Mixture of 1-Butanol, 3-methyl- + Butanoic acid + Water

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1-Butanol, 3-methyl-

Name
1-Butanol, 3-methyl-
InChI
InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3
InChI Key
PHTQWCKDNZKARW-UHFFFAOYSA-N
Formula
C5H12O
SMILES
CC(C)CCO
Mol. Weight (g/mol)
88.15
CAS
123-51-3

Butanoic acid

Name
Butanoic acid
InChI
InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)
InChI Key
FERIUCNNQQJTOY-UHFFFAOYSA-N
Formula
C4H8O2
SMILES
CCCC(=O)O
Mol. Weight (g/mol)
88.11
CAS
107-92-6

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. Temperature, K x Mass fraction (6)

Temperature, K x Mass fraction [ref]

Operational condition: Pressure, kPa = 101.3 (Liquid mixture 1)

Fixed Measured
Temperature, K - Liquid mixture 1 Mass fraction of Butanoic acid (2) - Liquid mixture 2 Mass fraction of Water (3) - Liquid mixture 2 Mass fraction of Butanoic acid (2) - Liquid mixture 1 Mass fraction of Water (3) - Liquid mixture 1
298.15 0.1148 0.0852 0.0082 0.9677
298.15 0.2380 0.0849 0.0195 0.9563
298.15 0.3250 0.0938 0.0286 0.9470
298.15 0.4105 0.1100 0.0377 0.9379
298.15 0.4549 0.1253 0.0477 0.9277
298.15 0.5115 0.1420 0.0515 0.9238
298.15 0.5547 0.1601 0.0554 0.9197
308.15 0.3108 0.1227 0.0338 0.9469
308.15 0.3851 0.1269 0.0386 0.9420
308.15 0.4332 0.1483 0.0472 0.9334
308.15 0.4984 0.1611 0.0506 0.9298
308.15 0.5351 0.1809 0.0551 0.9252
308.15 0.1124 0.0966 0.0093 0.9716
308.15 0.2185 0.1055 0.0196 0.9613
318.15 0.3002 0.1359 0.0310 0.9497
318.15 0.3800 0.1559 0.0386 0.9420
318.15 0.4304 0.1693 0.0481 0.9324
318.15 0.2200 0.1250 0.0195 0.9612
318.15 0.1164 0.1135 0.0093 0.9715
318.15 0.4803 0.1946 0.0543 0.9262
318.15 0.5154 0.2236 0.0567 0.9237

Mass fraction of Butanoic acid (2) [ref]

Operational conditions:

Mass fraction of Water (3) - Liquid mixture 1 Mass fraction of Butanoic acid (2) - Liquid mixture 1
0.9251 0.0690
0.8828 0.1093
0.8268 0.1634
0.7812 0.2073
0.7231 0.2596
0.6900 0.2887
0.6218 0.3514
0.5745 0.3927
0.5242 0.4348
0.4743 0.4782
0.4200 0.5157
0.3666 0.5449
0.3036 0.5640
0.2486 0.5552
0.2912 0.5588
0.2532 0.5509
0.2527 0.5191
0.2153 0.5091
0.1902 0.4878
0.1663 0.4499
0.1575 0.4221
0.1457 0.3842
0.1375 0.3459
0.1325 0.3041
0.1275 0.2635
0.1209 0.2228
0.1169 0.1906
0.1147 0.1450
0.1079 0.1063
0.0983 0.0590

Mass fraction [ref]

Operational conditions:

Fixed Measured
Mass fraction of Butanoic acid (2) - Liquid mixture 1 Mass fraction of Water (3) - Liquid mixture 1 Mass fraction of Water (3) - Liquid mixture 2 Mass fraction of Butanoic acid (2) - Liquid mixture 2
0.0150 0.9810 0.1150 0.1650
0.0280 0.9680 0.1310 0.2820
0.0390 0.9560 0.1380 0.3470
0.0510 0.9440 0.1540 0.4080
0.0590 0.9350 0.1660 0.4380
0.0690 0.9250 0.1820 0.4750

Temperature, K x Mass fraction [ref]

Operational condition: Pressure, kPa = 101.3 (Liquid mixture 1)

Fixed Measured
Temperature, K - Liquid mixture 1 Mass fraction of Butanoic acid (2) - Liquid mixture 2 Mass fraction of Water (3) - Liquid mixture 2 Mass fraction of Butanoic acid (2) - Liquid mixture 1 Mass fraction of Water (3) - Liquid mixture 1
298.15 0.1148 0.0852 0.0082 0.9677
298.15 0.2380 0.0849 0.0195 0.9563
298.15 0.3250 0.0938 0.0286 0.9470
298.15 0.4105 0.1100 0.0377 0.9379
298.15 0.4549 0.1253 0.0477 0.9277
298.15 0.5115 0.1420 0.0515 0.9238
298.15 0.5547 0.1601 0.0554 0.9197
308.15 0.3108 0.1227 0.0338 0.9469
308.15 0.3851 0.1269 0.0386 0.9420
308.15 0.4332 0.1483 0.0472 0.9334
308.15 0.4984 0.1611 0.0506 0.9298
308.15 0.5351 0.1809 0.0551 0.9252
308.15 0.1124 0.0966 0.0093 0.9716
308.15 0.2185 0.1055 0.0196 0.9613
318.15 0.3002 0.1359 0.0310 0.9497
318.15 0.3800 0.1559 0.0386 0.9420
318.15 0.4304 0.1693 0.0481 0.9324
318.15 0.2200 0.1250 0.0195 0.9612
318.15 0.1164 0.1135 0.0093 0.9715
318.15 0.4803 0.1946 0.0543 0.9262
318.15 0.5154 0.2236 0.0567 0.9237

Mass fraction of Butanoic acid (2) [ref]

Operational conditions:

Mass fraction of Water (3) - Liquid mixture 1 Mass fraction of Butanoic acid (2) - Liquid mixture 1
0.9251 0.0690
0.8828 0.1093
0.8268 0.1634
0.7812 0.2073
0.7231 0.2596
0.6900 0.2887
0.6218 0.3514
0.5745 0.3927
0.5242 0.4348
0.4743 0.4782
0.4200 0.5157
0.3666 0.5449
0.3036 0.5640
0.2486 0.5552
0.2912 0.5588
0.2532 0.5509
0.2527 0.5191
0.2153 0.5091
0.1902 0.4878
0.1663 0.4499
0.1575 0.4221
0.1457 0.3842
0.1375 0.3459
0.1325 0.3041
0.1275 0.2635
0.1209 0.2228
0.1169 0.1906
0.1147 0.1450
0.1079 0.1063
0.0983 0.0590

Mass fraction [ref]

Operational conditions:

Fixed Measured
Mass fraction of Butanoic acid (2) - Liquid mixture 1 Mass fraction of Water (3) - Liquid mixture 1 Mass fraction of Water (3) - Liquid mixture 2 Mass fraction of Butanoic acid (2) - Liquid mixture 2
0.0150 0.9810 0.1150 0.1650
0.0280 0.9680 0.1310 0.2820
0.0390 0.9560 0.1380 0.3470
0.0510 0.9440 0.1540 0.4080
0.0590 0.9350 0.1660 0.4380
0.0690 0.9250 0.1820 0.4750

Sources