Mixture of 1-Propanol + Acetic acid, pentyl ester + Water

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1-Propanol

Name
1-Propanol
InChI
InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3
InChI Key
BDERNNFJNOPAEC-UHFFFAOYSA-N
Formula
C3H8O
SMILES
CCCO
Mol. Weight (g/mol)
60.09
CAS
71-23-8

Acetic acid, pentyl ester

Name
Acetic acid, pentyl ester
InChI
InChI=1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3
InChI Key
PGMYKACGEOXYJE-UHFFFAOYSA-N
Formula
C7H14O2
SMILES
CCCCCOC(C)=O
Mol. Weight (g/mol)
130.18
CAS
628-63-7

Water

Name
Water
InChI
InChI=1S/H2O/h1H2
InChI Key
XLYOFNOQVPJJNP-UHFFFAOYSA-N
Formula
H2O
SMILES
O
Mol. Weight (g/mol)
18.02
CAS
7732-18-5
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Datasets

  1. Mole fraction (2)

Mole fraction [ref]

Operational conditions:

Fixed Measured
Mole fraction of Water (3) - Liquid mixture 1 Mole fraction of 1-Propanol (1) - Liquid mixture 1 Mole fraction of 1-Propanol (1) - Liquid mixture 2 Mole fraction of Water (3) - Liquid mixture 2
0.9995 0.0000 0.0000 0.0255
0.9738 0.0260 0.1871 0.2161
0.9659 0.0339 0.2647 0.2815
0.9606 0.0392 0.3140 0.3130
0.9565 0.0433 0.3450 0.3551
0.9576 0.0422 0.3690 0.3718
0.9511 0.0487 0.3690 0.4239

Mole fraction [ref]

Operational conditions:

Fixed Measured
Mole fraction of Water (3) - Liquid mixture 1 Mole fraction of 1-Propanol (1) - Liquid mixture 1 Mole fraction of 1-Propanol (1) - Liquid mixture 2 Mole fraction of Water (3) - Liquid mixture 2
0.9995 0.0000 0.0000 0.0255
0.9738 0.0260 0.1871 0.2161
0.9659 0.0339 0.2647 0.2815
0.9606 0.0392 0.3140 0.3130
0.9565 0.0433 0.3450 0.3551
0.9576 0.0422 0.3690 0.3718
0.9511 0.0487 0.3690 0.4239

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