Mixture of Benzonitrile + Acetic acid, butyl ester + Water

Excel

Benzonitrile

Name
Benzonitrile
InChI
InChI=1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H
InChI Key
JFDZBHWFFUWGJE-UHFFFAOYSA-N
Formula
C7H5N
SMILES
N#Cc1ccccc1
Mol. Weight (g/mol)
103.12
CAS
100-47-0

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. Mole fraction (4)

Mole fraction of Acetic acid, butyl ester (2) [ref]

Operational condition: Pressure, kPa = 101 (Liquid mixture 1)

Fixed Measured
Temperature, K - Liquid mixture 1 Mole fraction of Benzonitrile (1) - Liquid mixture 1 Mole fraction of Acetic acid, butyl ester (2) - Liquid mixture 1
298.15 0.1440 0.7959
298.15 0.2413 0.7008
298.15 0.3172 0.6261
298.15 0.3954 0.5491
298.15 0.4742 0.4724
298.15 0.5503 0.3986
298.15 0.6299 0.3213
298.15 0.7012 0.2522
298.15 0.7890 0.1666
298.15 0.8795 0.0782
303.15 0.1222 0.8110
303.15 0.2112 0.7231
303.15 0.2932 0.6421
303.15 0.3721 0.5643
303.15 0.4558 0.4817
303.15 0.5378 0.4008
303.15 0.6121 0.3275
303.15 0.6839 0.2568
303.15 0.7707 0.1711
303.15 0.8616 0.0813
308.15 0.0984 0.8294
308.15 0.1880 0.7403
308.15 0.2774 0.6514
308.15 0.3568 0.5725
308.15 0.4348 0.4951
308.15 0.5145 0.4159
308.15 0.5919 0.3391
308.15 0.6682 0.2633
308.15 0.7491 0.1829
308.15 0.8344 0.0981
313.15 0.0882 0.8325
313.15 0.1717 0.7479
313.15 0.2533 0.6655
313.15 0.3321 0.5857
313.15 0.4159 0.5008
313.15 0.4877 0.4282
313.15 0.5647 0.3503
313.15 0.6446 0.2693
313.15 0.7215 0.1917
313.15 0.8092 0.1033
318.15 0.0693 0.8430
318.15 0.1591 0.7502
318.15 0.2347 0.6717
318.15 0.3174 0.5861
318.15 0.3882 0.5123
318.15 0.4673 0.4303
318.15 0.5478 0.3469
318.15 0.6180 0.2738
318.15 0.6965 0.1925
318.15 0.7697 0.1162

Mole fraction of Acetic acid, butyl ester (2) [ref]

Operational condition: Pressure, kPa = 101 (Liquid mixture 2)

Fixed Measured
Temperature, K - Liquid mixture 2 Mole fraction of Benzonitrile (1) - Liquid mixture 2 Mole fraction of Acetic acid, butyl ester (2) - Liquid mixture 2
298.15 0.0001 0.0009
298.15 0.0002 0.0008
298.15 0.0003 0.0007
298.15 0.0004 0.0006
298.15 0.0005 0.0005
298.15 0.0006 0.0004
298.15 0.0007 0.0004
298.15 0.0008 0.0003
298.15 0.0009 0.0002
298.15 0.0010 0.0001
303.15 0.0002 0.0009
303.15 0.0003 0.0008
303.15 0.0004 0.0007
303.15 0.0005 0.0006
303.15 0.0007 0.0005
303.15 0.0008 0.0004
303.15 0.0009 0.0003
303.15 0.0010 0.0003
303.15 0.0012 0.0002
303.15 0.0013 0.0001
308.15 0.0002 0.0009
308.15 0.0004 0.0007
308.15 0.0005 0.0006
308.15 0.0007 0.0006
308.15 0.0008 0.0005
308.15 0.0010 0.0004
308.15 0.0011 0.0003
308.15 0.0013 0.0002
308.15 0.0015 0.0002
308.15 0.0017 0.0001
313.15 0.0003 0.0008
313.15 0.0005 0.0007
313.15 0.0007 0.0006
313.15 0.0009 0.0005
313.15 0.0010 0.0005
313.15 0.0012 0.0004
313.15 0.0014 0.0003
313.15 0.0017 0.0002
313.15 0.0019 0.0002
313.15 0.0021 0.0001
318.15 0.0004 0.0008
318.15 0.0006 0.0007
318.15 0.0008 0.0006
318.15 0.0010 0.0005
318.15 0.0012 0.0004
318.15 0.0015 0.0004
318.15 0.0017 0.0003
318.15 0.0020 0.0002
318.15 0.0023 0.0001
318.15 0.0025 0.0001

Mole fraction of Acetic acid, butyl ester (2) [ref]

Operational condition: Pressure, kPa = 101 (Liquid mixture 1)

Fixed Measured
Temperature, K - Liquid mixture 1 Mole fraction of Benzonitrile (1) - Liquid mixture 1 Mole fraction of Acetic acid, butyl ester (2) - Liquid mixture 1
298.15 0.1440 0.7959
298.15 0.2413 0.7008
298.15 0.3172 0.6261
298.15 0.3954 0.5491
298.15 0.4742 0.4724
298.15 0.5503 0.3986
298.15 0.6299 0.3213
298.15 0.7012 0.2522
298.15 0.7890 0.1666
298.15 0.8795 0.0782
303.15 0.1222 0.8110
303.15 0.2112 0.7231
303.15 0.2932 0.6421
303.15 0.3721 0.5643
303.15 0.4558 0.4817
303.15 0.5378 0.4008
303.15 0.6121 0.3275
303.15 0.6839 0.2568
303.15 0.7707 0.1711
303.15 0.8616 0.0813
308.15 0.0984 0.8294
308.15 0.1880 0.7403
308.15 0.2774 0.6514
308.15 0.3568 0.5725
308.15 0.4348 0.4951
308.15 0.5145 0.4159
308.15 0.5919 0.3391
308.15 0.6682 0.2633
308.15 0.7491 0.1829
308.15 0.8344 0.0981
313.15 0.0882 0.8325
313.15 0.1717 0.7479
313.15 0.2533 0.6655
313.15 0.3321 0.5857
313.15 0.4159 0.5008
313.15 0.4877 0.4282
313.15 0.5647 0.3503
313.15 0.6446 0.2693
313.15 0.7215 0.1917
313.15 0.8092 0.1033
318.15 0.0693 0.8430
318.15 0.1591 0.7502
318.15 0.2347 0.6717
318.15 0.3174 0.5861
318.15 0.3882 0.5123
318.15 0.4673 0.4303
318.15 0.5478 0.3469
318.15 0.6180 0.2738
318.15 0.6965 0.1925
318.15 0.7697 0.1162

Mole fraction of Acetic acid, butyl ester (2) [ref]

Operational condition: Pressure, kPa = 101 (Liquid mixture 2)

Fixed Measured
Temperature, K - Liquid mixture 2 Mole fraction of Benzonitrile (1) - Liquid mixture 2 Mole fraction of Acetic acid, butyl ester (2) - Liquid mixture 2
298.15 0.0001 0.0009
298.15 0.0002 0.0008
298.15 0.0003 0.0007
298.15 0.0004 0.0006
298.15 0.0005 0.0005
298.15 0.0006 0.0004
298.15 0.0007 0.0004
298.15 0.0008 0.0003
298.15 0.0009 0.0002
298.15 0.0010 0.0001
303.15 0.0002 0.0009
303.15 0.0003 0.0008
303.15 0.0004 0.0007
303.15 0.0005 0.0006
303.15 0.0007 0.0005
303.15 0.0008 0.0004
303.15 0.0009 0.0003
303.15 0.0010 0.0003
303.15 0.0012 0.0002
303.15 0.0013 0.0001
308.15 0.0002 0.0009
308.15 0.0004 0.0007
308.15 0.0005 0.0006
308.15 0.0007 0.0006
308.15 0.0008 0.0005
308.15 0.0010 0.0004
308.15 0.0011 0.0003
308.15 0.0013 0.0002
308.15 0.0015 0.0002
308.15 0.0017 0.0001
313.15 0.0003 0.0008
313.15 0.0005 0.0007
313.15 0.0007 0.0006
313.15 0.0009 0.0005
313.15 0.0010 0.0005
313.15 0.0012 0.0004
313.15 0.0014 0.0003
313.15 0.0017 0.0002
313.15 0.0019 0.0002
313.15 0.0021 0.0001
318.15 0.0004 0.0008
318.15 0.0006 0.0007
318.15 0.0008 0.0006
318.15 0.0010 0.0005
318.15 0.0012 0.0004
318.15 0.0015 0.0004
318.15 0.0017 0.0003
318.15 0.0020 0.0002
318.15 0.0023 0.0001
318.15 0.0025 0.0001

Sources