0.2257 0.6899
373.31 0.4981 0.4764 0.2817 0.6084
374.18 0.2261 0.6580 0.3948 0.3662
374.73 0.2602 0.6539 0.4184 0.3904
374.87 0.6291 0.3672 0.2740 0.6997
375.44 0.2594 0.6634 0.4213 0.3925
375.58 0.6279 0.3701 0.2651 0.7223
375.95 0.2649 0.6701 0.4562 0.3879
377.15 0.3827 0.5987 0.4455 0.4905
378.03 0.3835 0.6069 0.4595 0.5023
382.27 0.1618 0.8115 0.6703 0.2681
382.69 0.1676 0.8131 0.6699 0.2832
383.30 0.1794 0.8095 0.7013 0.2737

Mole fraction of Acetic acid (1) [ref]

Operational conditions:

Mole fraction of Isopropyl acetate (2) - Liquid mixture 1 Mole fraction of Acetic acid (1) - Liquid mixture 1
0.0123 0.0775
0.0174 0.0957
0.0253 0.1186
0.0362 0.1368
0.0579 0.1570
0.0876 0.1749
0.1110 0.1863
0.1388 0.1996
0.1523 0.2034
0.2096 0.2185
0.2716 0.2191
0.3629 0.2199
0.4402 0.1945
0.5459 0.1680
0.6868 0.1064

Mole fraction [ref]

Operational conditions:

Fixed Measured
Mole fraction of Acetic acid (1) - Liquid mixture 1 Mole fraction of Isopropyl acetate (2) - Liquid mixture 1 Mole fraction of Acetic acid (1) - Liquid mixture 2 Mole fraction of Isopropyl acetate (2) - Liquid mixture 2
0.0314 0.0067 0.0423 0.7950
0.0537 0.0077 0.1312 0.6264
0.0548 0.0086 0.1328 0.6016
0.0581 0.0116 0.1555 0.5429
0.0863 0.0152 0.1901 0.4038
0.1140 0.0271 0.2068 0.2890

Temperature, K x Mole fraction [ref]

Operational condition: Pressure, kPa = 101.33 (Liquid)

Fixed Measured
Temperature, K - Liquid Mole fraction of Water (3) - Liquid Mole fraction of Acetic acid (1) - Liquid Mole fraction of Acetic acid (1) - Gas Mole fraction of Water (3) - Gas
370.52 0.5986 0.3774 0.1677 0.6751
371.69 0.5977 0.3837 0.2061 0.6715
371.94 0.6112 0.3734 0.2082 0.6799
372.65 0.5047 0.4682 0.2655 0.6149
372.91 0.4962 0.4726 0.2688 0.6023
372.95 0.6121 0.3772 0.2257 0.6899
373.31 0.4981 0.4764 0.2817 0.6084
374.18 0.2261 0.6580 0.3948 0.3662
374.73 0.2602 0.6539 0.4184 0.3904
374.87 0.6291 0.3672 0.2740 0.6997
375.44 0.2594 0.6634 0.4213 0.3925
375.58 0.6279 0.3701 0.2651 0.7223
375.95 0.2649 0.6701 0.4562 0.3879
377.15 0.3827 0.5987 0.4455 0.4905
378.03 0.3835 0.6069 0.4595 0.5023
382.27 0.1618 0.8115 0.6703 0.2681
382.69 0.1676 0.8131 0.6699 0.2832
383.30 0.1794 0.8095 0.7013 0.2737

Sources