Mixture of Furfural + Acetic acid + Water

Name: Furfural
InChI: InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H
InChI Key: HYBBIBNJHNGZAN-UHFFFAOYSA-N
Formula: C5H4O2
SMILES: O=Cc1ccco1
Mol. Weight (g/mol): 96.08
CAS: 98-01-1

Name: Acetic acid
InChI: InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)
InChI Key: QTBSBXVTEAMEQO-UHFFFAOYSA-N
Formula: C2H4O2
SMILES: CC(=O)O
Mol. Weight (g/mol): 60.05
CAS: 64-19-7

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

Temperature, K x Mass fraction (4)

Temperature, K x Mass fraction [ref]

Operational condition: Pressure, kPa = 101 (Liquid mixture 2)

Fixed		Measured
Temperature, K - Liquid mixture 1	Mass fraction of Furfural (1) - Liquid mixture 2	Mass fraction of Acetic acid (2) - Liquid mixture 2	Mass fraction of Acetic acid (2) - Liquid mixture 1	Mass fraction of Furfural (1) - Liquid mixture 1
298.10	0.2332	0.1599	0.1276	0.7188
297.80	0.1475	0.1052	0.0716	0.8398
297.50	0.1022	0.0480	0.0278	0.9171
297.20	0.0918	0.0256	0.0140	0.9413
323.20	0.2689	0.1292	0.1048	0.7226
322.70	0.1971	0.1031	0.0762	0.7951
322.20	0.1316	0.0468	0.0299	0.8916
321.70	0.1132	0.0248	0.0151	0.9211
342.50	0.2955	0.0998	0.0806	0.7272
341.80	0.1706	0.0455	0.0317	0.8594
341.40	0.1486	0.0243	0.0160	0.8952
343.20	0.2994	0.1033	0.0854	0.7050

Mole fraction [ref]

Operational conditions:

Temperature, K = 298.15 (Liquid mixture 2)
Pressure, kPa = 101.3 (Liquid mixture 2)

Fixed	Measured
Mole fraction of Furfural (1) - Liquid mixture 1	Mole fraction of Acetic acid (2) - Liquid mixture 1	Mole fraction of Acetic acid (2) - Liquid mixture 2	Mole fraction of Furfural (1) - Liquid mixture 2
0.3667	0.1073	0.0578	0.0526
0.5651	0.0710	0.0294	0.0284

Temperature, K x Mass fraction [ref]

Operational condition: Pressure, kPa = 101 (Liquid mixture 2)

Fixed		Measured
Temperature, K - Liquid mixture 1	Mass fraction of Furfural (1) - Liquid mixture 2	Mass fraction of Acetic acid (2) - Liquid mixture 2	Mass fraction of Acetic acid (2) - Liquid mixture 1	Mass fraction of Furfural (1) - Liquid mixture 1
298.10	0.2332	0.1599	0.1276	0.7188
297.80	0.1475	0.1052	0.0716	0.8398
297.50	0.1022	0.0480	0.0278	0.9171
297.20	0.0918	0.0256	0.0140	0.9413
323.20	0.2689	0.1292	0.1048	0.7226
322.70	0.1971	0.1031	0.0762	0.7951
322.20	0.1316	0.0468	0.0299	0.8916
321.70	0.1132	0.0248	0.0151	0.9211
342.50	0.2955	0.0998	0.0806	0.7272
341.80	0.1706	0.0455	0.0317	0.8594
341.40	0.1486	0.0243	0.0160	0.8952
343.20	0.2994	0.1033	0.0854	0.7050

Mole fraction [ref]

Operational conditions:

Temperature, K = 298.15 (Liquid mixture 2)
Pressure, kPa = 101.3 (Liquid mixture 2)

Fixed	Measured
Mole fraction of Furfural (1) - Liquid mixture 1	Mole fraction of Acetic acid (2) - Liquid mixture 1	Mole fraction of Acetic acid (2) - Liquid mixture 2	Mole fraction of Furfural (1) - Liquid mixture 2
0.3667	0.1073	0.0578	0.0526
0.5651	0.0710	0.0294	0.0284

Sources