Mixture of Carbonic acid, dimethyl ester + Heptane + 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: 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

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

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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	0.0007	1.0000	0.0000
0.8083	0.0732	0.9781	0.0219
0.7265	0.0644	0.9792	0.0208
0.6812	0.0668	0.9794	0.0206
0.6165	0.0621	0.9798	0.0202
0.5449	0.0503	0.9844	0.0156
0.4798	0.0427	0.9803	0.0197
0.4444	0.0462	0.9819	0.0181
0.2789	0.0287	0.9840	0.0160
0.3015	0.0314	0.9993	0.0007
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	0.0007	1.0000	0.0000
0.8083	0.0732	0.9781	0.0219
0.7265	0.0644	0.9792	0.0208
0.6812	0.0668	0.9794	0.0206
0.6165	0.0621	0.9798	0.0202
0.5449	0.0503	0.9844	0.0156
0.4798	0.0427	0.9803	0.0197
0.4444	0.0462	0.9819	0.0181
0.2789	0.0287	0.9840	0.0160
0.3015	0.0314	0.9993	0.0007
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)