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

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Acetic acid, phenyl ester

Name
Acetic acid, phenyl ester
InChI
InChI=1S/C8H8O2/c1-7(9)10-8-5-3-2-4-6-8/h2-6H,1H3
InChI Key
IPBVNPXQWQGGJP-UHFFFAOYSA-N
Formula
C8H8O2
SMILES
CC(=O)Oc1ccccc1
Mol. Weight (g/mol)
136.15
CAS
122-79-2

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. Mass fraction (4)

Mass fraction of Butanoic acid (2) [ref]

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

Fixed Measured
Temperature, K - Liquid mixture 1 Mass fraction of Water (3) - Liquid mixture 1 Mass fraction of Butanoic acid (2) - Liquid mixture 1
298.15 0.9969 0.0000
298.15 0.8870 0.1081
298.15 0.7802 0.2078
298.15 0.6883 0.2910
298.15 0.5860 0.3862
298.15 0.4771 0.4791
298.15 0.3650 0.5554
298.15 0.2561 0.5881
298.15 0.1220 0.5343
298.15 0.1043 0.5194
298.15 0.0704 0.4624
298.15 0.0352 0.3832
298.15 0.0266 0.2955
298.15 0.0145 0.1962
298.15 0.0088 0.1055
298.15 0.0055 0.0000
308.15 0.9964 0.0000
308.15 0.8921 0.1002
308.15 0.7904 0.1970
308.15 0.6878 0.2888
308.15 0.5770 0.3880
308.15 0.4806 0.4738
308.15 0.3639 0.5526
308.15 0.2510 0.5856
308.15 0.1189 0.5336
308.15 0.1015 0.5186
308.15 0.0662 0.4696
308.15 0.0332 0.3772
308.15 0.0274 0.2906
308.15 0.0124 0.2291
308.15 0.0084 0.1054
308.15 0.0044 0.0000
318.15 0.9964 0.0000
318.15 0.8894 0.1025
318.15 0.7920 0.1958
318.15 0.6529 0.3198
318.15 0.5727 0.3921
318.15 0.4471 0.4999
318.15 0.3847 0.5303
318.15 0.2483 0.5791
318.15 0.0993 0.5199
318.15 0.0659 0.4674
318.15 0.0311 0.3828
318.15 0.0274 0.2929
318.15 0.0121 0.1984
318.15 0.0080 0.1038
318.15 0.0039 0.0000

Temperature, K x Mass fraction [ref]

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

Fixed Measured
Temperature, K - Liquid mixture 2 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
298.15 0.0287 0.9675 0.0094 0.0874
308.15 0.0864 0.9042 0.0565 0.4407
318.15 0.0296 0.9665 0.0097 0.0876
318.15 0.0458 0.9483 0.0175 0.1777
318.15 0.0585 0.9343 0.0264 0.2683
318.15 0.0731 0.9184 0.0375 0.3554
318.15 0.0858 0.9045 0.0592 0.4418
298.15 0.0457 0.9482 0.0147 0.1746
298.15 0.0595 0.9331 0.0257 0.2694
298.15 0.0719 0.9192 0.0353 0.3540
298.15 0.0846 0.9049 0.0581 0.4402
308.15 0.0296 0.9658 0.0089 0.0874
308.15 0.0463 0.9475 0.0184 0.1784
308.15 0.0608 0.9317 0.0262 0.2678
308.15 0.0724 0.9190 0.0369 0.3535

Mass fraction of Butanoic acid (2) [ref]

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

Fixed Measured
Temperature, K - Liquid mixture 1 Mass fraction of Water (3) - Liquid mixture 1 Mass fraction of Butanoic acid (2) - Liquid mixture 1
298.15 0.9969 0.0000
298.15 0.8870 0.1081
298.15 0.7802 0.2078
298.15 0.6883 0.2910
298.15 0.5860 0.3862
298.15 0.4771 0.4791
298.15 0.3650 0.5554
298.15 0.2561 0.5881
298.15 0.1220 0.5343
298.15 0.1043 0.5194
298.15 0.0704 0.4624
298.15 0.0352 0.3832
298.15 0.0266 0.2955
298.15 0.0145 0.1962
298.15 0.0088 0.1055
298.15 0.0055 0.0000
308.15 0.9964 0.0000
308.15 0.8921 0.1002
308.15 0.7904 0.1970
308.15 0.6878 0.2888
308.15 0.5770 0.3880
308.15 0.4806 0.4738
308.15 0.3639 0.5526
308.15 0.2510 0.5856
308.15 0.1189 0.5336
308.15 0.1015 0.5186
308.15 0.0662 0.4696
308.15 0.0332 0.3772
308.15 0.0274 0.2906
308.15 0.0124 0.2291
308.15 0.0084 0.1054
308.15 0.0044 0.0000
318.15 0.9964 0.0000
318.15 0.8894 0.1025
318.15 0.7920 0.1958
318.15 0.6529 0.3198
318.15 0.5727 0.3921
318.15 0.4471 0.4999
318.15 0.3847 0.5303
318.15 0.2483 0.5791
318.15 0.0993 0.5199
318.15 0.0659 0.4674
318.15 0.0311 0.3828
318.15 0.0274 0.2929
318.15 0.0121 0.1984
318.15 0.0080 0.1038
318.15 0.0039 0.0000

Temperature, K x Mass fraction [ref]

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

Fixed Measured
Temperature, K - Liquid mixture 2 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
298.15 0.0287 0.9675 0.0094 0.0874
308.15 0.0864 0.9042 0.0565 0.4407
318.15 0.0296 0.9665 0.0097 0.0876
318.15 0.0458 0.9483 0.0175 0.1777
318.15 0.0585 0.9343 0.0264 0.2683
318.15 0.0731 0.9184 0.0375 0.3554
318.15 0.0858 0.9045 0.0592 0.4418
298.15 0.0457 0.9482 0.0147 0.1746
298.15 0.0595 0.9331 0.0257 0.2694
298.15 0.0719 0.9192 0.0353 0.3540
298.15 0.0846 0.9049 0.0581 0.4402
308.15 0.0296 0.9658 0.0089 0.0874
308.15 0.0463 0.9475 0.0184 0.1784
308.15 0.0608 0.9317 0.0262 0.2678
308.15 0.0724 0.9190 0.0369 0.3535

Sources