Mixture of 1-Butanol + Acetic acid, butyl ester + Water

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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

Acetic acid, butyl ester

Name
Acetic acid, butyl ester
InChI
InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3
InChI Key
DKPFZGUDAPQIHT-UHFFFAOYSA-N
Formula
C6H12O2
SMILES
CCCCOC(C)=O
Mol. Weight (g/mol)
116.16
CAS
123-86-4

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
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Datasets

  1. Mole fraction (10)
  2. Vapor Liquid Equilibrium at Constant Pressure (2)

Mole fraction [ref]

Operational conditions:

Fixed Measured
Mole fraction of 1-Butanol (1) - Liquid mixture 1 Mole fraction of Acetic acid, butyl ester (2) - Liquid mixture 1 Mole fraction of 1-Butanol (1) - Liquid mixture 2 Mole fraction of Acetic acid, butyl ester (2) - Liquid mixture 2
0.0010 0.0010 0.0420 0.8710
0.0100 0.0010 0.3570 0.3080
0.0120 0.0010 0.3970 0.2230
0.0140 0.0010 0.4250 0.1550
0.0160 0.0000 0.4570 0.0670
0.0020 0.0010 0.0830 0.8060
0.0020 0.0010 0.1180 0.7500
0.0040 0.0010 0.1760 0.6530
0.0060 0.0010 0.2190 0.5800
0.0070 0.0010 0.2460 0.5290
0.0080 0.0010 0.2780 0.4730
0.0090 0.0010 0.3150 0.4000
0.0090 0.0010 0.3440 0.3400

Mole fraction of 1-Butanol (1) [ref]

Operational conditions:

Mole fraction of Acetic acid, butyl ester (2) - Liquid mixture 1 Mole fraction of 1-Butanol (1) - Liquid mixture 1
0.8950 0.0300
0.8490 0.0600
0.8060 0.0870
0.7470 0.1210
0.7060 0.1470
0.6730 0.1650
0.6270 0.1960
0.5430 0.2360
0.5000 0.2640
0.4510 0.2870
0.4060 0.3120
0.3090 0.3590
0.2570 0.3820
0.2190 0.4000
0.1620 0.4290

Mole fraction [ref]

Operational conditions:

Fixed Measured
Mole fraction of 1-Butanol (1) - Liquid mixture 2 Mole fraction of Acetic acid, butyl ester (2) - Liquid mixture 2 Mole fraction of 1-Butanol (1) - Liquid mixture 1 Mole fraction of Acetic acid, butyl ester (2) - Liquid mixture 1
0.0110 0.0100 0.2860 0.4510
0.0050 0.0190 0.1210 0.7390
0.0210 0.0030 0.4400 0.0950
0.0190 0.0070 0.3890 0.2350

Mole fraction of Acetic acid, butyl ester (2) [ref]

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

Fixed Measured
Temperature, K - Liquid mixture 2 Mole fraction of Water (3) - Liquid mixture 2 Mole fraction of Acetic acid, butyl ester (2) - Liquid mixture 2
353.15 0.1250 0.7920
353.15 0.1960 0.6020
353.15 0.2880 0.4090
353.15 0.3860 0.2330
353.15 0.5030 0.0800
373.15 0.1690 0.7620
373.15 0.2200 0.5870
373.15 0.3190 0.3870
373.15 0.4320 0.2090
373.15 0.5700 0.0640
393.15 0.2670 0.5780
393.15 0.3460 0.4010
393.15 0.5910 0.0950
393.15 0.4730 0.1910
393.15 0.2410 0.6260

Mole fraction of 1-Butanol (1) [ref]

Operational condition: Pressure, kPa = 101 (Liquid mixture 1)

Fixed Measured
Temperature, K - Liquid mixture 1 Mole fraction of Acetic acid, butyl ester (2) - Liquid mixture 1 Mole fraction of 1-Butanol (1) - Liquid mixture 1
353.15 0.0030 0.0030
353.15 0.0020 0.0060
353.15 0.0030 0.0090
353.15 0.0020 0.0130
353.15 0.0010 0.0170
373.15 0.0080 0.0030
373.15 0.0050 0.0070
373.15 0.0060 0.0120
373.15 0.0030 0.0150
373.15 0.0020 0.0210
393.15 0.0050 0.0050
393.15 0.0060 0.0120
393.15 0.0030 0.0260
393.15 0.0030 0.0180
393.15 0.0090 0.0060

Mole fraction [ref]

Operational conditions:

Fixed Measured
Mole fraction of 1-Butanol (1) - Liquid mixture 1 Mole fraction of Acetic acid, butyl ester (2) - Liquid mixture 1 Mole fraction of 1-Butanol (1) - Liquid mixture 2 Mole fraction of Acetic acid, butyl ester (2) - Liquid mixture 2
0.0010 0.0010 0.0420 0.8710
0.0100 0.0010 0.3570 0.3080
0.0120 0.0010 0.3970 0.2230
0.0140 0.0010 0.4250 0.1550
0.0160 0.0000 0.4570 0.0670
0.0020 0.0010 0.0830 0.8060
0.0020 0.0010 0.1180 0.7500
0.0040 0.0010 0.1760 0.6530
0.0060 0.0010 0.2190 0.5800
0.0070 0.0010 0.2460 0.5290
0.0080 0.0010 0.2780 0.4730
0.0090 0.0010 0.3150 0.4000
0.0090 0.0010 0.3440 0.3400

Mole fraction of 1-Butanol (1) [ref]

Operational conditions:

Mole fraction of Acetic acid, butyl ester (2) - Liquid mixture 1 Mole fraction of 1-Butanol (1) - Liquid mixture 1
0.8950 0.0300
0.8490 0.0600
0.8060 0.0870
0.7470 0.1210
0.7060 0.1470
0.6730 0.1650
0.6270 0.1960
0.5430 0.2360
0.5000 0.2640
0.4510 0.2870
0.4060 0.3120
0.3090 0.3590
0.2570 0.3820
0.2190 0.4000
0.1620 0.4290

Mole fraction [ref]

Operational conditions:

Fixed Measured
Mole fraction of 1-Butanol (1) - Liquid mixture 2 Mole fraction of Acetic acid, butyl ester (2) - Liquid mixture 2 Mole fraction of 1-Butanol (1) - Liquid mixture 1 Mole fraction of Acetic acid, butyl ester (2) - Liquid mixture 1
0.0110 0.0100 0.2860 0.4510
0.0050 0.0190 0.1210 0.7390
0.0210 0.0030 0.4400 0.0950
0.0190 0.0070 0.3890 0.2350

Mole fraction of Acetic acid, butyl ester (2) [ref]

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

Fixed Measured
Temperature, K - Liquid mixture 2 Mole fraction of Water (3) - Liquid mixture 2 Mole fraction of Acetic acid, butyl ester (2) - Liquid mixture 2
353.15 0.1250 0.7920
353.15 0.1960 0.6020
353.15 0.2880 0.4090
353.15 0.3860 0.2330
353.15 0.5030 0.0800
373.15 0.1690 0.7620
373.15 0.2200 0.5870
373.15 0.3190 0.3870
373.15 0.4320 0.2090
373.15 0.5700 0.0640
393.15 0.2670 0.5780
393.15 0.3460 0.4010
393.15 0.5910 0.0950
393.15 0.4730 0.1910
393.15 0.2410 0.6260

Mole fraction of 1-Butanol (1) [ref]

Operational condition: Pressure, kPa = 101 (Liquid mixture 1)

Fixed Measured
Temperature, K - Liquid mixture 1 Mole fraction of Acetic acid, butyl ester (2) - Liquid mixture 1 Mole fraction of 1-Butanol (1) - Liquid mixture 1
353.15 0.0030 0.0030
353.15 0.0020 0.0060
353.15 0.0030 0.0090
353.15 0.0020 0.0130
353.15 0.0010 0.0170
373.15 0.0080 0.0030
373.15 0.0050 0.0070
373.15 0.0060 0.0120
373.15 0.0030 0.0150
373.15 0.0020 0.0210
393.15 0.0050 0.0050
393.15 0.0060 0.0120
393.15 0.0030 0.0260
393.15 0.0030 0.0180
393.15 0.0090 0.0060

Vapor Liquid Equilibrium at Constant Pressure [ref]

Operational condition: Pressure, kPa = 101.33 (VLE)

Fixed Measured
T [K] - VLE x1[mol/mol] of 1-Butanol (1) - Liquid x2[mol/mol] of Water (3) - Liquid y1[mol/mol] of 1-Butanol (1) - Vapour y2[mol/mol] of Water (3) - Vapour
378.15 0.7200 0.1000 0.3980 0.4710
371.3 0.6400 0.2000 0.3070 0.5820
365.5 0.4800 0.4000 0.2000 0.7080
364.28 0.3200 0.6000 0.1860 0.7230
364.28 0.1590 0.8010 0.1830 0.7230
377.35 0.5390 0.1010 0.3130 0.4610
369.95 0.4800 0.2000 0.2320 0.5800
364.05 0.3600 0.4000 0.1450 0.7120
364.05 0.2400 0.6000 0.1430 0.7120
364.05 0.1200 0.8000 0.1420 0.7140
375.45 0.3600 0.1000 0.2240 0.5160
368.25 0.3220 0.2000 0.1630 0.6010
363.6 0.2400 0.4000 0.1030 0.7070
363.6 0.1620 0.6060 0.1030 0.7080
363.6 0.0800 0.8000 0.1030 0.7070
375.69 0.1800 0.1000 0.1460 0.5020
369.01 0.1600 0.2010 0.0860 0.6540
363.55 0.1190 0.3980 0.0620 0.7080
363.55 0.0800 0.6000 0.0640 0.7010
363.55 0.0400 0.8000 0.0640 0.7030
363.53 0.0726 0.7034 0.0726 0.7034

Vapor Liquid Equilibrium at Constant Pressure [ref]

Operational condition: Pressure, kPa = 101.3 (VLE)

Fixed Measured
T [K] - VLE x1[mol/mol] of 1-Butanol (1) - Liquid x2[mol/mol] of Water (3) - Liquid y1[mol/mol] of 1-Butanol (1) - Vapour y2[mol/mol] of Water (3) - Vapour
363.45 0.9940 0.0050 0.7090 0.0729
363.75 0.9930 0.0068 0.7120 0.1090
364.0 0.9890 0.0101 0.7110 0.1490
364.15 0.9890 0.0107 0.7230 0.1610
364.4 0.9880 0.0119 0.7270 0.1830
365.1 0.9860 0.0138 0.7410 0.2090
363.45 0.1990 0.1790 0.7090 0.0729
363.75 0.3090 0.3120 0.7120 0.1090
364.0 0.4010 0.3700 0.7110 0.1490
364.15 0.4500 0.3880 0.7230 0.1610
364.4 0.4790 0.4040 0.7270 0.1830
365.1 0.5560 0.3940 0.7410 0.2090

Sources