Mixture of Benzene + Acetonitrile + 1-Butanol

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

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
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 1-Butanol (3) - Liquid x2[mol/mol] of Acetonitrile (2) - Liquid y1[mol/mol] of 1-Butanol (3) - Vapour y2[mol/mol] of Acetonitrile (2) - Vapour
7.879 1.0000 0.0000 1.0000 0.0000
49.076 0.0000 1.0000 0.0000 1.0000
52.196 0.0000 0.0000 0.0000 0.0000
61.488 0.0650 0.6470 0.0250 0.5870
51.782 0.0830 0.8430 0.0380 0.8040
56.915 0.1890 0.3280 0.0540 0.3890
46.17 0.5480 0.1890 0.1240 0.3660
35.65 0.6890 0.2440 0.1740 0.6330
52.422 0.1760 0.0660 0.0660 0.1170
55.195 0.2430 0.3780 0.0660 0.4440
56.209 0.2290 0.3310 0.0590 0.4000
53.662 0.2470 0.1540 0.0720 0.2350
57.835 0.1540 0.2540 0.0500 0.3210
53.142 0.3020 0.4070 0.0760 0.4930
49.129 0.4500 0.1680 0.0980 0.3060
46.689 0.4600 0.3540 0.1060 0.5410
43.57 0.4570 0.4550 0.1210 0.6870
50.329 0.3910 0.1340 0.0910 0.2310

Sources