Mixture of Toluene + 2(3H)-Furanone, dihydro-5-methyl- + Heptane

Name: Toluene
InChI: InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3
InChI Key: YXFVVABEGXRONW-UHFFFAOYSA-N
Formula: C7H8
SMILES: Cc1ccccc1
Mol. Weight (g/mol): 92.14
CAS: 108-88-3

Name: 2(3H)-Furanone, dihydro-5-methyl-
InChI: InChI=1S/C5H8O2/c1-4-2-3-5(6)7-4/h4H,2-3H2,1H3
InChI Key: GAEKPEKOJKCEMS-UHFFFAOYSA-N
Formula: C5H8O2
SMILES: CC1CCC(=O)O1
Mol. Weight (g/mol): 100.12
CAS: 108-29-2

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

Mole fraction

Mole fraction [ref]

Operational conditions:

Temperature, K = 298.15 (Liquid mixture 2)
Pressure, kPa = 100 (Liquid mixture 2)

Fixed	Measured
Mole fraction of 2(3H)-Furanone, dihydro-5-methyl- (2) - Liquid mixture 1	Mole fraction of Toluene (1) - Liquid mixture 1	Mole fraction of Toluene (1) - Liquid mixture 2	Mole fraction of 2(3H)-Furanone, dihydro-5-methyl- (2) - Liquid mixture 2
0.0330	0.0000	0.0000	0.9260
0.0470	0.0630	0.0490	0.8660
0.0600	0.1200	0.0940	0.8080
0.0800	0.1700	0.1370	0.7490
0.1160	0.2250	0.1900	0.6590
0.1630	0.2610	0.2280	0.5860
0.2650	0.2860	0.2690	0.4560

Sources

Experimental and Computational Study on Liquid Liquid Equilibrium in Ternary Systems of -Valerolactone, Toluene, and Hydrocarbons

Note: These property values are available through the Cheméo API. A free account gives you an access key.