Mixture of 9,12-Octadecadienoic acid (Z,Z)-, methyl ester + Methyl Alcohol + Water

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9,12-Octadecadienoic acid (Z,Z)-, methyl ester

Name
9,12-Octadecadienoic acid (Z,Z)-, methyl ester
InChI
InChI=1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-8,10-11H,3-6,9,12-18H2,1-2H3/b8-7-,11-10-
InChI Key
WTTJVINHCBCLGX-NQLNTKRDSA-N
Formula
C19H34O2
SMILES
CCCCCC=CCC=CCCCCCCCC(=O)OC
Mol. Weight (g/mol)
294.47
CAS
112-63-0

Methyl Alcohol

Name
Methyl Alcohol
InChI
InChI=1S/CH4O/c1-2/h2H,1H3
InChI Key
OKKJLVBELUTLKV-UHFFFAOYSA-N
Formula
CH4O
SMILES
CO
Mol. Weight (g/mol)
32.04
CAS
67-56-1

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 Mole fraction (4)

Temperature, K x Mole fraction [ref]

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

Fixed Measured
Temperature, K - Liquid mixture 1 Mole fraction of Water (3) - Liquid mixture 2 Mole fraction of Methyl Alcohol (2) - Liquid mixture 2 Mole fraction of Water (3) - Liquid mixture 1 Mole fraction of Methyl Alcohol (2) - Liquid mixture 1
298.20 0.9995 0.0000 0.0030 0.0000
298.20 0.9406 0.0588 0.0038 0.0021
298.20 0.8845 0.1143 0.0040 0.0051
298.20 0.8475 0.1489 0.0088 0.0120
298.20 0.7535 0.2431 0.0098 0.0272
298.20 0.6957 0.3004 0.0117 0.0362
298.20 0.6522 0.3473 0.0121 0.0408
298.20 0.4760 0.5221 0.0279 0.1135
308.20 0.9995 0.0000 0.0082 0.0000
308.20 0.9427 0.0570 0.0090 0.0056
308.20 0.8849 0.1148 0.0091 0.0125
308.20 0.8566 0.1431 0.0101 0.0155
308.20 0.7479 0.2514 0.0115 0.0343
308.20 0.6987 0.3003 0.0129 0.0432
308.20 0.6508 0.3477 0.0158 0.0551
308.20 0.4760 0.5221 0.0176 0.1145
318.20 0.9994 0.0000 0.0201 0.0000
318.20 0.9451 0.0539 0.0205 0.0107
318.20 0.8874 0.1123 0.0215 0.0250
318.20 0.8509 0.1476 0.0226 0.0320
318.20 0.7957 0.2035 0.0255 0.0506
318.20 0.6526 0.3460 0.0340 0.1015
318.20 0.5355 0.4629 0.0434 0.1666

Mole fraction of 9,12-Octadecadienoic acid (Z,Z)-, methyl ester (1) [ref]

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

Fixed Measured
Temperature, K - Liquid mixture 1 Mole fraction of Methyl Alcohol (2) - Liquid mixture 1 Mole fraction of 9,12-Octadecadienoic acid (Z,Z)-, methyl ester (1) - Liquid mixture 1
298.20 0.6657 0.0011
298.20 0.7270 0.0016
298.20 0.7487 0.0018
298.20 0.7677 0.0023
298.20 0.7878 0.0035
298.20 0.8117 0.0037
298.20 0.8695 0.0079
298.20 0.9028 0.0148
298.20 0.9131 0.0199
298.20 0.9142 0.0230
298.20 0.9144 0.0167
308.20 0.0738 0.8998
308.20 0.6887 0.0011
308.20 0.7669 0.0029
308.20 0.8505 0.0087
308.20 0.8817 0.0820
308.20 0.8874 0.0172
308.20 0.8880 0.0595
308.20 0.8989 0.0416
318.20 0.4953 0.4427
318.20 0.6734 0.0011
318.20 0.7387 0.0025
318.20 0.8475 0.0090
318.20 0.8571 0.0826
318.20 0.8719 0.0196

Temperature, K x Mole fraction [ref]

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

Fixed Measured
Temperature, K - Liquid mixture 1 Mole fraction of Water (3) - Liquid mixture 2 Mole fraction of Methyl Alcohol (2) - Liquid mixture 2 Mole fraction of Water (3) - Liquid mixture 1 Mole fraction of Methyl Alcohol (2) - Liquid mixture 1
298.20 0.9995 0.0000 0.0030 0.0000
298.20 0.9406 0.0588 0.0038 0.0021
298.20 0.8845 0.1143 0.0040 0.0051
298.20 0.8475 0.1489 0.0088 0.0120
298.20 0.7535 0.2431 0.0098 0.0272
298.20 0.6957 0.3004 0.0117 0.0362
298.20 0.6522 0.3473 0.0121 0.0408
298.20 0.4760 0.5221 0.0279 0.1135
308.20 0.9995 0.0000 0.0082 0.0000
308.20 0.9427 0.0570 0.0090 0.0056
308.20 0.8849 0.1148 0.0091 0.0125
308.20 0.8566 0.1431 0.0101 0.0155
308.20 0.7479 0.2514 0.0115 0.0343
308.20 0.6987 0.3003 0.0129 0.0432
308.20 0.6508 0.3477 0.0158 0.0551
308.20 0.4760 0.5221 0.0176 0.1145
318.20 0.9994 0.0000 0.0201 0.0000
318.20 0.9451 0.0539 0.0205 0.0107
318.20 0.8874 0.1123 0.0215 0.0250
318.20 0.8509 0.1476 0.0226 0.0320
318.20 0.7957 0.2035 0.0255 0.0506
318.20 0.6526 0.3460 0.0340 0.1015
318.20 0.5355 0.4629 0.0434 0.1666

Mole fraction of 9,12-Octadecadienoic acid (Z,Z)-, methyl ester (1) [ref]

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

Fixed Measured
Temperature, K - Liquid mixture 1 Mole fraction of Methyl Alcohol (2) - Liquid mixture 1 Mole fraction of 9,12-Octadecadienoic acid (Z,Z)-, methyl ester (1) - Liquid mixture 1
298.20 0.6657 0.0011
298.20 0.7270 0.0016
298.20 0.7487 0.0018
298.20 0.7677 0.0023
298.20 0.7878 0.0035
298.20 0.8117 0.0037
298.20 0.8695 0.0079
298.20 0.9028 0.0148
298.20 0.9131 0.0199
298.20 0.9142 0.0230
298.20 0.9144 0.0167
308.20 0.0738 0.8998
308.20 0.6887 0.0011
308.20 0.7669 0.0029
308.20 0.8505 0.0087
308.20 0.8817 0.0820
308.20 0.8874 0.0172
308.20 0.8880 0.0595
308.20 0.8989 0.0416
318.20 0.4953 0.4427
318.20 0.6734 0.0011
318.20 0.7387 0.0025
318.20 0.8475 0.0090
318.20 0.8571 0.0826
318.20 0.8719 0.0196

Sources