Mixture of Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1«alpha»,2«beta»,5«alpha»)- + Pentanoic acid, 4-oxo- + Heptane

Name: Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1«alpha»,2«beta»,5«alpha»)-
InChI: InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10-/m1/s1
InChI Key: NOOLISFMXDJSKH-KXUCPTDWSA-N
Formula: C10H20O
SMILES: CC1CCC(C(C)C)C(O)C1
Mol. Weight (g/mol): 156.27
CAS: 89-78-1

Name: Pentanoic acid, 4-oxo-
InChI: InChI=1S/C5H8O3/c1-4(6)2-3-5(7)8/h2-3H2,1H3,(H,7,8)
InChI Key: JOOXCMJARBKPKM-UHFFFAOYSA-N
Formula: C5H8O3
SMILES: CC(=O)CCC(=O)O
Mol. Weight (g/mol): 116.12
CAS: 123-76-2

Name: Heptane
InChI: InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3
InChI Key: IMNFDUFMRHMDMM-UHFFFAOYSA-N
Formula: C7H16
SMILES: CCCCCCC
Mol. Weight (g/mol): 100.20
CAS: 142-82-5

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Datasets

Mass fraction

Mass fraction [ref]

Operational conditions:

Temperature, K = 293.95 (Liquid mixture 1)
Pressure, kPa = 101 (Liquid mixture 2)

Fixed	Measured
Mass fraction of Heptane (3) - Liquid mixture 2	Mass fraction of Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1«alpha»,2«beta»,5«alpha»)- (1) - Liquid mixture 2	Mass fraction of Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1«alpha»,2«beta»,5«alpha»)- (1) - Liquid mixture 1	Mass fraction of Heptane (3) - Liquid mixture 1
0.0424	0.1893	0.3163	0.5606
0.0422	0.1890	0.3175	0.5589
0.0421	0.1890	0.3175	0.5585

Sources

Liquid-liquid equilibria of n-heptane, methanol and deep eutectic solvents composed of carboxylic acid and monocyclic terpenes

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