Mixture of Acetonitrile + Dodecane + Pentanoic acid

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: Pentanoic acid
InChI: InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)
InChI Key: NQPDZGIKBAWPEJ-UHFFFAOYSA-N
Formula: C5H10O2
SMILES: CCCCC(=O)O
Mol. Weight (g/mol): 102.13
CAS: 109-52-4

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Datasets

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

Mole fraction of Pentanoic acid (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 Pentanoic acid (3) - Liquid mixture 1
0.0400	0.0000
0.0500	0.0720
0.0600	0.2311
0.0800	0.3504
0.1798	0.4025
0.3516	0.4236
0.5099	0.3731
0.7327	0.2347
0.7988	0.1734
0.8719	0.1000
0.9252	0.0400
0.9342	0.0238
0.9549	0.0113
0.9560	0.0100

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 Pentanoic acid (3) - Liquid mixture 2	Mole fraction of Acetonitrile (1) - Liquid mixture 1	Mole fraction of Pentanoic acid (3) - Liquid mixture 1
0.6594	0.2900	0.0382	0.0832
0.4217	0.4100	0.0398	0.0523
0.7169	0.2400	0.0424	0.0340
0.8124	0.1600	0.0487	0.0118

Mole fraction of Pentanoic acid (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 Pentanoic acid (3) - Liquid mixture 1
0.0400	0.0000
0.0500	0.0720
0.0600	0.2311
0.0800	0.3504
0.1798	0.4025
0.3516	0.4236
0.5099	0.3731
0.7327	0.2347
0.7988	0.1734
0.8719	0.1000
0.9252	0.0400
0.9342	0.0238
0.9549	0.0113
0.9560	0.0100

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 Pentanoic acid (3) - Liquid mixture 2	Mole fraction of Acetonitrile (1) - Liquid mixture 1	Mole fraction of Pentanoic acid (3) - Liquid mixture 1
0.6594	0.2900	0.0382	0.0832
0.4217	0.4100	0.0398	0.0523
0.7169	0.2400	0.0424	0.0340
0.8124	0.1600	0.0487	0.0118

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 Pentanoic acid (3) - Liquid	Refractive index (Na D-line) - Liquid
0.0382	0.0832	1.4037
0.0398	0.0523	1.3986
0.0424	0.0340	1.3932
0.0487	0.0118	1.3856
0.6594	0.2900	1.4099
0.4217	0.4100	1.3826
0.7169	0.2400	1.3678
0.8124	0.1600	1.3617

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 Pentanoic acid (3) - Liquid	Refractive index (Na D-line) - Liquid
0.0382	0.0832	1.4037
0.0398	0.0523	1.3986
0.0424	0.0340	1.3932
0.0487	0.0118	1.3856
0.6594	0.2900	1.4099
0.4217	0.4100	1.3826
0.7169	0.2400	1.3678
0.8124	0.1600	1.3617

Sources

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