Mixture of Benzene + Acetonitrile + Isopropyl Alcohol + Ethanol

Excel

Benzene

Name
Benzene
InChI
InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H
InChI Key
UHOVQNZJYSORNB-UHFFFAOYSA-N
Formula
C6H6
SMILES
c1ccccc1
Mol. Weight (g/mol)
78.11
CAS
71-43-2

Acetonitrile

Name
Acetonitrile
InChI
InChI=1S/C2H3N/c1-2-3/h1H3
InChI Key
WEVYAHXRMPXWCK-UHFFFAOYSA-N
Formula
C2H3N
SMILES
CC#N
Mol. Weight (g/mol)
41.05
CAS
75-05-8

Isopropyl Alcohol

Name
Isopropyl Alcohol
InChI
InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3
InChI Key
KFZMGEQAYNKOFK-UHFFFAOYSA-N
Formula
C3H8O
SMILES
CC(C)O
Mol. Weight (g/mol)
60.09
CAS
67-63-0

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
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Datasets

  1. Vapor Liquid Equilibrium at Constant Temperature

Vapor Liquid Equilibrium at Constant Temperature [ref]

Operational condition: Temperature, K = 333.15 (VLE)

Fixed Measured
P [kPa] - VLE x1[mol/mol] of Isopropyl Alcohol (3) - Liquid x2[mol/mol] of Acetonitrile (2) - Liquid x3[mol/mol] of Benzene (1) - Liquid y1[mol/mol] of Isopropyl Alcohol (3) - Vapour y2[mol/mol] of Acetonitrile (2) - Vapour y3[mol/mol] of Benzene (1) - Vapour
73.514 0.1010 0.2990 0.4550 0.0950 0.2830 0.4570
73.341 0.1180 0.3080 0.3360 0.0900 0.2840 0.3890
72.941 0.1370 0.1400 0.5530 0.1220 0.1520 0.5310
74.461 0.1110 0.2200 0.4890 0.1000 0.2180 0.4850
75.727 0.0340 0.2300 0.4880 0.0270 0.2190 0.4730
68.154 0.0370 0.6570 0.1810 0.0410 0.5360 0.2540
74.021 0.1090 0.2170 0.4160 0.0870 0.2160 0.4440
67.088 0.0930 0.5230 0.0880 0.0810 0.4750 0.1410
72.034 0.1120 0.3460 0.2430 0.0800 0.3160 0.3290
73.581 0.1150 0.2780 0.3310 0.0840 0.2650 0.3920
73.434 0.1330 0.2820 0.4960 0.1330 0.2750 0.4850
68.034 0.0750 0.0790 0.7840 0.1080 0.1070 0.6520
71.861 0.1860 0.1970 0.4410 0.1560 0.2020 0.4630
73.061 0.1440 0.2350 0.3700 0.1140 0.2370 0.4110
60.502 0.0520 0.0490 0.0780 0.0340 0.0980 0.2070
67.221 0.0770 0.5920 0.1290 0.0710 0.4970 0.2020
74.167 0.1010 0.2690 0.4820 0.0940 0.2580 0.4740
69.928 0.2270 0.2460 0.2060 0.1650 0.2660 0.2910
69.194 0.1000 0.3180 0.1290 0.0660 0.3340 0.2240
73.167 0.1780 0.1960 0.3330 0.1240 0.2250 0.3960
61.328 0.0710 0.8150 0.0740 0.1150 0.6980 0.1270

Sources