Mixture of Ethanol + Water + Caryophyllene

Name: Ethanol
InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
InChI Key: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
Formula: C2H6O
SMILES: CCO
Mol. Weight (g/mol): 46.07
CAS: 64-17-5

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

Name: Caryophyllene
InChI: InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6+/t13-,14-/m1/s1
InChI Key: NPNUFJAVOOONJE-GFUGXAQUSA-N
Formula: C15H24
SMILES: C=C1CC/C=C(\C)CC[C@@H]2[C@@H]1CC2(C)C
Mol. Weight (g/mol): 204.36
CAS: 87-44-5

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Datasets

Mass fraction

Mass fraction [ref]

Operational conditions:

Temperature, K = 298.2 (Liquid mixture 2)
Pressure, kPa = 100 (Liquid mixture 2)

Fixed	Measured
Mass fraction of Caryophyllene (3) - Liquid mixture 2	Mass fraction of Ethanol (1) - Liquid mixture 2	Mass fraction of Ethanol (1) - Liquid mixture 1	Mass fraction of Caryophyllene (3) - Liquid mixture 1
0.2414	0.7040	0.0739	0.9235
0.0970	0.7900	0.0350	0.9630
0.0527	0.7840	0.0226	0.9761
0.0240	0.7410	0.0161	0.9826
0.0160	0.7100	0.0145	0.9820
0.2090	0.7390	0.0793	0.9184
0.0831	0.7986	0.0350	0.9630
0.0476	0.7830	0.0250	0.9740
0.0246	0.7400	0.0190	0.9799
0.0156	0.7110	0.0165	0.9822

Sources

(Liquid + liquid) equilibrium for systems composed of clove and allspice essential oil compounds and hydrous ethanol at T = 298.2 K

Note: These property values are available through the Cheméo API. A free account gives you an access key.