Mixture of Carbonic acid, dimethyl ester + Pentane, 2,2,4-trimethyl- + Water

Name: Carbonic acid, dimethyl ester
InChI: InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3
InChI Key: IEJIGPNLZYLLBP-UHFFFAOYSA-N
Formula: C3H6O3
SMILES: COC(=O)OC
Mol. Weight (g/mol): 90.08
CAS: 616-38-6

Name: Pentane, 2,2,4-trimethyl-
InChI: InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3
InChI Key: NHTMVDHEPJAVLT-UHFFFAOYSA-N
Formula: C8H18
SMILES: CC(C)CC(C)(C)C
Mol. Weight (g/mol): 114.23
CAS: 540-84-1

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

Mole fraction (2)

Mole fraction [ref]

Operational conditions:

Temperature, K = 298.15 (Liquid mixture 1)
Pressure, kPa = 101.3 (Liquid mixture 1)

Fixed	Measured
Mole fraction of Carbonic acid, dimethyl ester (1) - Liquid mixture 1	Mole fraction of Water (3) - Liquid mixture 1	Mole fraction of Water (3) - Liquid mixture 2	Mole fraction of Carbonic acid, dimethyl ester (1) - Liquid mixture 2
0.0000	0.0036	1.0000	0.0000
0.7421	0.1484	0.9796	0.0204
0.6907	0.1344	0.9802	0.0198
0.6387	0.1361	0.9788	0.0212
0.5995	0.1192	0.9802	0.0198
0.5478	0.1004	0.9797	0.0203
0.4539	0.0966	0.9802	0.0198
0.4356	0.0920	0.9846	0.0154
0.3819	0.0855	0.9943	0.0057
0.2854	0.0602	0.9986	0.0014
0.8700	0.1300	0.9834	0.0166

Mole fraction [ref]

Operational conditions:

Temperature, K = 298.15 (Liquid mixture 1)
Pressure, kPa = 101.3 (Liquid mixture 1)

Fixed	Measured
Mole fraction of Carbonic acid, dimethyl ester (1) - Liquid mixture 1	Mole fraction of Water (3) - Liquid mixture 1	Mole fraction of Water (3) - Liquid mixture 2	Mole fraction of Carbonic acid, dimethyl ester (1) - Liquid mixture 2
0.0000	0.0036	1.0000	0.0000
0.7421	0.1484	0.9796	0.0204
0.6907	0.1344	0.9802	0.0198
0.6387	0.1361	0.9788	0.0212
0.5995	0.1192	0.9802	0.0198
0.5478	0.1004	0.9797	0.0203
0.4539	0.0966	0.9802	0.0198
0.4356	0.0920	0.9846	0.0154
0.3819	0.0855	0.9943	0.0057
0.2854	0.0602	0.9986	0.0014
0.8700	0.1300	0.9834	0.0166

Sources

Measurements and Correlation of Liquid Liquid Equilibria of (Water + Ethanol + Dimethyl Carbonate + 2,2,4-Trimethylpentane or n-Heptane) and (Water + Dimethyl Carbonate + n-Heptane + Toluene)