Mixture of Pentanoic acid, ethyl ester + Pentanoic acid + Water

Excel

Pentanoic acid, ethyl ester

Name
Pentanoic acid, ethyl ester
InChI
InChI=1S/C7H14O2/c1-3-5-6-7(8)9-4-2/h3-6H2,1-2H3
InChI Key
ICMAFTSLXCXHRK-UHFFFAOYSA-N
Formula
C7H14O2
SMILES
CCCCC(=O)OCC
Mol. Weight (g/mol)
130.18
CAS
539-82-2

Pentanoic acid

Name
Pentanoic acid
InChI
InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)
InChI Key
NQPDZGIKBAWPEJ-UHFFFAOYSA-N
Formula
C5H10O2
SMILES
CCCCC(=O)O
Mol. Weight (g/mol)
102.13
CAS
109-52-4

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
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 (4)
  2. n0 - Refractive index (Na D-line) (2)
  3. ρl - Mass density, kg/m3 (2)

Mole fraction of Water (3) [ref]

Operational condition: Pressure, kPa = 91.1 (Liquid mixture 1)

Fixed Measured
Temperature, K - Liquid mixture 1 Mole fraction of Pentanoic acid (2) - Liquid mixture 1 Mole fraction of Water (3) - Liquid mixture 1
293.20 0.0784 0.1133
293.20 0.0016 0.9980
293.20 0.1858 0.1523
293.20 0.2440 0.1597
293.20 0.5395 0.3478
293.20 0.2953 0.1644
293.20 0.4810 0.2748
293.20 0.5271 0.4459
293.20 0.5393 0.4155
293.20 0.5391 0.3741
293.20 0.5352 0.3450
293.20 0.5179 0.2967
293.20 0.4603 0.2287
293.20 0.4261 0.2007
293.20 0.3700 0.1893
293.20 0.2982 0.1602
293.20 0.1339 0.1374
318.20 0.0041 0.9955
318.20 0.0983 0.1241
318.20 0.1963 0.1881
318.20 0.2620 0.2262
318.20 0.3896 0.3036
318.20 0.4292 0.3464
318.20 0.4745 0.3768
318.20 0.4702 0.4747
318.20 0.4412 0.5341
293.20 0.0000 0.0319
293.20 0.0000 0.9996
318.20 0.0000 0.0773
318.20 0.0000 0.9993
293.20 0.5176 0.4824
293.20 0.0059 0.9941
318.20 0.4258 0.5742
318.20 0.0069 0.9931

Temperature, K x Mole fraction [ref]

Operational condition: Pressure, kPa = 91.1 (Liquid mixture 2)

Fixed Measured
Temperature, K - Liquid mixture 1 Mole fraction of Pentanoic acid (2) - Liquid mixture 2 Mole fraction of Water (3) - Liquid mixture 2 Mole fraction of Water (3) - Liquid mixture 1 Mole fraction of Pentanoic acid (2) - Liquid mixture 1
293.20 0.0001 0.9985 0.1471 0.1824
293.20 0.0001 0.9983 0.1955 0.3386
293.20 0.0020 0.9979 0.2350 0.4043
293.20 0.0021 0.9978 0.2914 0.4619
293.20 0.0024 0.9975 0.3408 0.5182
318.20 0.0001 0.9983 0.1571 0.1724
318.20 0.0024 0.9975 0.2257 0.3123
318.20 0.0027 0.9972 0.2795 0.3884
318.20 0.0028 0.9971 0.3376 0.4383
318.20 0.0036 0.9963 0.4172 0.4808

Mole fraction of Water (3) [ref]

Operational condition: Pressure, kPa = 91.1 (Liquid mixture 1)

Fixed Measured
Temperature, K - Liquid mixture 1 Mole fraction of Pentanoic acid (2) - Liquid mixture 1 Mole fraction of Water (3) - Liquid mixture 1
293.20 0.0784 0.1133
293.20 0.0016 0.9980
293.20 0.1858 0.1523
293.20 0.2440 0.1597
293.20 0.5395 0.3478
293.20 0.2953 0.1644
293.20 0.4810 0.2748
293.20 0.5271 0.4459
293.20 0.5393 0.4155
293.20 0.5391 0.3741
293.20 0.5352 0.3450
293.20 0.5179 0.2967
293.20 0.4603 0.2287
293.20 0.4261 0.2007
293.20 0.3700 0.1893
293.20 0.2982 0.1602
293.20 0.1339 0.1374
318.20 0.0041 0.9955
318.20 0.0983 0.1241
318.20 0.1963 0.1881
318.20 0.2620 0.2262
318.20 0.3896 0.3036
318.20 0.4292 0.3464
318.20 0.4745 0.3768
318.20 0.4702 0.4747
318.20 0.4412 0.5341
293.20 0.0000 0.0319
293.20 0.0000 0.9996
318.20 0.0000 0.0773
318.20 0.0000 0.9993
293.20 0.5176 0.4824
293.20 0.0059 0.9941
318.20 0.4258 0.5742
318.20 0.0069 0.9931

Temperature, K x Mole fraction [ref]

Operational condition: Pressure, kPa = 91.1 (Liquid mixture 2)

Fixed Measured
Temperature, K - Liquid mixture 1 Mole fraction of Pentanoic acid (2) - Liquid mixture 2 Mole fraction of Water (3) - Liquid mixture 2 Mole fraction of Water (3) - Liquid mixture 1 Mole fraction of Pentanoic acid (2) - Liquid mixture 1
293.20 0.0001 0.9985 0.1471 0.1824
293.20 0.0001 0.9983 0.1955 0.3386
293.20 0.0020 0.9979 0.2350 0.4043
293.20 0.0021 0.9978 0.2914 0.4619
293.20 0.0024 0.9975 0.3408 0.5182
318.20 0.0001 0.9983 0.1571 0.1724
318.20 0.0024 0.9975 0.2257 0.3123
318.20 0.0027 0.9972 0.2795 0.3884
318.20 0.0028 0.9971 0.3376 0.4383
318.20 0.0036 0.9963 0.4172 0.4808

Refractive index (Na D-line) [ref]

Operational conditions:

Fixed Measured
Mass fraction of Pentanoic acid (2) - Liquid Mass fraction of Water (3) - Liquid Refractive index (Na D-line) - Liquid
0.1820 0.0231 1.4003
0.3188 0.0243 1.4022
0.3268 0.0255 1.4023
0.4218 0.0354 1.4035
0.4847 0.0361 1.4035
0.5252 0.0451 1.404
0.6681 0.0687 1.4042
0.8080 0.1083 1.404
0.8293 0.1157 1.4037
0.0060 0.9920 1.3332

Refractive index (Na D-line) [ref]

Operational conditions:

Fixed Measured
Mass fraction of Pentanoic acid (2) - Liquid Mass fraction of Water (3) - Liquid Refractive index (Na D-line) - Liquid
0.1820 0.0231 1.4003
0.3188 0.0243 1.4022
0.3268 0.0255 1.4023
0.4218 0.0354 1.4035
0.4847 0.0361 1.4035
0.5252 0.0451 1.404
0.6681 0.0687 1.4042
0.8080 0.1083 1.404
0.8293 0.1157 1.4037
0.0060 0.9920 1.3332

Mass density, kg/m3 [ref]

Operational conditions:

Fixed Measured
Mass fraction of Pentanoic acid (2) - Liquid Mass fraction of Water (3) - Liquid Mass density, kg/m3 - Liquid
0.1820 0.0231 891.16
0.3188 0.0243 900.482
0.3268 0.0255 901.069
0.4218 0.0354 908.749
0.4847 0.0361 914.138
0.5252 0.0451 918.348
0.6681 0.0687 932.619
0.8080 0.1083 948.526
0.8293 0.1157 951.151
0.0060 0.9920 998.268

Mass density, kg/m3 [ref]

Operational conditions:

Fixed Measured
Mass fraction of Pentanoic acid (2) - Liquid Mass fraction of Water (3) - Liquid Mass density, kg/m3 - Liquid
0.1820 0.0231 891.16
0.3188 0.0243 900.482
0.3268 0.0255 901.069
0.4218 0.0354 908.749
0.4847 0.0361 914.138
0.5252 0.0451 918.348
0.6681 0.0687 932.619
0.8080 0.1083 948.526
0.8293 0.1157 951.151
0.0060 0.9920 998.268

Sources