Mixture of Ethanol + 1-Butanol + Acetic acid, butyl ester + Ethyl Acetate

Excel

Ethanol

Name
Ethanol
InChI
InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
InChI Key
LFQSCWFLJHTTHZ-UHFFFAOYSA-N
Formula
C2H6O
SMILES
CCO
Mol. Weight (g/mol)
46.07
CAS
64-17-5

1-Butanol

Name
1-Butanol
InChI
InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3
InChI Key
LRHPLDYGYMQRHN-UHFFFAOYSA-N
Formula
C4H10O
SMILES
CCCCO
Mol. Weight (g/mol)
74.12
CAS
71-36-3

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

Ethyl Acetate

Name
Ethyl Acetate
InChI
InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3
InChI Key
XEKOWRVHYACXOJ-UHFFFAOYSA-N
Formula
C4H8O2
SMILES
CCOC(C)=O
Mol. Weight (g/mol)
88.11
CAS
141-78-6
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Datasets

  1. Vapor Liquid Equilibrium at Constant Temperature

Vapor Liquid Equilibrium at Constant Temperature [ref]

Operational condition: Temperature, K = 15.4 (VLE)

Fixed Measured
P [kPa] - VLE T [K] - VLE x1[mol/mol] of Ethanol (1) - Liquid x2[mol/mol] of Ethyl Acetate (4) - Liquid x3[mol/mol] of 1-Butanol (2) - Liquid y1[mol/mol] of Ethanol (1) - Vapour y2[mol/mol] of Ethyl Acetate (4) - Vapour y3[mol/mol] of 1-Butanol (2) - Vapour
35.1 333.25 0.1340 0.3120 0.3980 0.2310 0.6130 0.1090
37.2 333.25 0.1580 0.3250 0.3590 0.2650 0.5970 0.0930
38.0 333.35 0.2570 0.2360 0.2610 0.4270 0.4390 0.0630
32.3 333.05 0.0500 0.3300 0.5500 0.0900 0.7380 0.1490
32.4 333.15 0.0960 0.2730 0.4960 0.1810 0.6280 0.1440
31.9 333.05 0.1310 0.2460 0.4030 0.2480 0.5640 0.1230
38.3 333.25 0.4770 0.0950 0.2100 0.6610 0.2130 0.0480
41.901 332.95 0.4850 0.1470 0.1810 0.6250 0.2810 0.0360
37.4 333.05 0.4110 0.1380 0.2940 0.5800 0.3020 0.0620
39.499 333.05 0.3550 0.2020 0.3020 0.4980 0.3940 0.0620

Sources