Mixture of Pentanoic acid, 4-oxo- + Water + Di-n-octyl phthalate

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Pentanoic acid, 4-oxo-

Name
Pentanoic acid, 4-oxo-
InChI
InChI=1S/C5H8O3/c1-4(6)2-3-5(7)8/h2-3H2,1H3,(H,7,8)
InChI Key
JOOXCMJARBKPKM-UHFFFAOYSA-N
Formula
C5H8O3
SMILES
CC(=O)CCC(=O)O
Mol. Weight (g/mol)
116.12
CAS
123-76-2

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

Di-n-octyl phthalate

Name
Di-n-octyl phthalate
InChI
InChI=1S/C24H38O4/c1-3-5-7-9-11-15-19-27-23(25)21-17-13-14-18-22(21)24(26)28-20-16-12-10-8-6-4-2/h13-14,17-18H,3-12,15-16,19-20H2,1-2H3
InChI Key
MQIUGAXCHLFZKX-UHFFFAOYSA-N
Formula
C24H38O4
SMILES
CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC
Mol. Weight (g/mol)
390.56
CAS
117-84-0
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Datasets

  1. Mass fraction (2)

Mass fraction of Pentanoic acid, 4-oxo- (1) [ref]

Fixed Measured
Mass fraction of Pentanoic acid, 4-oxo- (1) - Liquid mixture 2 Temperature, K - Liquid mixture 1 Pressure, kPa - Liquid mixture 1 Mass fraction of Pentanoic acid, 4-oxo- (1) - Liquid mixture 1
0.0462 298.15 2500.00 0.0035

Mass fraction of Pentanoic acid, 4-oxo- (1) [ref]

Fixed Measured
Mass fraction of Pentanoic acid, 4-oxo- (1) - Liquid mixture 2 Temperature, K - Liquid mixture 1 Pressure, kPa - Liquid mixture 1 Mass fraction of Pentanoic acid, 4-oxo- (1) - Liquid mixture 1
0.0462 298.15 2500.00 0.0035

Sources