Mixture of 1-Butanol + Water + Butyl citrate

1-Butanol

Name
1-Butanol
InChI
InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3
InChI Key
LRHPLDYGYMQRHN-UHFFFAOYSA-N
Formula
C4H10O
SMILES
CCCCO
Mol. Weight (g/mol)
74.12
CAS
71-36-3

Water

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

Butyl citrate

Name
Butyl citrate
InChI
InChI=1S/C18H32O7/c1-4-7-10-23-15(19)13-18(22,17(21)25-12-9-6-3)14-16(20)24-11-8-5-2/h22H,4-14H2,1-3H3
InChI Key
ZFOZVQLOBQUTQQ-UHFFFAOYSA-N
Formula
C18H32O7
SMILES
CCCCOC(=O)CC(O)(CC(=O)OCCCC)C(=O)OCCCC
Mol. Weight (g/mol)
360.44
CAS
77-94-1
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Datasets

  1. Temperature, K x Mole fraction x Mass fraction (2)

Temperature, K x Mole fraction x Mass fraction [ref]

Operational condition: Pressure, kPa = 74.6 (Liquid mixture 2)

Fixed Measured
Temperature, K - Liquid mixture 2 Mole fraction of 1-Butanol (1) - Liquid mixture 1 Mass fraction of Butyl citrate (3) - Liquid mixture 1 Mass fraction of Butyl citrate (3) - Liquid mixture 2 Mole fraction of 1-Butanol (1) - Liquid mixture 2
298.20 0.2120 0.5680 0.0000 0.0060
298.20 0.4730 0.1440 0.0002 0.0140
298.20 0.5070 0.0290 0.0000 0.0170
298.20 0.5110 0.0450 0.0000 0.0170
298.20 0.4800 0.0560 0.0000 0.0160
298.20 0.4620 0.2020 0.0000 0.0130
298.20 0.4950 0.1060 0.0000 0.0150
298.20 0.5040 0.0210 0.0000 0.0170
298.20 0.5140 0.0650 0.0000 0.0160
298.20 0.5100 0.0420 0.0001 0.0160
298.20 0.4180 0.2490 0.0000 0.0110
298.20 0.4640 0.1850 0.0000 0.0130
298.20 0.1700 0.6510 0.0000 0.0050
313.20 0.0000 0.8200 0.0000 0.0000
313.20 0.5360 0.1220 0.0000 0.0130
313.20 0.5230 0.0190 0.0000 0.0150
313.20 0.5520 0.0380 0.0000 0.0150
313.20 0.5300 0.0640 0.0000 0.0140
313.20 0.4270 0.2720 0.0001 0.0100
313.20 0.5430 0.0130 0.0000 0.0130
313.20 0.0000 0.8100 0.0003 0.0000
313.20 0.5180 0.1130 0.0000 0.0130
313.20 0.5810 0.0210 0.0000 0.0160
313.20 0.5860 0.0400 0.0000 0.0150
313.20 0.6000 0.0680 0.0000 0.0140
313.20 0.4450 0.2800 0.0000 0.0090
313.20 0.4870 0.2260 0.0016 0.0130
313.20 0.3020 0.4380 0.0000 0.0080
343.20 0.1810 0.4770 0.0000 0.0070
343.20 0.1870 0.4650 0.0000 0.0050
343.20 0.4780 0.0540 0.0000 0.0130
343.20 0.4610 0.0490 0.0000 0.0130
343.20 0.4880 0.0880 0.0000 0.0110
343.20 0.4980 0.0960 0.0000 0.0120

Temperature, K x Mole fraction x Mass fraction [ref]

Operational condition: Pressure, kPa = 74.6 (Liquid mixture 2)

Fixed Measured
Temperature, K - Liquid mixture 2 Mole fraction of 1-Butanol (1) - Liquid mixture 1 Mass fraction of Butyl citrate (3) - Liquid mixture 1 Mass fraction of Butyl citrate (3) - Liquid mixture 2 Mole fraction of 1-Butanol (1) - Liquid mixture 2
298.20 0.2120 0.5680 0.0000 0.0060
298.20 0.4730 0.1440 0.0002 0.0140
298.20 0.5070 0.0290 0.0000 0.0170
298.20 0.5110 0.0450 0.0000 0.0170
298.20 0.4800 0.0560 0.0000 0.0160
298.20 0.4620 0.2020 0.0000 0.0130
298.20 0.4950 0.1060 0.0000 0.0150
298.20 0.5040 0.0210 0.0000 0.0170
298.20 0.5140 0.0650 0.0000 0.0160
298.20 0.5100 0.0420 0.0001 0.0160
298.20 0.4180 0.2490 0.0000 0.0110
298.20 0.4640 0.1850 0.0000 0.0130
298.20 0.1700 0.6510 0.0000 0.0050
313.20 0.0000 0.8200 0.0000 0.0000
313.20 0.5360 0.1220 0.0000 0.0130
313.20 0.5230 0.0190 0.0000 0.0150
313.20 0.5520 0.0380 0.0000 0.0150
313.20 0.5300 0.0640 0.0000 0.0140
313.20 0.4270 0.2720 0.0001 0.0100
313.20 0.5430 0.0130 0.0000 0.0130
313.20 0.0000 0.8100 0.0003 0.0000
313.20 0.5180 0.1130 0.0000 0.0130
313.20 0.5810 0.0210 0.0000 0.0160
313.20 0.5860 0.0400 0.0000 0.0150
313.20 0.6000 0.0680 0.0000 0.0140
313.20 0.4450 0.2800 0.0000 0.0090
313.20 0.4870 0.2260 0.0016 0.0130
313.20 0.3020 0.4380 0.0000 0.0080
343.20 0.1810 0.4770 0.0000 0.0070
343.20 0.1870 0.4650 0.0000 0.0050
343.20 0.4780 0.0540 0.0000 0.0130
343.20 0.4610 0.0490 0.0000 0.0130
343.20 0.4880 0.0880 0.0000 0.0110
343.20 0.4980 0.0960 0.0000 0.0120

Sources

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