please re-login

Mixture of Isopropyl Alcohol + Water + Pregabalin

Excel

Isopropyl Alcohol

Name
Isopropyl Alcohol
InChI
InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3
InChI Key
KFZMGEQAYNKOFK-UHFFFAOYSA-N
Formula
C3H8O
SMILES
CC(C)O
Mol. Weight (g/mol)
60.09
CAS
67-63-0

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

Pregabalin

Name
Pregabalin
InChI
InChI=1S/C8H17NO2/c1-6(2)3-7(5-9)4-8(10)11/h6-7H,3-5,9H2,1-2H3,(H,10,11)
InChI Key
AYXYPKUFHZROOJ-UHFFFAOYSA-N
Formula
C8H17NO2
SMILES
CC(C)CC(CN)CC(=O)O
Mol. Weight (g/mol)
159.23
CAS
148553-50-8
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 (2)

Mole fraction of Pregabalin (3) [ref]

Operational condition: Pressure, kPa = 100 (Liquid)

Fixed Measured
Temperature, K - Liquid Solvent: Mole fraction of Isopropyl Alcohol (1) - Liquid Mole fraction of Pregabalin (3) - Liquid
283.15 0.0000 0.0035
298.15 0.0000 0.0037
308.15 0.0000 0.0040
315.65 0.0000 0.0045
323.15 0.0000 0.0049
328.15 0.0000 0.0053
338.15 0.0000 0.0064
315.65 0.0320 0.0043
328.15 0.0320 0.0056
338.15 0.0320 0.0074
308.15 0.0700 0.0034
283.15 0.0700 0.0016
315.65 0.0700 0.0048
323.15 0.0700 0.0062
298.15 0.0700 0.0026
328.15 0.0700 0.0072
338.15 0.0700 0.0100
315.65 0.1140 0.0059
328.15 0.1140 0.0091
338.15 0.1140 0.0126
315.65 0.1660 0.0068
323.15 0.1660 0.0086
283.15 0.1660 0.0019
328.15 0.1660 0.0104
298.15 0.1660 0.0036
308.15 0.1660 0.0050
338.15 0.1660 0.0143
283.15 0.2290 0.0020
323.15 0.2290 0.0089
298.15 0.2290 0.0036
328.15 0.2290 0.0105
308.15 0.2290 0.0053
315.65 0.2290 0.0070
338.15 0.2290 0.0136
323.15 0.3080 0.0081
298.15 0.3080 0.0035
308.15 0.3080 0.0049
328.15 0.3080 0.0094
283.15 0.3080 0.0018
315.65 0.3080 0.0064
338.15 0.3080 0.0126
328.15 0.4110 0.0071
315.65 0.4110 0.0050
338.15 0.4110 0.0094
323.15 0.5460 0.0034
328.15 0.5460 0.0040
283.15 0.5460 0.0008
308.15 0.5460 0.0021
298.15 0.5460 0.0016
315.65 0.5460 0.0030
338.15 0.5460 0.0049
328.15 1.0000 0.0001
298.15 1.0000 0.0001
283.15 1.0000 0.0000
323.15 1.0000 0.0001
315.65 1.0000 0.0001
308.15 1.0000 0.0001

Mole fraction of Pregabalin (3) [ref]

Operational condition: Pressure, kPa = 100 (Liquid)

Fixed Measured
Temperature, K - Liquid Solvent: Mole fraction of Isopropyl Alcohol (1) - Liquid Mole fraction of Pregabalin (3) - Liquid
283.15 0.0000 0.0035
298.15 0.0000 0.0037
308.15 0.0000 0.0040
315.65 0.0000 0.0045
323.15 0.0000 0.0049
328.15 0.0000 0.0053
338.15 0.0000 0.0064
315.65 0.0320 0.0043
328.15 0.0320 0.0056
338.15 0.0320 0.0074
308.15 0.0700 0.0034
283.15 0.0700 0.0016
315.65 0.0700 0.0048
323.15 0.0700 0.0062
298.15 0.0700 0.0026
328.15 0.0700 0.0072
338.15 0.0700 0.0100
315.65 0.1140 0.0059
328.15 0.1140 0.0091
338.15 0.1140 0.0126
315.65 0.1660 0.0068
323.15 0.1660 0.0086
283.15 0.1660 0.0019
328.15 0.1660 0.0104
298.15 0.1660 0.0036
308.15 0.1660 0.0050
338.15 0.1660 0.0143
283.15 0.2290 0.0020
323.15 0.2290 0.0089
298.15 0.2290 0.0036
328.15 0.2290 0.0105
308.15 0.2290 0.0053
315.65 0.2290 0.0070
338.15 0.2290 0.0136
323.15 0.3080 0.0081
298.15 0.3080 0.0035
308.15 0.3080 0.0049
328.15 0.3080 0.0094
283.15 0.3080 0.0018
315.65 0.3080 0.0064
338.15 0.3080 0.0126
328.15 0.4110 0.0071
315.65 0.4110 0.0050
338.15 0.4110 0.0094
323.15 0.5460 0.0034
328.15 0.5460 0.0040
283.15 0.5460 0.0008
308.15 0.5460 0.0021
298.15 0.5460 0.0016
315.65 0.5460 0.0030
338.15 0.5460 0.0049
328.15 1.0000 0.0001
298.15 1.0000 0.0001
283.15 1.0000 0.0000
323.15 1.0000 0.0001
315.65 1.0000 0.0001
308.15 1.0000 0.0001

Sources