Mixture of Benzo[b]thiophene + Triethylene glycol + Heptane

Excel

Benzo[b]thiophene

Name
Benzo[b]thiophene
InChI
InChI=1S/C8H6S/c1-2-4-8-7(3-1)5-6-9-8/h1-6H
InChI Key
FCEHBMOGCRZNNI-UHFFFAOYSA-N
Formula
C8H6S
SMILES
c1ccc2sccc2c1
Mol. Weight (g/mol)
134.20
CAS
95-15-8

Triethylene glycol

Name
Triethylene glycol
InChI
InChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2
InChI Key
ZIBGPFATKBEMQZ-UHFFFAOYSA-N
Formula
C6H14O4
SMILES
OCCOCCOCCO
Mol. Weight (g/mol)
150.17
CAS
112-27-6

Heptane

Name
Heptane
InChI
InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3
InChI Key
IMNFDUFMRHMDMM-UHFFFAOYSA-N
Formula
C7H16
SMILES
CCCCCCC
Mol. Weight (g/mol)
100.20
CAS
142-82-5
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 Benzo[b]thiophene (1) - Liquid mixture 2 Mole fraction of Heptane (3) - Liquid mixture 2 Mole fraction of Heptane (3) - Liquid mixture 1 Mole fraction of Benzo[b]thiophene (1) - Liquid mixture 1
0.0000 0.0120 0.9970 0.0000
0.0500 0.0150 0.9500 0.0480
0.1030 0.0170 0.8900 0.1070
0.1660 0.0210 0.8230 0.1730
0.2150 0.0250 0.7750 0.2240
0.2690 0.0400 0.6670 0.3300
0.3260 0.0360 0.5960 0.4000
0.3680 0.0360 0.5310 0.4600
0.3760 0.0360 0.4890 0.5000
0.3840 0.0400 0.4660 0.5220
0.4120 0.0460 0.4150 0.5710
0.4430 0.0530 0.3830 0.5970
0.4460 0.0530 0.3400 0.6400
0.4920 0.0560 0.2820 0.6660
0.6100 0.1010 0.1490 0.6770
0.6020 0.0960 0.1560 0.6800
0.5910 0.0870 0.1740 0.6840
0.5300 0.0710 0.2340 0.6890
0.5400 0.0740 0.2080 0.6890

Mole fraction [ref]

Operational conditions:

Fixed Measured
Mole fraction of Benzo[b]thiophene (1) - Liquid mixture 2 Mole fraction of Heptane (3) - Liquid mixture 2 Mole fraction of Heptane (3) - Liquid mixture 1 Mole fraction of Benzo[b]thiophene (1) - Liquid mixture 1
0.0000 0.0120 0.9970 0.0000
0.0500 0.0150 0.9500 0.0480
0.1030 0.0170 0.8900 0.1070
0.1660 0.0210 0.8230 0.1730
0.2150 0.0250 0.7750 0.2240
0.2690 0.0400 0.6670 0.3300
0.3260 0.0360 0.5960 0.4000
0.3680 0.0360 0.5310 0.4600
0.3760 0.0360 0.4890 0.5000
0.3840 0.0400 0.4660 0.5220
0.4120 0.0460 0.4150 0.5710
0.4430 0.0530 0.3830 0.5970
0.4460 0.0530 0.3400 0.6400
0.4920 0.0560 0.2820 0.6660
0.6100 0.1010 0.1490 0.6770
0.6020 0.0960 0.1560 0.6800
0.5910 0.0870 0.1740 0.6840
0.5300 0.0710 0.2340 0.6890
0.5400 0.0740 0.2080 0.6890

Sources