Mixture of Isobutyl acetate + Acetic acid, mercapto- + Water

Name: Isobutyl acetate
InChI: InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3
InChI Key: GJRQTCIYDGXPES-UHFFFAOYSA-N
Formula: C6H12O2
SMILES: CC(=O)OCC(C)C
Mol. Weight (g/mol): 116.16
CAS: 110-19-0

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 Isobutyl acetate (1) - Liquid mixture 1	Mass fraction of Acetic acid, mercapto- (2) - Liquid mixture 1
0.9516	0.0316
0.8827	0.0940
0.8179	0.1471
0.6229	0.3038
0.4906	0.3861
0.4014	0.4264
0.3317	0.4469
0.2730	0.4533
0.2168	0.4536
0.1628	0.4512
0.0589	0.3992
0.0214	0.3166
0.0116	0.2177
0.0094	0.1144
0.0006	0.0041

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 Isobutyl acetate (1) - Liquid mixture 2	Mass fraction of Isobutyl acetate (1) - Liquid mixture 1	Mass fraction of Acetic acid, mercapto- (2) - Liquid mixture 1
0.1279	0.8417	0.0016	0.0833
0.1731	0.7881	0.0021	0.1015
0.2093	0.7442	0.0026	0.1211
0.2452	0.6993	0.0033	0.1402
0.2817	0.6520	0.0040	0.1570
0.3058	0.6193	0.0048	0.1741
0.3406	0.5691	0.0060	0.1932
0.3629	0.5342	0.0077	0.2161

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 Isobutyl acetate (1) - Liquid mixture 1	Mass fraction of Acetic acid, mercapto- (2) - Liquid mixture 1
0.9516	0.0316
0.8827	0.0940
0.8179	0.1471
0.6229	0.3038
0.4906	0.3861
0.4014	0.4264
0.3317	0.4469
0.2730	0.4533
0.2168	0.4536
0.1628	0.4512
0.0589	0.3992
0.0214	0.3166
0.0116	0.2177
0.0094	0.1144
0.0006	0.0041

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 Isobutyl acetate (1) - Liquid mixture 2	Mass fraction of Isobutyl acetate (1) - Liquid mixture 1	Mass fraction of Acetic acid, mercapto- (2) - Liquid mixture 1
0.1279	0.8417	0.0016	0.0833
0.1731	0.7881	0.0021	0.1015
0.2093	0.7442	0.0026	0.1211
0.2452	0.6993	0.0033	0.1402
0.2817	0.6520	0.0040	0.1570
0.3058	0.6193	0.0048	0.1741
0.3406	0.5691	0.0060	0.1932
0.3629	0.5342	0.0077	0.2161

Sources

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