Mixture of Propanoic acid + Water + 2-Butenedioic acid (Z)-, dibutyl ester

Name: Propanoic acid
InChI: InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)
InChI Key: XBDQKXXYIPTUBI-UHFFFAOYSA-N
Formula: C3H6O2
SMILES: CCC(=O)O
Mol. Weight (g/mol): 74.08
CAS: 79-09-4

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

Name: 2-Butenedioic acid (Z)-, dibutyl ester
InChI: InChI=1S/C12H20O4/c1-3-5-9-15-11(13)7-8-12(14)16-10-6-4-2/h7-8H,3-6,9-10H2,1-2H3/b8-7-
InChI Key: JBSLOWBPDRZSMB-FPLPWBNLSA-N
Formula: C12H20O4
SMILES: CCCCOC(=O)C=CC(=O)OCCCC
Mol. Weight (g/mol): 228.28
CAS: 105-76-0

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Datasets

Mole fraction (4)

Mole fraction of Propanoic acid (1) [ref]

Operational conditions:

Temperature, K = 298.15 (Liquid mixture 1)
Pressure, kPa = 101 (Liquid mixture 1)

Mole fraction of Water (2) - Liquid mixture 1	Mole fraction of Propanoic acid (1) - Liquid mixture 1
1.0000	0.0000
0.9725	0.0275
0.9389	0.0610
0.8992	0.1007
0.8461	0.1498
0.7850	0.1988
0.6557	0.2929
0.6313	0.3087
0.4705	0.3874
0.4349	0.3866
0.3178	0.3960
0.0739	0.4107
0.0195	0.2579
0.0175	0.0000

Mole fraction [ref]

Operational conditions:

Temperature, K = 298.2 (Liquid mixture 2)
Pressure, kPa = 101 (Liquid mixture 2)

Fixed	Measured
Mole fraction of Water (2) - Liquid mixture 2	Mole fraction of Propanoic acid (1) - Liquid mixture 2	Mole fraction of Propanoic acid (1) - Liquid mixture 1	Mole fraction of Water (2) - Liquid mixture 1
0.0180	0.1405	0.0114	0.9886
0.0408	0.3176	0.0332	0.9667
0.0661	0.3876	0.0444	0.9555
0.1887	0.4043	0.0539	0.9460
0.2969	0.3973	0.0714	0.9285
0.3937	0.3891	0.0894	0.9104
0.4381	0.3869	0.1064	0.8931
0.5829	0.3342	0.1602	0.8331

Mole fraction of Propanoic acid (1) [ref]

Operational conditions:

Temperature, K = 298.15 (Liquid mixture 1)
Pressure, kPa = 101 (Liquid mixture 1)

Mole fraction of Water (2) - Liquid mixture 1	Mole fraction of Propanoic acid (1) - Liquid mixture 1
1.0000	0.0000
0.9725	0.0275
0.9389	0.0610
0.8992	0.1007
0.8461	0.1498
0.7850	0.1988
0.6557	0.2929
0.6313	0.3087
0.4705	0.3874
0.4349	0.3866
0.3178	0.3960
0.0739	0.4107
0.0195	0.2579
0.0175	0.0000

Mole fraction [ref]

Operational conditions:

Temperature, K = 298.2 (Liquid mixture 2)
Pressure, kPa = 101 (Liquid mixture 2)

Fixed	Measured
Mole fraction of Water (2) - Liquid mixture 2	Mole fraction of Propanoic acid (1) - Liquid mixture 2	Mole fraction of Propanoic acid (1) - Liquid mixture 1	Mole fraction of Water (2) - Liquid mixture 1
0.0180	0.1405	0.0114	0.9886
0.0408	0.3176	0.0332	0.9667
0.0661	0.3876	0.0444	0.9555
0.1887	0.4043	0.0539	0.9460
0.2969	0.3973	0.0714	0.9285
0.3937	0.3891	0.0894	0.9104
0.4381	0.3869	0.1064	0.8931
0.5829	0.3342	0.1602	0.8331

Sources

Correlation of Experimental Liquid Liquid Equilibrium Data for Ternary Systems Using NRTL and GMDH-Type Neural Network