Mixture of Acetonitrile + Dodecane + Butanoic acid, 3-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: Butanoic acid, 3-methyl-
InChI: InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)
InChI Key: GWYFCOCPABKNJV-UHFFFAOYSA-N
Formula: C5H10O2
SMILES: CC(C)CC(=O)O
Mol. Weight (g/mol): 102.13
CAS: 503-74-2

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Datasets

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

Mole fraction of Butanoic acid, 3-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 Butanoic acid, 3-methyl- (3) - Liquid mixture 1
0.0400	0.0000
0.0500	0.0726
0.0600	0.1633
0.1255	0.3153
0.2661	0.3509
0.4045	0.3506
0.5322	0.3501
0.6090	0.3352
0.7400	0.2205
0.8700	0.0903
0.9522	0.0339
0.9531	0.0224
0.9545	0.0111
0.9560	0.0100

Mole fraction [ref]

Operational conditions:

Pressure, kPa = 101 (Liquid mixture 2)
Temperature, K = 303.15 (Liquid mixture 1)

Fixed	Measured
Mole fraction of Acetonitrile (1) - Liquid mixture 2	Mole fraction of Butanoic acid, 3-methyl- (3) - Liquid mixture 2	Mole fraction of Acetonitrile (1) - Liquid mixture 1	Mole fraction of Butanoic acid, 3-methyl- (3) - Liquid mixture 1
0.5400	0.3438	0.0467	0.0890
0.6891	0.2600	0.0465	0.0741
0.7731	0.1931	0.0462	0.0637
0.8401	0.1320	0.0450	0.0506
0.9100	0.0600	0.0422	0.0365

Mole fraction of Butanoic acid, 3-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 Butanoic acid, 3-methyl- (3) - Liquid mixture 1
0.0400	0.0000
0.0500	0.0726
0.0600	0.1633
0.1255	0.3153
0.2661	0.3509
0.4045	0.3506
0.5322	0.3501
0.6090	0.3352
0.7400	0.2205
0.8700	0.0903
0.9522	0.0339
0.9531	0.0224
0.9545	0.0111
0.9560	0.0100

Mole fraction [ref]

Operational conditions:

Pressure, kPa = 101 (Liquid mixture 2)
Temperature, K = 303.15 (Liquid mixture 1)

Fixed	Measured
Mole fraction of Acetonitrile (1) - Liquid mixture 2	Mole fraction of Butanoic acid, 3-methyl- (3) - Liquid mixture 2	Mole fraction of Acetonitrile (1) - Liquid mixture 1	Mole fraction of Butanoic acid, 3-methyl- (3) - Liquid mixture 1
0.5400	0.3438	0.0467	0.0890
0.6891	0.2600	0.0465	0.0741
0.7731	0.1931	0.0462	0.0637
0.8401	0.1320	0.0450	0.0506
0.9100	0.0600	0.0422	0.0365

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 Butanoic acid, 3-methyl- (3) - Liquid	Refractive index (Na D-line) - Liquid
0.0467	0.0890	1.3998
0.0465	0.0741	1.3845
0.0462	0.0637	1.3721
0.0450	0.0506	1.3676
0.0422	0.0365	1.3632
0.5400	0.3438	1.3795
0.6891	0.2600	1.3768
0.7731	0.1931	1.3656
0.8401	0.1320	1.3592
0.9100	0.0600	1.3534

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 Butanoic acid, 3-methyl- (3) - Liquid	Refractive index (Na D-line) - Liquid
0.0467	0.0890	1.3998
0.0465	0.0741	1.3845
0.0462	0.0637	1.3721
0.0450	0.0506	1.3676
0.0422	0.0365	1.3632
0.5400	0.3438	1.3795
0.6891	0.2600	1.3768
0.7731	0.1931	1.3656
0.8401	0.1320	1.3592
0.9100	0.0600	1.3534

Sources

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