Mixture of 1,4-Butanediol + 1-Decanol + Water

Excel

1,4-Butanediol

Name
1,4-Butanediol
InChI
InChI=1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2
InChI Key
WERYXYBDKMZEQL-UHFFFAOYSA-N
Formula
C4H10O2
SMILES
OCCCCO
Mol. Weight (g/mol)
90.12
CAS
110-63-4

1-Decanol

Name
1-Decanol
InChI
InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3
InChI Key
MWKFXSUHUHTGQN-UHFFFAOYSA-N
Formula
C10H22O
SMILES
CCCCCCCCCCO
Mol. Weight (g/mol)
158.28
CAS
112-30-1

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 1,4-Butanediol (1) - Liquid mixture 2 Mole fraction of Water (3) - Liquid mixture 2 Mole fraction of Water (3) - Liquid mixture 1 Mole fraction of 1,4-Butanediol (1) - Liquid mixture 1
0.0155 0.0136 0.8290 0.1653
0.0267 0.0192 0.7345 0.2525
0.0365 0.0245 0.6343 0.3432
0.0418 0.0274 0.5245 0.4311
0.0670 0.0415 0.4650 0.4640

Mole fraction [ref]

Operational conditions:

Fixed Measured
Mole fraction of 1,4-Butanediol (1) - Liquid mixture 2 Mole fraction of Water (3) - Liquid mixture 2 Mole fraction of Water (3) - Liquid mixture 1 Mole fraction of 1,4-Butanediol (1) - Liquid mixture 1
0.0155 0.0136 0.8290 0.1653
0.0267 0.0192 0.7345 0.2525
0.0365 0.0245 0.6343 0.3432
0.0418 0.0274 0.5245 0.4311
0.0670 0.0415 0.4650 0.4640

Sources