Mixture of Acetic acid, butyl ester + Acetic acid, mercapto- + Water

Name: Acetic acid, butyl ester
InChI: InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3
InChI Key: DKPFZGUDAPQIHT-UHFFFAOYSA-N
Formula: C6H12O2
SMILES: CCCCOC(C)=O
Mol. Weight (g/mol): 116.16
CAS: 123-86-4

Name: Acetic acid, mercapto-
InChI: InChI=1S/C2H4O2S/c3-2(4)1-5/h5H,1H2,(H,3,4)
InChI Key: CWERGRDVMFNCDR-UHFFFAOYSA-N
Formula: C2H4O2S
SMILES: O=C(O)CS
Mol. Weight (g/mol): 92.12
CAS: 68-11-1

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

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Datasets

Mass fraction (4)

Mass fraction of Acetic acid, mercapto- (2) [ref]

Operational conditions:

Pressure, kPa = 101.3 (Liquid mixture 1)
Temperature, K = 293.15 (Liquid mixture 1)

Mass fraction of Acetic acid, butyl ester (1) - Liquid mixture 1	Mass fraction of Acetic acid, mercapto- (2) - Liquid mixture 1
0.9275	0.0529
0.8440	0.1235
0.7649	0.1898
0.6886	0.2517
0.6054	0.3127
0.4912	0.3858
0.3309	0.4470
0.2182	0.4522
0.1244	0.4338
0.0602	0.3937
0.0285	0.3384
0.0158	0.2724
0.0112	0.2008
0.0087	0.0922
0.0009	0.0096

Mass fraction [ref]

Operational conditions:

Temperature, K = 293.15 (Liquid mixture 2)
Pressure, kPa = 101.3 (Liquid mixture 2)

Fixed	Measured
Mass fraction of Acetic acid, mercapto- (2) - Liquid mixture 2	Mass fraction of Acetic acid, butyl ester (1) - Liquid mixture 2	Mass fraction of Acetic acid, butyl ester (1) - Liquid mixture 1	Mass fraction of Acetic acid, mercapto- (2) - Liquid mixture 1
0.1432	0.8212	0.0022	0.0880
0.1814	0.7752	0.0026	0.1026
0.2262	0.7197	0.0034	0.1256
0.2576	0.6798	0.0039	0.1380
0.2970	0.6276	0.0050	0.1600
0.3169	0.6001	0.0059	0.1749
0.3550	0.5441	0.0080	0.2032

Mass fraction of Acetic acid, mercapto- (2) [ref]

Operational conditions:

Pressure, kPa = 101.3 (Liquid mixture 1)
Temperature, K = 293.15 (Liquid mixture 1)

Mass fraction of Acetic acid, butyl ester (1) - Liquid mixture 1	Mass fraction of Acetic acid, mercapto- (2) - Liquid mixture 1
0.9275	0.0529
0.8440	0.1235
0.7649	0.1898
0.6886	0.2517
0.6054	0.3127
0.4912	0.3858
0.3309	0.4470
0.2182	0.4522
0.1244	0.4338
0.0602	0.3937
0.0285	0.3384
0.0158	0.2724
0.0112	0.2008
0.0087	0.0922
0.0009	0.0096

Mass fraction [ref]

Operational conditions:

Temperature, K = 293.15 (Liquid mixture 2)
Pressure, kPa = 101.3 (Liquid mixture 2)

Fixed	Measured
Mass fraction of Acetic acid, mercapto- (2) - Liquid mixture 2	Mass fraction of Acetic acid, butyl ester (1) - Liquid mixture 2	Mass fraction of Acetic acid, butyl ester (1) - Liquid mixture 1	Mass fraction of Acetic acid, mercapto- (2) - Liquid mixture 1
0.1432	0.8212	0.0022	0.0880
0.1814	0.7752	0.0026	0.1026
0.2262	0.7197	0.0034	0.1256
0.2576	0.6798	0.0039	0.1380
0.2970	0.6276	0.0050	0.1600
0.3169	0.6001	0.0059	0.1749
0.3550	0.5441	0.0080	0.2032

Sources

Measurement and thermodynamic modelling of ternary liquid-liquid equilibrium for extraction of thioglycolic acid from aqueous solution with different solvents