Mixture of 1,3-Propanediol + 1-Butanol + Acetic acid, butyl ester

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1,3-Propanediol

Name
1,3-Propanediol
InChI
InChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2
InChI Key
YPFDHNVEDLHUCE-UHFFFAOYSA-N
Formula
C3H8O2
SMILES
OCCCO
Mol. Weight (g/mol)
76.09
CAS
504-63-2

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
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Datasets

  1. Mole fraction (2)

Mole fraction [ref]

Operational conditions:

Fixed Measured
Mole fraction of 1-Butanol (2) - Liquid mixture 1 Mole fraction of Acetic acid, butyl ester (3) - Liquid mixture 1 Mole fraction of Acetic acid, butyl ester (3) - Liquid mixture 2 Mole fraction of 1-Butanol (2) - Liquid mixture 2
0.0000 0.9270 0.0720 0.0000
0.1630 0.6900 0.1180 0.0720
0.1530 0.7150 0.1120 0.0660
0.1420 0.7400 0.1070 0.0600
0.1300 0.7660 0.1020 0.0530
0.1190 0.7870 0.0980 0.0480
0.1130 0.7980 0.0950 0.0470
0.0910 0.8370 0.0890 0.0360
0.0740 0.8650 0.0770 0.0180

Mole fraction [ref]

Operational conditions:

Fixed Measured
Mole fraction of 1-Butanol (2) - Liquid mixture 1 Mole fraction of Acetic acid, butyl ester (3) - Liquid mixture 1 Mole fraction of Acetic acid, butyl ester (3) - Liquid mixture 2 Mole fraction of 1-Butanol (2) - Liquid mixture 2
0.0000 0.9270 0.0720 0.0000
0.1630 0.6900 0.1180 0.0720
0.1530 0.7150 0.1120 0.0660
0.1420 0.7400 0.1070 0.0600
0.1300 0.7660 0.1020 0.0530
0.1190 0.7870 0.0980 0.0480
0.1130 0.7980 0.0950 0.0470
0.0910 0.8370 0.0890 0.0360
0.0740 0.8650 0.0770 0.0180

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