Mixture of Diethyl malonate + Formic acid + Water

Name: Diethyl malonate
InChI: InChI=1S/C7H12O4/c1-3-10-6(8)5-7(9)11-4-2/h3-5H2,1-2H3
InChI Key: IYXGSMUGOJNHAZ-UHFFFAOYSA-N
Formula: C7H12O4
SMILES: CCOC(=O)CC(=O)OCC
Mol. Weight (g/mol): 160.17
CAS: 105-53-3

Name: Formic acid
InChI: InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)
InChI Key: BDAGIHXWWSANSR-UHFFFAOYSA-N
Formula: CH2O2
SMILES: O=CO
Mol. Weight (g/mol): 46.03
CAS: 64-18-6

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 (6)

Mole fraction of Formic acid (2) [ref]

Operational conditions:

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

Mole fraction of Water (3) - Liquid mixture 1	Mole fraction of Formic acid (2) - Liquid mixture 1
0.4196	0.0000
0.4512	0.0834
0.4831	0.1661
0.5294	0.2291
0.6276	0.2227
0.6885	0.2175
0.7408	0.2013
0.8040	0.1693
0.8477	0.1374
0.9012	0.0917
0.9586	0.0377
0.9975	0.0000

Mole fraction of Diethyl malonate (1) [ref]

Operational conditions:

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

Mole fraction of Water (3) - Liquid mixture 1	Mole fraction of Diethyl malonate (1) - Liquid mixture 1
0.4196	0.5804
0.4512	0.4654
0.4831	0.3508
0.5294	0.2415
0.6276	0.1497
0.6885	0.0940
0.7408	0.0579
0.8040	0.0267
0.8477	0.0149
0.9012	0.0071
0.9586	0.0037
0.9975	0.0025

Mole fraction [ref]

Operational conditions:

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

Fixed	Measured
Mole fraction of Water (3) - Liquid mixture 1	Mole fraction of Formic acid (2) - Liquid mixture 1	Mole fraction of Water (3) - Liquid mixture 2	Mole fraction of Formic acid (2) - Liquid mixture 2
0.9643	0.0322	0.4401	0.0523
0.9393	0.0562	0.4554	0.0896
0.8984	0.0943	0.4770	0.1497
0.8710	0.1177	0.4857	0.1806
0.8350	0.1471	0.5233	0.2162

Mole fraction of Formic acid (2) [ref]

Operational conditions:

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

Mole fraction of Water (3) - Liquid mixture 1	Mole fraction of Formic acid (2) - Liquid mixture 1
0.4196	0.0000
0.4512	0.0834
0.4831	0.1661
0.5294	0.2291
0.6276	0.2227
0.6885	0.2175
0.7408	0.2013
0.8040	0.1693
0.8477	0.1374
0.9012	0.0917
0.9586	0.0377
0.9975	0.0000

Mole fraction of Diethyl malonate (1) [ref]

Operational conditions:

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

Mole fraction of Water (3) - Liquid mixture 1	Mole fraction of Diethyl malonate (1) - Liquid mixture 1
0.4196	0.5804
0.4512	0.4654
0.4831	0.3508
0.5294	0.2415
0.6276	0.1497
0.6885	0.0940
0.7408	0.0579
0.8040	0.0267
0.8477	0.0149
0.9012	0.0071
0.9586	0.0037
0.9975	0.0025

Mole fraction [ref]

Operational conditions:

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

Fixed	Measured
Mole fraction of Water (3) - Liquid mixture 1	Mole fraction of Formic acid (2) - Liquid mixture 1	Mole fraction of Water (3) - Liquid mixture 2	Mole fraction of Formic acid (2) - Liquid mixture 2
0.9643	0.0322	0.4401	0.0523
0.9393	0.0562	0.4554	0.0896
0.8984	0.0943	0.4770	0.1497
0.8710	0.1177	0.4857	0.1806
0.8350	0.1471	0.5233	0.2162

Sources

Liquid phase equilibria of (water + formic acid + diethyl carbonate or diethyl malonate or diethyl fumarate) ternary systems at 298.15K and atmospheric pressure