Mixture of 5-Hydroxymethylfurfural + 1-Hexanol + 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-Hexanol
InChI: InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3
InChI Key: ZSIAUFGUXNUGDI-UHFFFAOYSA-N
Formula: C6H14O
SMILES: CCCCCCO
Mol. Weight (g/mol): 102.17
CAS: 111-27-3

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

Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Datasets

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

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
0.0793	0.0000
0.1038	0.0901
0.1124	0.1773
0.1327	0.2603
0.1627	0.3346
0.2338	0.4211
0.2611	0.4429
0.3069	0.4557
0.3905	0.4723
0.4611	0.4561
0.5347	0.4063
0.5770	0.3806
0.6846	0.2904
0.7891	0.1956
0.8889	0.0978
0.9945	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
0.1025	0.8698	0.0911	0.0958
0.1513	0.8229	0.1001	0.1489
0.2510	0.7172	0.1263	0.2515
0.3042	0.6571	0.1392	0.2911
0.3644	0.5922	0.1546	0.3286

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
0.0793	0.0000
0.1038	0.0901
0.1124	0.1773
0.1327	0.2603
0.1627	0.3346
0.2338	0.4211
0.2611	0.4429
0.3069	0.4557
0.3905	0.4723
0.4611	0.4561
0.5347	0.4063
0.5770	0.3806
0.6846	0.2904
0.7891	0.1956
0.8889	0.0978
0.9945	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
0.1025	0.8698	0.0911	0.0958
0.1513	0.8229	0.1001	0.1489
0.2510	0.7172	0.1263	0.2515
0.3042	0.6571	0.1392	0.2911
0.3644	0.5922	0.1546	0.3286

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
0.0793	0.0000	1.4109
0.1038	0.0901	1.4182
0.1124	0.1773	1.425
0.1327	0.2603	1.4343
0.1627	0.3346	1.4386
0.2338	0.4211	1.4406
0.2611	0.4429	1.4424
0.3069	0.4557	1.4441
0.3905	0.4723	1.4415
0.4611	0.4561	1.4337
0.5347	0.4063	1.4234
0.5770	0.3806	1.4137
0.6846	0.2904	1.3918
0.7891	0.1956	1.3723
0.8889	0.0978	1.3522
0.9945	0.0000	1.3334

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
0.0793	0.0000	1.4109
0.1038	0.0901	1.4182
0.1124	0.1773	1.425
0.1327	0.2603	1.4343
0.1627	0.3346	1.4386
0.2338	0.4211	1.4406
0.2611	0.4429	1.4424
0.3069	0.4557	1.4441
0.3905	0.4723	1.4415
0.4611	0.4561	1.4337
0.5347	0.4063	1.4234
0.5770	0.3806	1.4137
0.6846	0.2904	1.3918
0.7891	0.1956	1.3723
0.8889	0.0978	1.3522
0.9945	0.0000	1.3334

Sources

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