Mixture of 1,2-Ethanediol + 1-Butanol + Acetic acid, butyl ester

Excel

1,2-Ethanediol

Name
1,2-Ethanediol
InChI
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
InChI Key
LYCAIKOWRPUZTN-UHFFFAOYSA-N
Formula
C2H6O2
SMILES
OCCO
Mol. Weight (g/mol)
62.07
CAS
107-21-1

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
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. Mole fraction (2)

Mole fraction [ref]

Operational conditions:

Fixed Measured
Mole fraction of Acetic acid, butyl ester (3) - Liquid mixture 2 Mole fraction of 1-Butanol (2) - Liquid mixture 2 Mole fraction of 1-Butanol (2) - Liquid mixture 1 Mole fraction of Acetic acid, butyl ester (3) - Liquid mixture 1
0.0320 0.0000 0.0000 0.9380
0.1040 0.0920 0.2120 0.5960
0.0900 0.0880 0.2040 0.6290
0.0830 0.0760 0.1970 0.6640
0.0740 0.0600 0.1890 0.7100
0.0690 0.0490 0.1660 0.7670
0.0570 0.0380 0.1550 0.8070
0.0500 0.0290 0.1380 0.8280
0.0370 0.0210 0.1200 0.8500

Mole fraction [ref]

Operational conditions:

Fixed Measured
Mole fraction of Acetic acid, butyl ester (3) - Liquid mixture 2 Mole fraction of 1-Butanol (2) - Liquid mixture 2 Mole fraction of 1-Butanol (2) - Liquid mixture 1 Mole fraction of Acetic acid, butyl ester (3) - Liquid mixture 1
0.0320 0.0000 0.0000 0.9380
0.1040 0.0920 0.2120 0.5960
0.0900 0.0880 0.2040 0.6290
0.0830 0.0760 0.1970 0.6640
0.0740 0.0600 0.1890 0.7100
0.0690 0.0490 0.1660 0.7670
0.0570 0.0380 0.1550 0.8070
0.0500 0.0290 0.1380 0.8280
0.0370 0.0210 0.1200 0.8500

Sources