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

Acetic acid

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

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. Vapor Liquid Equilibrium at Constant Pressure (3)

Vapor Liquid Equilibrium at Constant Pressure [ref]

Operational condition: Pressure, kPa = 30 (VLE)

Fixed Measured
T [K] - VLE x1[mol/mol] of Water (4) - Liquid x2[mol/mol] of Acetic acid, butyl ester (2) - Liquid x3[mol/mol] of 1-Butanol (1) - Liquid y1[mol/mol] of Water (4) - Vapour y2[mol/mol] of Acetic acid, butyl ester (2) - Vapour y3[mol/mol] of 1-Butanol (1) - Vapour
355.97 0.0055 0.0003 0.0427 0.0124 0.0002 0.0229
358.94 0.0031 0.0013 0.1898 0.0076 0.0014 0.1196
361.71 0.0037 0.0013 0.3616 0.0096 0.0017 0.2846
363.49 0.0018 0.0010 0.6352 0.0065 0.0017 0.6376
363.24 0.0013 0.0003 0.7230 0.0047 0.0006 0.7585
362.76 0.0012 0.0002 0.7930 0.0045 0.0004 0.8431
361.24 0.0000 0.0002 0.9257 0.0031 0.0004 0.9601

Vapor Liquid Equilibrium at Constant Pressure [ref]

Operational condition: Pressure, kPa = 50 (VLE)

Fixed Measured
T [K] - VLE x1[mol/mol] of Water (4) - Liquid x2[mol/mol] of Acetic acid, butyl ester (2) - Liquid x3[mol/mol] of 1-Butanol (1) - Liquid y1[mol/mol] of Water (4) - Vapour y2[mol/mol] of Acetic acid, butyl ester (2) - Vapour y3[mol/mol] of 1-Butanol (1) - Vapour
370.22 0.0049 0.0006 0.0463 0.0088 0.0005 0.0301
373.0 0.0038 0.0029 0.1961 0.0080 0.0030 0.1430
374.89 0.0042 0.0027 0.3600 0.0135 0.0034 0.2951
376.11 0.0032 0.0024 0.4972 0.0077 0.0031 0.4725
376.17 0.0027 0.0018 0.6310 0.0082 0.0026 0.6459
375.93 0.0019 0.0010 0.7186 0.0041 0.0014 0.7491
375.24 0.0012 0.0004 0.7855 0.0043 0.0007 0.8418
374.3 0.0019 0.0005 0.8669 0.0055 0.0008 0.9126
373.79 0.0000 0.0003 0.9203 0.0020 0.0004 0.9519

Vapor Liquid Equilibrium at Constant Pressure [ref]

Operational condition: Pressure, kPa = 70 (VLE)

Fixed Measured
T [K] - VLE x1[mol/mol] of Water (4) - Liquid x2[mol/mol] of Acetic acid, butyl ester (2) - Liquid x3[mol/mol] of 1-Butanol (1) - Liquid y1[mol/mol] of Water (4) - Vapour y2[mol/mol] of Acetic acid, butyl ester (2) - Vapour y3[mol/mol] of 1-Butanol (1) - Vapour
379.98 0.0050 0.0012 0.0446 0.0111 0.0011 0.0284
382.56 0.0047 0.0054 0.1993 0.0118 0.0056 0.1477
384.09 0.0056 0.0049 0.3557 0.0192 0.0058 0.3010
385.25 0.0028 0.0027 0.6233 0.0070 0.0035 0.6424
384.09 0.0014 0.0008 0.7822 0.0046 0.0011 0.8405
382.79 0.0016 0.0003 0.8705 0.0073 0.0004 0.9210
382.45 0.0000 0.0004 0.9165 0.0020 0.0005 0.9488

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