Mixture of 1-Butanol + Acetic acid, butyl ester + Methyl Alcohol

Excel

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

Methyl Alcohol

Name
Methyl Alcohol
InChI
InChI=1S/CH4O/c1-2/h2H,1H3
InChI Key
OKKJLVBELUTLKV-UHFFFAOYSA-N
Formula
CH4O
SMILES
CO
Mol. Weight (g/mol)
32.04
CAS
67-56-1
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 Pressure

Vapor Liquid Equilibrium at Constant Pressure [ref]

Operational condition: Pressure, kPa = 101.33 (VLE)

Fixed Measured
T [K] - VLE x1[mol/mol] of Methyl Alcohol (3) - Liquid x2[mol/mol] of 1-Butanol (1) - Liquid y1[mol/mol] of Methyl Alcohol (3) - Vapour y2[mol/mol] of 1-Butanol (1) - Vapour
337.55 1.0000 0.0000 1.0000 0.0000
390.87 0.0000 1.0000 0.0000 1.0000
399.12 0.0000 0.0000 0.0000 0.0000
346.45 0.5820 0.1970 0.9180 0.0250
371.05 0.1390 0.6560 0.5320 0.3250
363.75 0.1490 0.2340 0.6880 0.0990

Sources