Mixture of Butanoic acid + Acetic acid, butyl ester + Water

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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

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. Mass fraction (4)

Mass fraction of Butanoic acid (1) [ref]

Operational condition: Pressure, kPa = 101.325 (Liquid mixture 1)

Fixed Measured
Temperature, K - Liquid mixture 1 Mass fraction of Water (3) - Liquid mixture 1 Mass fraction of Butanoic acid (1) - Liquid mixture 1
298.20 0.9949 0.0000
298.20 0.8852 0.1082
298.20 0.7899 0.2014
298.20 0.6924 0.2955
298.20 0.5921 0.3877
298.20 0.4931 0.4724
298.20 0.3808 0.5627
298.20 0.2696 0.6114
298.20 0.1597 0.5945
298.20 0.1065 0.5490
298.20 0.0672 0.4938
298.20 0.0544 0.3982
298.20 0.0399 0.3101
298.20 0.0281 0.2139
298.20 0.0149 0.1085
298.20 0.0087 0.0000
308.20 0.9954 0.0000
308.20 0.8926 0.0994
308.20 0.7972 0.1947
308.20 0.6930 0.2905
308.20 0.5880 0.3839
308.20 0.4822 0.4777
308.20 0.3741 0.5575
308.20 0.2656 0.5986
308.20 0.1743 0.5992
308.20 0.1139 0.5547
308.20 0.0746 0.4821
308.20 0.0576 0.3989
308.20 0.0422 0.3173
308.20 0.0251 0.2213
308.20 0.0170 0.1128
308.20 0.0101 0.0000
318.20 0.9963 0.0000
318.20 0.8953 0.0998
318.20 0.7910 0.1977
318.20 0.6851 0.2934
318.20 0.5841 0.3814
318.20 0.4767 0.4691
318.20 0.3785 0.5372
318.20 0.2488 0.5783
318.20 0.1992 0.5699
318.20 0.1367 0.5178
318.20 0.0894 0.4723
318.20 0.0665 0.3804
318.20 0.0539 0.2981
318.20 0.0317 0.2088
318.20 0.0188 0.1101
318.20 0.0097 0.0000

Temperature, K x Mass fraction [ref]

Operational condition: Pressure, kPa = 101.325 (Liquid mixture 2)

Fixed Measured
Temperature, K - Liquid mixture 2 Mass fraction of Butanoic acid (1) - Liquid mixture 1 Mass fraction of Water (3) - Liquid mixture 1 Mass fraction of Water (3) - Liquid mixture 2 Mass fraction of Butanoic acid (1) - Liquid mixture 2
298.20 0.0168 0.9815 0.0134 0.0939
308.20 0.0648 0.9267 0.0694 0.4386
318.20 0.0173 0.9794 0.0169 0.0925
318.20 0.0286 0.9675 0.0368 0.1884
318.20 0.0401 0.9552 0.0572 0.2756
318.20 0.0528 0.9417 0.0683 0.3651
318.20 0.0662 0.9262 0.0858 0.4448
298.20 0.0282 0.9685 0.0236 0.1807
298.20 0.0403 0.9559 0.0362 0.2707
298.20 0.0515 0.9405 0.0552 0.3559
298.20 0.0643 0.9260 0.0734 0.4375
308.20 0.0169 0.9814 0.0163 0.0945
308.20 0.0281 0.9691 0.0249 0.1872
308.20 0.0395 0.9562 0.0353 0.2742
308.20 0.0517 0.9408 0.0507 0.3570

Mass fraction of Butanoic acid (1) [ref]

Operational condition: Pressure, kPa = 101.325 (Liquid mixture 1)

Fixed Measured
Temperature, K - Liquid mixture 1 Mass fraction of Water (3) - Liquid mixture 1 Mass fraction of Butanoic acid (1) - Liquid mixture 1
298.20 0.9949 0.0000
298.20 0.8852 0.1082
298.20 0.7899 0.2014
298.20 0.6924 0.2955
298.20 0.5921 0.3877
298.20 0.4931 0.4724
298.20 0.3808 0.5627
298.20 0.2696 0.6114
298.20 0.1597 0.5945
298.20 0.1065 0.5490
298.20 0.0672 0.4938
298.20 0.0544 0.3982
298.20 0.0399 0.3101
298.20 0.0281 0.2139
298.20 0.0149 0.1085
298.20 0.0087 0.0000
308.20 0.9954 0.0000
308.20 0.8926 0.0994
308.20 0.7972 0.1947
308.20 0.6930 0.2905
308.20 0.5880 0.3839
308.20 0.4822 0.4777
308.20 0.3741 0.5575
308.20 0.2656 0.5986
308.20 0.1743 0.5992
308.20 0.1139 0.5547
308.20 0.0746 0.4821
308.20 0.0576 0.3989
308.20 0.0422 0.3173
308.20 0.0251 0.2213
308.20 0.0170 0.1128
308.20 0.0101 0.0000
318.20 0.9963 0.0000
318.20 0.8953 0.0998
318.20 0.7910 0.1977
318.20 0.6851 0.2934
318.20 0.5841 0.3814
318.20 0.4767 0.4691
318.20 0.3785 0.5372
318.20 0.2488 0.5783
318.20 0.1992 0.5699
318.20 0.1367 0.5178
318.20 0.0894 0.4723
318.20 0.0665 0.3804
318.20 0.0539 0.2981
318.20 0.0317 0.2088
318.20 0.0188 0.1101
318.20 0.0097 0.0000

Temperature, K x Mass fraction [ref]

Operational condition: Pressure, kPa = 101.325 (Liquid mixture 2)

Fixed Measured
Temperature, K - Liquid mixture 2 Mass fraction of Butanoic acid (1) - Liquid mixture 1 Mass fraction of Water (3) - Liquid mixture 1 Mass fraction of Water (3) - Liquid mixture 2 Mass fraction of Butanoic acid (1) - Liquid mixture 2
298.20 0.0168 0.9815 0.0134 0.0939
308.20 0.0648 0.9267 0.0694 0.4386
318.20 0.0173 0.9794 0.0169 0.0925
318.20 0.0286 0.9675 0.0368 0.1884
318.20 0.0401 0.9552 0.0572 0.2756
318.20 0.0528 0.9417 0.0683 0.3651
318.20 0.0662 0.9262 0.0858 0.4448
298.20 0.0282 0.9685 0.0236 0.1807
298.20 0.0403 0.9559 0.0362 0.2707
298.20 0.0515 0.9405 0.0552 0.3559
298.20 0.0643 0.9260 0.0734 0.4375
308.20 0.0169 0.9814 0.0163 0.0945
308.20 0.0281 0.9691 0.0249 0.1872
308.20 0.0395 0.9562 0.0353 0.2742
308.20 0.0517 0.9408 0.0507 0.3570

Sources