Mixture of Acetonitrile + Dodecane + Propanoic acid, 2-methyl-

Name: Acetonitrile
InChI: InChI=1S/C2H3N/c1-2-3/h1H3
InChI Key: WEVYAHXRMPXWCK-UHFFFAOYSA-N
Formula: C2H3N
SMILES: CC#N
Mol. Weight (g/mol): 41.05
CAS: 75-05-8

Name: Dodecane
InChI: InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3
InChI Key: SNRUBQQJIBEYMU-UHFFFAOYSA-N
Formula: C12H26
SMILES: CCCCCCCCCCCC
Mol. Weight (g/mol): 170.33
CAS: 112-40-3

Name: Propanoic acid, 2-methyl-
InChI: InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)
InChI Key: KQNPFQTWMSNSAP-UHFFFAOYSA-N
Formula: C4H8O2
SMILES: CC(C)C(=O)O
Mol. Weight (g/mol): 88.11
CAS: 79-31-2

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Datasets

Mole fraction (4)
n₀ - Refractive index (Na D-line) (2)

Mole fraction of Propanoic acid, 2-methyl- (3) [ref]

Operational conditions:

Temperature, K = 303.15 (Liquid mixture 1)
Pressure, kPa = 101 (Liquid mixture 1)

Mole fraction of Acetonitrile (1) - Liquid mixture 1	Mole fraction of Propanoic acid, 2-methyl- (3) - Liquid mixture 1
0.0400	0.0000
0.0600	0.2211
0.0900	0.3511
0.1822	0.4407
0.3607	0.4723
0.4972	0.4289
0.7414	0.2325
0.7925	0.1793
0.8718	0.1044
0.9000	0.0523
0.9355	0.0296
0.9560	0.0120

Mole fraction [ref]

Operational conditions:

Pressure, kPa = 101 (Liquid mixture 2)
Temperature, K = 303.15 (Liquid mixture 2)

Fixed	Measured
Mole fraction of Acetonitrile (1) - Liquid mixture 2	Mole fraction of Propanoic acid, 2-methyl- (3) - Liquid mixture 2	Mole fraction of Propanoic acid, 2-methyl- (3) - Liquid mixture 1	Mole fraction of Acetonitrile (1) - Liquid mixture 1
0.5276	0.3997	0.0756	0.0805
0.6107	0.3401	0.0589	0.0459
0.7693	0.2103	0.0424	0.0452
0.8026	0.1750	0.0236	0.0419
0.8771	0.0990	0.0148	0.0395

Mole fraction of Propanoic acid, 2-methyl- (3) [ref]

Operational conditions:

Temperature, K = 303.15 (Liquid mixture 1)
Pressure, kPa = 101 (Liquid mixture 1)

Mole fraction of Acetonitrile (1) - Liquid mixture 1	Mole fraction of Propanoic acid, 2-methyl- (3) - Liquid mixture 1
0.0400	0.0000
0.0600	0.2211
0.0900	0.3511
0.1822	0.4407
0.3607	0.4723
0.4972	0.4289
0.7414	0.2325
0.7925	0.1793
0.8718	0.1044
0.9000	0.0523
0.9355	0.0296
0.9560	0.0120

Mole fraction [ref]

Operational conditions:

Pressure, kPa = 101 (Liquid mixture 2)
Temperature, K = 303.15 (Liquid mixture 2)

Fixed	Measured
Mole fraction of Acetonitrile (1) - Liquid mixture 2	Mole fraction of Propanoic acid, 2-methyl- (3) - Liquid mixture 2	Mole fraction of Propanoic acid, 2-methyl- (3) - Liquid mixture 1	Mole fraction of Acetonitrile (1) - Liquid mixture 1
0.5276	0.3997	0.0756	0.0805
0.6107	0.3401	0.0589	0.0459
0.7693	0.2103	0.0424	0.0452
0.8026	0.1750	0.0236	0.0419
0.8771	0.0990	0.0148	0.0395

Refractive index (Na D-line) [ref]

Operational conditions:

Pressure, kPa = 101 (Liquid)
Temperature, K = 303.15 (Liquid)

Fixed		Measured
Mole fraction of Acetonitrile (1) - Liquid	Mole fraction of Propanoic acid, 2-methyl- (3) - Liquid	Refractive index (Na D-line) - Liquid
0.0805	0.0756	1.3903
0.0459	0.0589	1.3867
0.0452	0.0424	1.3815
0.0419	0.0236	1.3745
0.0395	0.0148	1.3723
0.5276	0.3997	1.3773
0.6107	0.3401	1.3734
0.7693	0.2103	1.3626
0.8026	0.1750	1.3579
0.8771	0.0990	1.3519

Refractive index (Na D-line) [ref]

Operational conditions:

Pressure, kPa = 101 (Liquid)
Temperature, K = 303.15 (Liquid)

Fixed		Measured
Mole fraction of Acetonitrile (1) - Liquid	Mole fraction of Propanoic acid, 2-methyl- (3) - Liquid	Refractive index (Na D-line) - Liquid
0.0805	0.0756	1.3903
0.0459	0.0589	1.3867
0.0452	0.0424	1.3815
0.0419	0.0236	1.3745
0.0395	0.0148	1.3723
0.5276	0.3997	1.3773
0.6107	0.3401	1.3734
0.7693	0.2103	1.3626
0.8026	0.1750	1.3579
0.8771	0.0990	1.3519

Sources

Liquid liquid equilibria measurements of ternary systems (acetonitrile + a carboxylic acid + dodecane) at 303.15 K