Mixture of 5-Hydroxymethylfurfural + 1-Butanol + Water

Datasets

1. Mass fraction (8)
2. n₀ - Refractive index (Na D-line) (2)
3. ρ_l - Mass density, kg/m3 (2)

Mass fraction [ref]

Operational conditions:

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

Fixed	Measured
Mass fraction of 1-Butanol (2) - Liquid mixture 2	Mass fraction of 5-Hydroxymethylfurfural (1) - Liquid mixture 2	Mass fraction of 1-Butanol (2) - Liquid mixture 1	Mass fraction of 5-Hydroxymethylfurfural (1) - Liquid mixture 1
0.7702	0.0484	0.0831	0.0261
0.7400	0.0723	0.0982	0.0380
0.6730	0.1025	0.1093	0.0590
0.6127	0.1321	0.0989	0.0777
0.5758	0.1446	0.1277	0.0970
0.5077	0.1886	0.1342	0.1240
0.4470	0.1999	0.1448	0.1379

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

Operational conditions:

• Temperature, K = 298.2 (Liquid mixture 1)
• Pressure, kPa = 100 (Liquid mixture 1)

Mass fraction of Water (3) - Liquid mixture 1	Mass fraction of 5-Hydroxymethylfurfural (1) - Liquid mixture 1
0.2058	0.0000
0.2127	0.0161
0.2204	0.0311
0.2381	0.0676
0.3379	0.1658
0.3979	0.1873
0.4812	0.1843
0.5747	0.1714
0.6559	0.1538
0.7131	0.1363
0.7919	0.0987
0.8535	0.0591
0.8860	0.0362
0.9265	0.0000

Mass fraction [ref]

Operational conditions:

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

Fixed	Measured
Mass fraction of Water (3) - Liquid mixture 2	Mass fraction of 5-Hydroxymethylfurfural (1) - Liquid mixture 2	Mass fraction of 5-Hydroxymethylfurfural (1) - Liquid mixture 1	Mass fraction of Water (3) - Liquid mixture 1
0.9085	0.0151	0.0329	0.2209
0.8907	0.0301	0.0859	0.2464
0.8716	0.0450	0.1180	0.2742
0.8480	0.0674	0.1507	0.3117
0.8068	0.0924	0.1848	0.4006

Temperature, K x Mass fraction [ref]

Operational condition: Pressure, kPa = 100 (Liquid mixture 2)

Fixed		Measured
Temperature, K - Liquid mixture 1	Mass fraction of 1-Butanol (2) - Liquid mixture 2	Mass fraction of 5-Hydroxymethylfurfural (1) - Liquid mixture 2	Mass fraction of 1-Butanol (2) - Liquid mixture 1	Mass fraction of 5-Hydroxymethylfurfural (1) - Liquid mixture 1
313.15	0.7580	0.0190	0.0690	0.0070
323.15	0.5470	0.1500	0.0960	0.0830
323.15	0.4930	0.1790	0.1150	0.1080
333.15	0.7400	0.0140	0.0690	0.0050
333.15	0.6640	0.0470	0.0900	0.0200
333.15	0.5420	0.1470	0.0980	0.0820
333.15	0.4770	0.1770	0.1170	0.1040
313.15	0.7190	0.0410	0.0680	0.0160
313.15	0.6770	0.0780	0.0810	0.0390
313.15	0.6140	0.1220	0.0800	0.0590
313.15	0.5710	0.1540	0.0880	0.0810
313.15	0.5200	0.1830	0.1030	0.1090
323.15	0.7480	0.0210	0.0660	0.0070
323.15	0.6710	0.0800	0.0830	0.0350
323.15	0.6020	0.1160	0.0890	0.0580

Mass fraction [ref]

Operational conditions:

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

Fixed	Measured
Mass fraction of 1-Butanol (2) - Liquid mixture 2	Mass fraction of 5-Hydroxymethylfurfural (1) - Liquid mixture 2	Mass fraction of 1-Butanol (2) - Liquid mixture 1	Mass fraction of 5-Hydroxymethylfurfural (1) - Liquid mixture 1
0.7702	0.0484	0.0831	0.0261
0.7400	0.0723	0.0982	0.0380
0.6730	0.1025	0.1093	0.0590
0.6127	0.1321	0.0989	0.0777
0.5758	0.1446	0.1277	0.0970
0.5077	0.1886	0.1342	0.1240
0.4470	0.1999	0.1448	0.1379

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

Operational conditions:

• Temperature, K = 298.2 (Liquid mixture 1)
• Pressure, kPa = 100 (Liquid mixture 1)

Mass fraction of Water (3) - Liquid mixture 1	Mass fraction of 5-Hydroxymethylfurfural (1) - Liquid mixture 1
0.2058	0.0000
0.2127	0.0161
0.2204	0.0311
0.2381	0.0676
0.3379	0.1658
0.3979	0.1873
0.4812	0.1843
0.5747	0.1714
0.6559	0.1538
0.7131	0.1363
0.7919	0.0987
0.8535	0.0591
0.8860	0.0362
0.9265	0.0000

Mass fraction [ref]

Operational conditions:

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

Fixed	Measured
Mass fraction of Water (3) - Liquid mixture 2	Mass fraction of 5-Hydroxymethylfurfural (1) - Liquid mixture 2	Mass fraction of 5-Hydroxymethylfurfural (1) - Liquid mixture 1	Mass fraction of Water (3) - Liquid mixture 1
0.9085	0.0151	0.0329	0.2209
0.8907	0.0301	0.0859	0.2464
0.8716	0.0450	0.1180	0.2742
0.8480	0.0674	0.1507	0.3117
0.8068	0.0924	0.1848	0.4006

Temperature, K x Mass fraction [ref]

Operational condition: Pressure, kPa = 100 (Liquid mixture 2)

Fixed		Measured
Temperature, K - Liquid mixture 1	Mass fraction of 1-Butanol (2) - Liquid mixture 2	Mass fraction of 5-Hydroxymethylfurfural (1) - Liquid mixture 2	Mass fraction of 1-Butanol (2) - Liquid mixture 1	Mass fraction of 5-Hydroxymethylfurfural (1) - Liquid mixture 1
313.15	0.7580	0.0190	0.0690	0.0070
323.15	0.5470	0.1500	0.0960	0.0830
323.15	0.4930	0.1790	0.1150	0.1080
333.15	0.7400	0.0140	0.0690	0.0050
333.15	0.6640	0.0470	0.0900	0.0200
333.15	0.5420	0.1470	0.0980	0.0820
333.15	0.4770	0.1770	0.1170	0.1040
313.15	0.7190	0.0410	0.0680	0.0160
313.15	0.6770	0.0780	0.0810	0.0390
313.15	0.6140	0.1220	0.0800	0.0590
313.15	0.5710	0.1540	0.0880	0.0810
313.15	0.5200	0.1830	0.1030	0.1090
323.15	0.7480	0.0210	0.0660	0.0070
323.15	0.6710	0.0800	0.0830	0.0350
323.15	0.6020	0.1160	0.0890	0.0580

Refractive index (Na D-line) [ref]

Operational conditions:

• Temperature, K = 298.2 (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
0.2058	0.0000	1.3885
0.2127	0.0161	1.3901
0.2204	0.0311	1.3914
0.2381	0.0676	1.3946
0.3379	0.1658	1.3985
0.3979	0.1873	1.4008
0.4812	0.1843	1.3997
0.5747	0.1714	1.3943
0.6559	0.1538	1.3863
0.7131	0.1363	1.3785
0.7919	0.0987	1.3725
0.8535	0.0591	1.3525
0.8860	0.0362	1.3473
0.9265	0.0000	1.3402

Refractive index (Na D-line) [ref]

Operational conditions:

• Temperature, K = 298.2 (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
0.2058	0.0000	1.3885
0.2127	0.0161	1.3901
0.2204	0.0311	1.3914
0.2381	0.0676	1.3946
0.3379	0.1658	1.3985
0.3979	0.1873	1.4008
0.4812	0.1843	1.3997
0.5747	0.1714	1.3943
0.6559	0.1538	1.3863
0.7131	0.1363	1.3785
0.7919	0.0987	1.3725
0.8535	0.0591	1.3525
0.8860	0.0362	1.3473
0.9265	0.0000	1.3402

Mass density, kg/m3 [ref]

Operational conditions:

• Temperature, K = 298.2 (Liquid)
• Pressure, kPa = 100 (Liquid)

Fixed		Measured
Mass fraction of Water (3) - Liquid	Mass fraction of 5-Hydroxymethylfurfural (1) - Liquid	Mass density, kg/m3 - Liquid
0.2058	0.0000	844.74
0.2127	0.0161	851.14
0.2204	0.0311	857.66
0.2381	0.0676	873.62
0.3379	0.1658	897.49
0.3979	0.1873	929.88
0.4812	0.1843	951.04
0.5747	0.1714	968.21
0.6559	0.1538	983.62
0.7131	0.1363	994.01
0.7919	0.0987	999.34
0.8535	0.0591	996.5
0.8860	0.0362	993.24
0.9265	0.0000	986.16

Mass density, kg/m3 [ref]

Operational conditions:

• Temperature, K = 298.2 (Liquid)
• Pressure, kPa = 100 (Liquid)

Fixed		Measured
Mass fraction of Water (3) - Liquid	Mass fraction of 5-Hydroxymethylfurfural (1) - Liquid	Mass density, kg/m3 - Liquid
0.2058	0.0000	844.74
0.2127	0.0161	851.14
0.2204	0.0311	857.66
0.2381	0.0676	873.62
0.3379	0.1658	897.49
0.3979	0.1873	929.88
0.4812	0.1843	951.04
0.5747	0.1714	968.21
0.6559	0.1538	983.62
0.7131	0.1363	994.01
0.7919	0.0987	999.34
0.8535	0.0591	996.5
0.8860	0.0362	993.24
0.9265	0.0000	986.16

Sources

• Influence of electrolytes on liquid-liquid equilibria of water/1-butanol and on the partitioning of 5-hydroxymethylfurfural in water/1-butanol
• Liquid-liquid equilibrium in systems used for the production of 5-hydroxymethylfurfural from biomass using alcohols as solvents
• Liquid-Liquid Equilibrium for Ternary Systems, Water + 5-Hydroxymethylfurfural + (1-Butanol, Isobutanol, Methyl Isobutyl Ketone), at 313.15, 323.15, and 333.15 K