Mixture of Benzenemethanol, «alpha»-methyl- + Pentanoic acid + Water

Excel

Benzenemethanol, «alpha»-methyl-

Name
Benzenemethanol, «alpha»-methyl-
InChI
InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3
InChI Key
WAPNOHKVXSQRPX-UHFFFAOYSA-N
Formula
C8H10O
SMILES
CC(O)c1ccccc1
Mol. Weight (g/mol)
122.16
CAS
98-85-1

Pentanoic acid

Name
Pentanoic acid
InChI
InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)
InChI Key
NQPDZGIKBAWPEJ-UHFFFAOYSA-N
Formula
C5H10O2
SMILES
CCCCC(=O)O
Mol. Weight (g/mol)
102.13
CAS
109-52-4

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
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 Pentanoic acid (2) - Liquid mixture 2 Mole fraction of Water (3) - Liquid mixture 2 Mole fraction of Water (3) - Liquid mixture 1 Mole fraction of Pentanoic acid (2) - Liquid mixture 1
0.0000 0.2346 0.9960 0.0000
0.5248 0.4752 0.9918 0.0082
0.0597 0.2675 0.9929 0.0033
0.1213 0.2745 0.9926 0.0042
0.1986 0.2985 0.9923 0.0052
0.2817 0.3287 0.9921 0.0058
0.3948 0.3854 0.9919 0.0064

Mole fraction [ref]

Operational conditions:

Fixed Measured
Mole fraction of Pentanoic acid (2) - Liquid mixture 2 Mole fraction of Water (3) - Liquid mixture 2 Mole fraction of Water (3) - Liquid mixture 1 Mole fraction of Pentanoic acid (2) - Liquid mixture 1
0.0000 0.2346 0.9960 0.0000
0.5248 0.4752 0.9918 0.0082
0.0597 0.2675 0.9929 0.0033
0.1213 0.2745 0.9926 0.0042
0.1986 0.2985 0.9923 0.0052
0.2817 0.3287 0.9921 0.0058
0.3948 0.3854 0.9919 0.0064

Sources