Mixture of Acetic acid, pentyl ester + Acetic acid + Water

Excel

Acetic acid, pentyl ester

Name
Acetic acid, pentyl ester
InChI
InChI=1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3
InChI Key
PGMYKACGEOXYJE-UHFFFAOYSA-N
Formula
C7H14O2
SMILES
CCCCCOC(C)=O
Mol. Weight (g/mol)
130.18
CAS
628-63-7

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
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Datasets

  1. Mole fraction (8)

Mole fraction of Acetic acid, pentyl ester (1) [ref]

Operational conditions:

Mole fraction of Acetic acid (2) - Liquid mixture 1 Mole fraction of Acetic acid, pentyl ester (1) - Liquid mixture 1
0.2850 0.0770
0.2850 0.0790
0.2860 0.0800
0.2890 0.0870
0.2930 0.0950
0.3010 0.1130
0.3040 0.1220
0.3120 0.1620
0.3090 0.1620
0.3110 0.1730
0.3120 0.1810
0.3130 0.1900
0.3140 0.2020
0.3140 0.2150
0.3140 0.2300
0.3120 0.2640
0.3020 0.3110
0.2650 0.4240
0.1990 0.5580
0.1980 0.5560
0.2690 0.0470
0.2850 0.0760
0.2920 0.0920
0.3060 0.1320

Mole fraction [ref]

Operational conditions:

Fixed Measured
Mole fraction of Acetic acid (2) - Liquid mixture 2 Mole fraction of Acetic acid, pentyl ester (1) - Liquid mixture 2 Mole fraction of Acetic acid (2) - Liquid mixture 1 Mole fraction of Acetic acid, pentyl ester (1) - Liquid mixture 1
0.0930 0.0070 0.2470 0.5200
0.1210 0.0020 0.2940 0.3960
0.1380 0.0040 0.3170 0.2940
0.0670 0.0020 0.1870 0.6330
0.0330 0.0020 0.0910 0.7830

Temperature, K x Mole fraction [ref]

Operational condition: Pressure, kPa = 101.33 (Liquid)

Fixed Measured
Temperature, K - Liquid Mole fraction of Water (3) - Liquid Mole fraction of Acetic acid (2) - Liquid Mole fraction of Acetic acid (2) - Gas Mole fraction of Water (3) - Gas
376.30 0.4416 0.5010 0.3210 0.6226
376.50 0.4547 0.4997 0.3184 0.6303
376.71 0.4283 0.4807 0.3230 0.6075
377.01 0.4750 0.5091 0.3558 0.6197
377.82 0.3548 0.5609 0.3750 0.5649
378.02 0.3437 0.5646 0.3677 0.5686
381.72 0.2377 0.6329 0.4912 0.4307
385.03 0.2105 0.5522 0.4787 0.4031
385.79 0.1522 0.5593 0.4993 0.3854
386.39 0.1416 0.5437 0.4806 0.3843
386.65 0.1310 0.7195 0.6587 0.2681
387.71 0.1283 0.5263 0.4792 0.3666
389.09 0.1311 0.5237 0.5032 0.3377
389.24 0.1284 0.5054 0.4891 0.3418
390.71 0.1083 0.5339 0.5200 0.3041
391.11 0.1085 0.5771 0.6038 0.2533
391.68 0.1037 0.5663 0.5833 0.2629

Temperature, K x Mole fraction [ref]

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

Fixed Measured
Temperature, K - Liquid mixture 1 Mole fraction of Acetic acid (2) - Liquid mixture 1 Mole fraction of Water (3) - Liquid mixture 1 Mole fraction of Water (3) - Liquid mixture 2 Mole fraction of Acetic acid (2) - Liquid mixture 2
304.15 0.0000 0.9995 0.0750 0.0000
304.15 0.0167 0.9821 0.1207 0.0475
304.15 0.0332 0.9652 0.1351 0.0969
304.15 0.0483 0.9498 0.1655 0.1457
304.15 0.0670 0.9307 0.1941 0.1875
304.15 0.0844 0.9122 0.2289 0.2314
304.15 0.1043 0.8911 0.2690 0.2599
304.15 0.1233 0.8702 0.3246 0.2875
304.15 0.1353 0.8568 0.3795 0.3251
332.15 0.0000 0.9992 0.1055 0.0000
332.15 0.0164 0.9822 0.1453 0.0522
332.15 0.0325 0.9661 0.1416 0.1039
332.15 0.0509 0.9472 0.1896 0.1411
332.15 0.0690 0.9270 0.2298 0.1984
332.15 0.0980 0.8959 0.2780 0.2398
332.15 0.1253 0.8663 0.3215 0.2912
332.15 0.1779 0.8046 0.3857 0.3106
366.15 0.0000 0.9991 0.1126 0.0000
366.15 0.0163 0.9822 0.1419 0.0463
366.15 0.0322 0.9656 0.1885 0.1276
366.15 0.0523 0.9438 0.2140 0.1839
366.15 0.0893 0.9058 0.2539 0.2146
366.15 0.1098 0.8848 0.2902 0.2309
366.15 0.1333 0.8577 0.3386 0.2701
366.15 0.1720 0.8027 0.4081 0.3017

Mole fraction of Acetic acid, pentyl ester (1) [ref]

Operational conditions:

Mole fraction of Acetic acid (2) - Liquid mixture 1 Mole fraction of Acetic acid, pentyl ester (1) - Liquid mixture 1
0.2850 0.0770
0.2850 0.0790
0.2860 0.0800
0.2890 0.0870
0.2930 0.0950
0.3010 0.1130
0.3040 0.1220
0.3120 0.1620
0.3090 0.1620
0.3110 0.1730
0.3120 0.1810
0.3130 0.1900
0.3140 0.2020
0.3140 0.2150
0.3140 0.2300
0.3120 0.2640
0.3020 0.3110
0.2650 0.4240
0.1990 0.5580
0.1980 0.5560
0.2690 0.0470
0.2850 0.0760
0.2920 0.0920
0.3060 0.1320

Mole fraction [ref]

Operational conditions:

Fixed Measured
Mole fraction of Acetic acid (2) - Liquid mixture 2 Mole fraction of Acetic acid, pentyl ester (1) - Liquid mixture 2 Mole fraction of Acetic acid (2) - Liquid mixture 1 Mole fraction of Acetic acid, pentyl ester (1) - Liquid mixture 1
0.0930 0.0070 0.2470 0.5200
0.1210 0.0020 0.2940 0.3960
0.1380 0.0040 0.3170 0.2940
0.0670 0.0020 0.1870 0.6330
0.0330 0.0020 0.0910 0.7830

Temperature, K x Mole fraction [ref]

Operational condition: Pressure, kPa = 101.33 (Liquid)

Fixed Measured
Temperature, K - Liquid Mole fraction of Water (3) - Liquid Mole fraction of Acetic acid (2) - Liquid Mole fraction of Acetic acid (2) - Gas Mole fraction of Water (3) - Gas
376.30 0.4416 0.5010 0.3210 0.6226
376.50 0.4547 0.4997 0.3184 0.6303
376.71 0.4283 0.4807 0.3230 0.6075
377.01 0.4750 0.5091 0.3558 0.6197
377.82 0.3548 0.5609 0.3750 0.5649
378.02 0.3437 0.5646 0.3677 0.5686
381.72 0.2377 0.6329 0.4912 0.4307
385.03 0.2105 0.5522 0.4787 0.4031
385.79 0.1522 0.5593 0.4993 0.3854
386.39 0.1416 0.5437 0.4806 0.3843
386.65 0.1310 0.7195 0.6587 0.2681
387.71 0.1283 0.5263 0.4792 0.3666
389.09 0.1311 0.5237 0.5032 0.3377
389.24 0.1284 0.5054 0.4891 0.3418
390.71 0.1083 0.5339 0.5200 0.3041
391.11 0.1085 0.5771 0.6038 0.2533
391.68 0.1037 0.5663 0.5833 0.2629

Temperature, K x Mole fraction [ref]

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

Fixed Measured
Temperature, K - Liquid mixture 1 Mole fraction of Acetic acid (2) - Liquid mixture 1 Mole fraction of Water (3) - Liquid mixture 1 Mole fraction of Water (3) - Liquid mixture 2 Mole fraction of Acetic acid (2) - Liquid mixture 2
304.15 0.0000 0.9995 0.0750 0.0000
304.15 0.0167 0.9821 0.1207 0.0475
304.15 0.0332 0.9652 0.1351 0.0969
304.15 0.0483 0.9498 0.1655 0.1457
304.15 0.0670 0.9307 0.1941 0.1875
304.15 0.0844 0.9122 0.2289 0.2314
304.15 0.1043 0.8911 0.2690 0.2599
304.15 0.1233 0.8702 0.3246 0.2875
304.15 0.1353 0.8568 0.3795 0.3251
332.15 0.0000 0.9992 0.1055 0.0000
332.15 0.0164 0.9822 0.1453 0.0522
332.15 0.0325 0.9661 0.1416 0.1039
332.15 0.0509 0.9472 0.1896 0.1411
332.15 0.0690 0.9270 0.2298 0.1984
332.15 0.0980 0.8959 0.2780 0.2398
332.15 0.1253 0.8663 0.3215 0.2912
332.15 0.1779 0.8046 0.3857 0.3106
366.15 0.0000 0.9991 0.1126 0.0000
366.15 0.0163 0.9822 0.1419 0.0463
366.15 0.0322 0.9656 0.1885 0.1276
366.15 0.0523 0.9438 0.2140 0.1839
366.15 0.0893 0.9058 0.2539 0.2146
366.15 0.1098 0.8848 0.2902 0.2309
366.15 0.1333 0.8577 0.3386 0.2701
366.15 0.1720 0.8027 0.4081 0.3017

Sources