Mixture of Acetic acid, butyl ester + Acetone + Water

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Acetic acid, butyl ester

Name
Acetic acid, butyl ester
InChI
InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3
InChI Key
DKPFZGUDAPQIHT-UHFFFAOYSA-N
Formula
C6H12O2
SMILES
CCCCOC(C)=O
Mol. Weight (g/mol)
116.16
CAS
123-86-4

Acetone

Name
Acetone
InChI
InChI=1S/C3H6O/c1-3(2)4/h1-2H3
InChI Key
CSCPPACGZOOCGX-UHFFFAOYSA-N
Formula
C3H6O
SMILES
CC(C)=O
Mol. Weight (g/mol)
58.08
CAS
67-64-1

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 Pressure, kPa x Mole fraction (2)
  2. Vapor Liquid Equilibrium at Constant Pressure

Temperature, K x Pressure, kPa x Mole fraction [ref]

Fixed Measured
Temperature, K - Liquid mixture 1 Pressure, kPa - Liquid mixture 1 Mole fraction of Acetone (2) - Liquid mixture 1 Mole fraction of Acetone (2) - Liquid mixture 2 Mole fraction of Acetone (2) - Gas Mole fraction of Water (3) - Liquid mixture 1 Mole fraction of Water (3) - Liquid mixture 2 Mole fraction of Water (3) - Gas
359.25 101.33 0.0767 0.0079 0.1879 0.1727 0.9898 0.5864
355.25 101.33 0.1463 0.0165 0.3364 0.1783 0.9819 0.4844
352.35 101.33 0.2042 0.0266 0.4232 0.1940 0.9719 0.4238
350.15 101.33 0.2650 0.0342 0.4737 0.2060 0.9642 0.3937
346.95 101.33 0.3322 0.0515 0.5621 0.2281 0.9465 0.3377
344.45 101.33 0.3756 0.0666 0.6142 0.2645 0.9306 0.3043
342.65 101.33 0.4076 0.0829 0.6497 0.2909 0.9133 0.2821
341.15 101.33 0.4250 0.1002 0.6654 0.3251 0.8947 0.2758
340.25 101.33 0.4271 0.1245 0.6824 0.3820 0.8687 0.2668
339.55 101.33 0.4059 0.1677 0.7124 0.4670 0.8198 0.2467
339.25 101.33 0.3780 0.1778 0.6928 0.5120 0.8066 0.2616
342.35 79.99 0.2293 0.0304 0.4625 0.1881 0.9680 0.3949
335.55 79.99 0.3630 0.0619 0.5968 0.2310 0.9356 0.3126
333.45 79.99 0.4202 0.0910 0.6524 0.2811 0.9050 0.2774
331.25 79.99 0.4345 0.1219 0.6917 0.3521 0.8721 0.2530
329.65 79.99 0.4204 0.1433 0.7091 0.4282 0.8462 0.2440
329.35 79.99 0.3764 0.1982 0.7297 0.5179 0.7849 0.2306
332.15 48.00 0.2311 0.0328 0.4844 0.1593 0.9653 0.3769
325.95 48.00 0.3672 0.0665 0.6149 0.1968 0.9308 0.2942
322.55 48.00 0.4350 0.0971 0.6717 0.2449 0.8983 0.2589
321.35 48.00 0.4612 0.1285 0.6992 0.3031 0.8652 0.2458
319.35 48.00 0.4508 0.1647 0.7229 0.3839 0.8248 0.2323
318.25 48.00 0.4135 0.2155 0.7379 0.4697 0.7607 0.2252

Temperature, K x Pressure, kPa x Mole fraction [ref]

Fixed Measured
Temperature, K - Liquid mixture 1 Pressure, kPa - Liquid mixture 1 Mole fraction of Acetone (2) - Liquid mixture 1 Mole fraction of Acetone (2) - Liquid mixture 2 Mole fraction of Acetone (2) - Gas Mole fraction of Water (3) - Liquid mixture 1 Mole fraction of Water (3) - Liquid mixture 2 Mole fraction of Water (3) - Gas
359.25 101.33 0.0767 0.0079 0.1879 0.1727 0.9898 0.5864
355.25 101.33 0.1463 0.0165 0.3364 0.1783 0.9819 0.4844
352.35 101.33 0.2042 0.0266 0.4232 0.1940 0.9719 0.4238
350.15 101.33 0.2650 0.0342 0.4737 0.2060 0.9642 0.3937
346.95 101.33 0.3322 0.0515 0.5621 0.2281 0.9465 0.3377
344.45 101.33 0.3756 0.0666 0.6142 0.2645 0.9306 0.3043
342.65 101.33 0.4076 0.0829 0.6497 0.2909 0.9133 0.2821
341.15 101.33 0.4250 0.1002 0.6654 0.3251 0.8947 0.2758
340.25 101.33 0.4271 0.1245 0.6824 0.3820 0.8687 0.2668
339.55 101.33 0.4059 0.1677 0.7124 0.4670 0.8198 0.2467
339.25 101.33 0.3780 0.1778 0.6928 0.5120 0.8066 0.2616
342.35 79.99 0.2293 0.0304 0.4625 0.1881 0.9680 0.3949
335.55 79.99 0.3630 0.0619 0.5968 0.2310 0.9356 0.3126
333.45 79.99 0.4202 0.0910 0.6524 0.2811 0.9050 0.2774
331.25 79.99 0.4345 0.1219 0.6917 0.3521 0.8721 0.2530
329.65 79.99 0.4204 0.1433 0.7091 0.4282 0.8462 0.2440
329.35 79.99 0.3764 0.1982 0.7297 0.5179 0.7849 0.2306
332.15 48.00 0.2311 0.0328 0.4844 0.1593 0.9653 0.3769
325.95 48.00 0.3672 0.0665 0.6149 0.1968 0.9308 0.2942
322.55 48.00 0.4350 0.0971 0.6717 0.2449 0.8983 0.2589
321.35 48.00 0.4612 0.1285 0.6992 0.3031 0.8652 0.2458
319.35 48.00 0.4508 0.1647 0.7229 0.3839 0.8248 0.2323
318.25 48.00 0.4135 0.2155 0.7379 0.4697 0.7607 0.2252

Vapor Liquid Equilibrium at Constant Pressure [ref]

Operational condition: Pressure, kPa = 101.33 (VLE)

Fixed Measured
T [K] - VLE x1[mol/mol] of Acetone (2) - Liquid x2[mol/mol] of Water (3) - Liquid y1[mol/mol] of Acetone (2) - Vapour y2[mol/mol] of Water (3) - Vapour
336.65 0.6400 0.1600 0.8570 0.1210
342.75 0.4800 0.1200 0.7870 0.1540
351.35 0.3190 0.0790 0.6880 0.1950
365.25 0.1590 0.0360 0.5370 0.2250
339.55 0.4800 0.3200 0.8020 0.1650
345.85 0.3380 0.2480 0.6430 0.2740
352.05 0.2380 0.1620 0.4730 0.4130
365.25 0.1190 0.0750 0.4520 0.3010
342.85 0.3190 0.4820 0.7260 0.2280
348.15 0.2390 0.3610 0.5850 0.3090
354.75 0.1590 0.2410 0.4310 0.4120
364.75 0.0790 0.1230 0.3240 0.4560
347.35 0.1600 0.6400 0.6320 0.2830
365.85 0.0390 0.1550 0.1710 0.5580

Sources