Mixture of 5-Hydroxymethylfurfural + 1-Heptanol + Water

Name: 5-Hydroxymethylfurfural
InChI: InChI=1S/C6H6O3/c7-3-5-1-2-6(4-8)9-5/h1-3,8H,4H2
InChI Key: NOEGNKMFWQHSLB-UHFFFAOYSA-N
Formula: C6H6O3
SMILES: O=Cc1ccc(CO)o1
Mol. Weight (g/mol): 126.11
CAS: 67-47-0

Name: 1-Heptanol
InChI: InChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3
InChI Key: BBMCTIGTTCKYKF-UHFFFAOYSA-N
Formula: C7H16O
SMILES: CCCCCCCO
Mol. Weight (g/mol): 116.20
CAS: 111-70-6

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

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Datasets

Mass fraction (2)
n₀ - Refractive index (Na D-line)

Mass fraction of 5-Hydroxymethylfurfural (1) [ref]

Operational conditions:

Pressure, kPa = 100 (Liquid mixture 1)
Temperature, K = 298.15 (Liquid mixture 1)

Mass fraction of Water (3) - Liquid mixture 1	Mass fraction of 5-Hydroxymethylfurfural (1) - Liquid mixture 1
0.0650	0.0000
0.0739	0.0944
0.0896	0.1838
0.1079	0.2697
0.1307	0.3928
0.1747	0.4968
0.2151	0.5510
0.2312	0.5771
0.2551	0.5870
0.3266	0.5970
0.3799	0.5643
0.4294	0.5163
0.4823	0.4775
0.5849	0.3850
0.6856	0.2879
0.7862	0.1951
0.8858	0.0975
0.9986	0.0000

Mass fraction [ref]

Operational conditions:

Temperature, K = 298.15 (Liquid mixture 2)
Pressure, kPa = 100 (Liquid mixture 2)

Fixed	Measured
Mass fraction of 5-Hydroxymethylfurfural (1) - Liquid mixture 2	Mass fraction of Water (3) - Liquid mixture 2	Mass fraction of Water (3) - Liquid mixture 1	Mass fraction of 5-Hydroxymethylfurfural (1) - Liquid mixture 1
0.0594	0.9376	0.0642	0.0463
0.1070	0.8712	0.0693	0.0749
0.2247	0.7437	0.0789	0.1201
0.3494	0.6091	0.0879	0.1509
0.4488	0.5171	0.0927	0.1777
0.5430	0.4037	0.1051	0.2281

Refractive index (Na D-line) [ref]

Operational conditions:

Temperature, K = 298.15 (Liquid)
Pressure, kPa = 100 (Liquid)

Fixed		Measured
Mass fraction of Water (3) - Liquid	Mass fraction of 5-Hydroxymethylfurfural (1) - Liquid	Refractive index (Na D-line) - Liquid
0.0650	0.0000	1.4176
0.0739	0.0944	1.4254
0.0896	0.1838	1.4327
0.1079	0.2697	1.4477
0.1307	0.3928	1.4646
0.1747	0.4968	1.469
0.2151	0.5510	1.4711
0.2312	0.5771	1.4706
0.2551	0.5870	1.4704
0.3266	0.5970	1.4646
0.3799	0.5643	1.4541
0.4294	0.5163	1.445
0.4823	0.4775	1.4336
0.5849	0.3850	1.4118
0.6856	0.2879	1.3905
0.7862	0.1951	1.3709
0.8858	0.0975	1.3515
0.9986	0.0000	1.3327

Sources

Liquid-liquid equilibrium for (water + 5-hydroxymethylfurfural + 1-pentanol/1-hexanol/1-heptanol) systems at 298.15 K

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