Mixture of n-Hexane + 1-Butanol + Water

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n-Hexane

Name
n-Hexane
InChI
InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3
InChI Key
VLKZOEOYAKHREP-UHFFFAOYSA-N
Formula
C6H14
SMILES
CCCCCC
Mol. Weight (g/mol)
86.18
CAS
110-54-3

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
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Datasets

  1. Mole fraction (6)
  2. Vapor Liquid Equilibrium at Constant Pressure

Mole fraction [ref]

Operational conditions:

Fixed Measured
Mole fraction of Water (3) - Liquid mixture 1 Mole fraction of 1-Butanol (2) - Liquid mixture 1 Mole fraction of 1-Butanol (2) - Liquid mixture 2 Mole fraction of Water (3) - Liquid mixture 2
0.5260 0.4700 0.0180 0.9820
0.4640 0.5110 0.0160 0.9840
0.3770 0.5480 0.0140 0.9860
0.3070 0.5440 0.0130 0.9870
0.2720 0.5310 0.0130 0.9870
0.2110 0.5080 0.0120 0.9880
0.1540 0.4510 0.0120 0.9880
0.1500 0.4300 0.0110 0.9890
0.0690 0.3010 0.0110 0.9890
0.0290 0.1910 0.0090 0.9910
0.0080 0.0520 0.0070 0.9930
0.0020 0.0000 0.0000 1.0000

Temperature, K x Mole fraction [ref]

Operational condition: Pressure, kPa = 101.3 (Liquid mixture 2)

Fixed Measured
Temperature, K - Liquid mixture 2 Mole fraction of 1-Butanol (2) - Liquid mixture 1 Mole fraction of 1-Butanol (2) - Liquid mixture 2 Mole fraction of 1-Butanol (2) - Gas Mole fraction of Water (3) - Liquid mixture 1 Mole fraction of Water (3) - Liquid mixture 2 Mole fraction of Water (3) - Gas
334.44 0.0000 0.0000 0.0000 0.0020 1.0000 0.2140
334.40 0.1310 0.0100 0.0300 0.0120 0.9900 0.1960
334.43 0.1600 0.0110 0.0310 0.0170 0.9890 0.1970
334.47 0.3010 0.0110 0.0320 0.0430 0.9890 0.1970
334.48 0.3440 0.0120 0.0330 0.0620 0.9880 0.1960
334.72 0.4110 0.0120 0.0360 0.1170 0.9880 0.2000
335.21 0.5290 0.0130 0.0430 0.2860 0.9870 0.2010
335.72 0.5420 0.0140 0.0450 0.3120 0.9860 0.2050
336.30 0.5470 0.0150 0.0460 0.3260 0.9850 0.2100
336.38 0.5440 0.0160 0.0470 0.3390 0.9850 0.2120
341.36 0.5370 0.0160 0.0680 0.4000 0.9840 0.2620
348.69 0.4970 0.0180 0.1020 0.4780 0.9820 0.3570
365.73 0.3620 0.0210 0.2380 0.6380 0.9790 0.7620

Temperature, K x Mole fraction [ref]

Operational condition: Pressure, kPa = 101.3 (Liquid)

Fixed Measured
Temperature, K - Liquid Mole fraction of Water (3) - Liquid Mole fraction of 1-Butanol (2) - Liquid Mole fraction of 1-Butanol (2) - Gas Mole fraction of Water (3) - Gas
335.16 0.1690 0.4710 0.0350 0.2040
335.68 0.1390 0.5310 0.0410 0.1990
337.06 0.1360 0.5620 0.0420 0.1960
342.85 0.1100 0.6790 0.0610 0.1890
342.78 0.2350 0.6150 0.0680 0.2430
345.90 0.2140 0.6770 0.0790 0.2550
353.40 0.1760 0.7390 0.1260 0.3210
358.44 0.2110 0.7370 0.1650 0.4360
358.58 0.1960 0.7470 0.1650 0.4220
364.09 0.1620 0.8130 0.2230 0.5030
353.27 0.3650 0.6040 0.1340 0.4200
342.51 0.1720 0.6230 0.0650 0.2200
342.59 0.1250 0.6340 0.0690 0.1890
338.33 0.0670 0.4870 0.0460 0.1600
343.65 0.0760 0.6660 0.0590 0.1480
340.45 0.0540 0.5650 0.0530 0.1270
342.79 0.0530 0.6230 0.0560 0.1330
348.90 0.0380 0.7230 0.0840 0.1060
352.25 0.0380 0.7840 0.1230 0.1010
355.08 0.0380 0.8090 0.1590 0.0990
358.83 0.0400 0.8360 0.1970 0.1110
363.46 0.0320 0.8760 0.2570 0.1000
367.29 0.0300 0.8900 0.2790 0.1080
371.50 0.0310 0.9120 0.3820 0.1170
374.26 0.0390 0.9160 0.3950 0.1630
382.48 0.0490 0.9440 0.5650 0.2830
371.94 0.1720 0.8230 0.3510 0.5760
374.22 0.1490 0.8480 0.3850 0.5630
378.51 0.1010 0.8970 0.4440 0.5180
359.87 0.0950 0.8270 0.2050 0.2450
355.07 0.0870 0.8050 0.1540 0.1990
353.94 0.0860 0.7880 0.1450 0.1860
344.55 0.1010 0.6300 0.0810 0.1620
348.57 0.0920 0.7330 0.1060 0.1700
347.90 0.1360 0.7080 0.1000 0.2180
349.27 0.1950 0.7070 0.1070 0.2870
351.21 0.2430 0.6830 0.1100 0.3370
348.35 0.3440 0.5940 0.1010 0.3310
347.88 0.3320 0.5910 0.1020 0.3280
345.11 0.3030 0.6060 0.0840 0.2870
350.58 0.3030 0.6390 0.1180 0.3580
354.67 0.2900 0.6610 0.1400 0.4230

Mole fraction [ref]

Operational conditions:

Fixed Measured
Mole fraction of Water (3) - Liquid mixture 1 Mole fraction of 1-Butanol (2) - Liquid mixture 1 Mole fraction of 1-Butanol (2) - Liquid mixture 2 Mole fraction of Water (3) - Liquid mixture 2
0.5260 0.4700 0.0180 0.9820
0.4640 0.5110 0.0160 0.9840
0.3770 0.5480 0.0140 0.9860
0.3070 0.5440 0.0130 0.9870
0.2720 0.5310 0.0130 0.9870
0.2110 0.5080 0.0120 0.9880
0.1540 0.4510 0.0120 0.9880
0.1500 0.4300 0.0110 0.9890
0.0690 0.3010 0.0110 0.9890
0.0290 0.1910 0.0090 0.9910
0.0080 0.0520 0.0070 0.9930
0.0020 0.0000 0.0000 1.0000

Temperature, K x Mole fraction [ref]

Operational condition: Pressure, kPa = 101.3 (Liquid mixture 2)

Fixed Measured
Temperature, K - Liquid mixture 2 Mole fraction of 1-Butanol (2) - Liquid mixture 1 Mole fraction of 1-Butanol (2) - Liquid mixture 2 Mole fraction of 1-Butanol (2) - Gas Mole fraction of Water (3) - Liquid mixture 1 Mole fraction of Water (3) - Liquid mixture 2 Mole fraction of Water (3) - Gas
334.44 0.0000 0.0000 0.0000 0.0020 1.0000 0.2140
334.40 0.1310 0.0100 0.0300 0.0120 0.9900 0.1960
334.43 0.1600 0.0110 0.0310 0.0170 0.9890 0.1970
334.47 0.3010 0.0110 0.0320 0.0430 0.9890 0.1970
334.48 0.3440 0.0120 0.0330 0.0620 0.9880 0.1960
334.72 0.4110 0.0120 0.0360 0.1170 0.9880 0.2000
335.21 0.5290 0.0130 0.0430 0.2860 0.9870 0.2010
335.72 0.5420 0.0140 0.0450 0.3120 0.9860 0.2050
336.30 0.5470 0.0150 0.0460 0.3260 0.9850 0.2100
336.38 0.5440 0.0160 0.0470 0.3390 0.9850 0.2120
341.36 0.5370 0.0160 0.0680 0.4000 0.9840 0.2620
348.69 0.4970 0.0180 0.1020 0.4780 0.9820 0.3570
365.73 0.3620 0.0210 0.2380 0.6380 0.9790 0.7620

Temperature, K x Mole fraction [ref]

Operational condition: Pressure, kPa = 101.3 (Liquid)

Fixed Measured
Temperature, K - Liquid Mole fraction of Water (3) - Liquid Mole fraction of 1-Butanol (2) - Liquid Mole fraction of 1-Butanol (2) - Gas Mole fraction of Water (3) - Gas
335.16 0.1690 0.4710 0.0350 0.2040
335.68 0.1390 0.5310 0.0410 0.1990
337.06 0.1360 0.5620 0.0420 0.1960
342.85 0.1100 0.6790 0.0610 0.1890
342.78 0.2350 0.6150 0.0680 0.2430
345.90 0.2140 0.6770 0.0790 0.2550
353.40 0.1760 0.7390 0.1260 0.3210
358.44 0.2110 0.7370 0.1650 0.4360
358.58 0.1960 0.7470 0.1650 0.4220
364.09 0.1620 0.8130 0.2230 0.5030
353.27 0.3650 0.6040 0.1340 0.4200
342.51 0.1720 0.6230 0.0650 0.2200
342.59 0.1250 0.6340 0.0690 0.1890
338.33 0.0670 0.4870 0.0460 0.1600
343.65 0.0760 0.6660 0.0590 0.1480
340.45 0.0540 0.5650 0.0530 0.1270
342.79 0.0530 0.6230 0.0560 0.1330
348.90 0.0380 0.7230 0.0840 0.1060
352.25 0.0380 0.7840 0.1230 0.1010
355.08 0.0380 0.8090 0.1590 0.0990
358.83 0.0400 0.8360 0.1970 0.1110
363.46 0.0320 0.8760 0.2570 0.1000
367.29 0.0300 0.8900 0.2790 0.1080
371.50 0.0310 0.9120 0.3820 0.1170
374.26 0.0390 0.9160 0.3950 0.1630
382.48 0.0490 0.9440 0.5650 0.2830
371.94 0.1720 0.8230 0.3510 0.5760
374.22 0.1490 0.8480 0.3850 0.5630
378.51 0.1010 0.8970 0.4440 0.5180
359.87 0.0950 0.8270 0.2050 0.2450
355.07 0.0870 0.8050 0.1540 0.1990
353.94 0.0860 0.7880 0.1450 0.1860
344.55 0.1010 0.6300 0.0810 0.1620
348.57 0.0920 0.7330 0.1060 0.1700
347.90 0.1360 0.7080 0.1000 0.2180
349.27 0.1950 0.7070 0.1070 0.2870
351.21 0.2430 0.6830 0.1100 0.3370
348.35 0.3440 0.5940 0.1010 0.3310
347.88 0.3320 0.5910 0.1020 0.3280
345.11 0.3030 0.6060 0.0840 0.2870
350.58 0.3030 0.6390 0.1180 0.3580
354.67 0.2900 0.6610 0.1400 0.4230

Vapor Liquid Equilibrium at Constant Pressure [ref]

Operational condition: Pressure, kPa = 101.3 (VLE)

Fixed Measured
T [K] - VLE x1[mol/mol] of Water (3) - Liquid x2[mol/mol] of 1-Butanol (2) - Liquid y1[mol/mol] of Water (3) - Vapour y2[mol/mol] of 1-Butanol (2) - Vapour
335.16 0.1690 0.4710 0.2040 0.0350
335.68 0.1390 0.5310 0.1990 0.0410
337.06 0.1360 0.5620 0.1960 0.0420
342.85 0.1100 0.6790 0.1890 0.0610
342.78 0.2350 0.6150 0.2430 0.0680
345.9 0.2140 0.6770 0.2550 0.0790
353.4 0.1760 0.7390 0.3210 0.1260
358.44 0.2110 0.7370 0.4360 0.1650
358.58 0.1960 0.7470 0.4220 0.1650
364.09 0.1620 0.8130 0.5030 0.2230
353.27 0.3650 0.6040 0.4200 0.1340
342.51 0.1720 0.6230 0.2200 0.0650
342.59 0.1250 0.6340 0.1890 0.0690
338.33 0.0670 0.4870 0.1600 0.0460
343.65 0.0760 0.6660 0.1480 0.0590
340.45 0.0540 0.5650 0.1270 0.0530
342.79 0.0530 0.6230 0.1330 0.0560
348.9 0.0380 0.7230 0.1060 0.0840
352.25 0.0380 0.7840 0.1010 0.1230
355.08 0.0380 0.8090 0.0990 0.1590
358.83 0.0400 0.8360 0.1110 0.1970
363.46 0.0320 0.8760 0.1000 0.2570
367.29 0.0300 0.8900 0.1080 0.2790
371.5 0.0310 0.9120 0.1170 0.3820
374.26 0.0390 0.9160 0.1630 0.3950
382.48 0.0490 0.9440 0.2830 0.5650
371.94 0.1720 0.8230 0.5760 0.3510
374.22 0.1490 0.8480 0.5630 0.3850
378.51 0.1010 0.8970 0.5180 0.4440
359.87 0.0950 0.8270 0.2450 0.2050
355.07 0.0870 0.8050 0.1990 0.1540
353.94 0.0860 0.7880 0.1860 0.1450
344.55 0.1010 0.6300 0.1620 0.0810
348.57 0.0920 0.7330 0.1700 0.1060
347.9 0.1360 0.7080 0.2180 0.1000
349.27 0.1950 0.7070 0.2870 0.1070
351.21 0.2430 0.6830 0.3370 0.1100
348.35 0.3440 0.5940 0.3310 0.1010
347.88 0.3320 0.5910 0.3280 0.1020
345.11 0.3030 0.6060 0.2870 0.0840
350.58 0.3030 0.6390 0.3580 0.1180
354.67 0.2900 0.6610 0.4230 0.1400

Sources