Mixture of Butanoic acid + Acetic acid, cyclohexyl ester + Water

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Butanoic acid

Name
Butanoic acid
InChI
InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)
InChI Key
FERIUCNNQQJTOY-UHFFFAOYSA-N
Formula
C4H8O2
SMILES
CCCC(=O)O
Mol. Weight (g/mol)
88.11
CAS
107-92-6

Acetic acid, cyclohexyl ester

Name
Acetic acid, cyclohexyl ester
InChI
InChI=1S/C8H14O2/c1-7(9)10-8-5-3-2-4-6-8/h8H,2-6H2,1H3
InChI Key
YYLLIJHXUHJATK-UHFFFAOYSA-N
Formula
C8H14O2
SMILES
CC(=O)OC1CCCCC1
Mol. Weight (g/mol)
142.20
CAS
622-45-7

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. Temperature, K x Mole fraction (2)

Temperature, K x Mole fraction [ref]

Operational condition: Pressure, kPa = 101.325 (Liquid mixture 1)

Fixed Measured
Temperature, K - Liquid mixture 1 Mole fraction of Water (3) - Liquid mixture 1 Mole fraction of Butanoic acid (1) - Liquid mixture 1 Mole fraction of Water (3) - Liquid mixture 2 Mole fraction of Butanoic acid (1) - Liquid mixture 2
298.15 0.9740 0.0233 0.0230 0.1406
298.15 0.9607 0.0364 0.0338 0.2284
298.15 0.9483 0.0486 0.0452 0.2994
298.15 0.9398 0.0569 0.0648 0.3834
298.15 0.9220 0.0706 0.0842 0.4414
298.15 0.9130 0.0794 0.1024 0.4933
298.15 0.9046 0.0876 0.1148 0.5358
298.15 0.8961 0.0959 0.1320 0.5778
308.15 0.9764 0.0233 0.0175 0.1247
308.15 0.9630 0.0364 0.0263 0.2172
308.15 0.9507 0.0485 0.0496 0.3072
308.15 0.9430 0.0558 0.0598 0.3552
308.15 0.9302 0.0683 0.0734 0.4331
308.15 0.9178 0.0798 0.0851 0.4871
308.15 0.9140 0.0834 0.1069 0.5418
308.15 0.8973 0.0999 0.1306 0.5771
318.15 0.9775 0.0220 0.0354 0.1157
318.15 0.9626 0.0340 0.0527 0.2008
318.15 0.9488 0.0468 0.0629 0.2842
318.15 0.9405 0.0543 0.0701 0.3351
318.15 0.9280 0.0666 0.0917 0.4438
318.15 0.9165 0.0769 0.1135 0.4770
318.15 0.8879 0.1045 0.1387 0.5168
318.15 0.8735 0.1179 0.1685 0.5480

Temperature, K x Mole fraction [ref]

Operational condition: Pressure, kPa = 101.325 (Liquid mixture 1)

Fixed Measured
Temperature, K - Liquid mixture 1 Mole fraction of Water (3) - Liquid mixture 1 Mole fraction of Butanoic acid (1) - Liquid mixture 1 Mole fraction of Water (3) - Liquid mixture 2 Mole fraction of Butanoic acid (1) - Liquid mixture 2
298.15 0.9740 0.0233 0.0230 0.1406
298.15 0.9607 0.0364 0.0338 0.2284
298.15 0.9483 0.0486 0.0452 0.2994
298.15 0.9398 0.0569 0.0648 0.3834
298.15 0.9220 0.0706 0.0842 0.4414
298.15 0.9130 0.0794 0.1024 0.4933
298.15 0.9046 0.0876 0.1148 0.5358
298.15 0.8961 0.0959 0.1320 0.5778
308.15 0.9764 0.0233 0.0175 0.1247
308.15 0.9630 0.0364 0.0263 0.2172
308.15 0.9507 0.0485 0.0496 0.3072
308.15 0.9430 0.0558 0.0598 0.3552
308.15 0.9302 0.0683 0.0734 0.4331
308.15 0.9178 0.0798 0.0851 0.4871
308.15 0.9140 0.0834 0.1069 0.5418
308.15 0.8973 0.0999 0.1306 0.5771
318.15 0.9775 0.0220 0.0354 0.1157
318.15 0.9626 0.0340 0.0527 0.2008
318.15 0.9488 0.0468 0.0629 0.2842
318.15 0.9405 0.0543 0.0701 0.3351
318.15 0.9280 0.0666 0.0917 0.4438
318.15 0.9165 0.0769 0.1135 0.4770
318.15 0.8879 0.1045 0.1387 0.5168
318.15 0.8735 0.1179 0.1685 0.5480

Sources