Mixture of Methyl Alcohol + Water + Pregabalin

Excel

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

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
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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 Methyl Alcohol (1) - Liquid Mole fraction of Pregabalin (3) - Liquid
283.15 0.0000 0.0035
283.15 0.0590 0.0029
283.15 0.1230 0.0022
283.15 0.1940 0.0020
283.15 0.2730 0.0019
283.15 0.3600 0.0018
283.15 0.4570 0.0018
283.15 0.5680 0.0017
283.15 0.6940 0.0016
283.15 1.0000 0.0009
298.15 0.0000 0.0037
298.15 0.0590 0.0034
298.15 0.1230 0.0030
298.15 0.1940 0.0028
298.15 0.2730 0.0028
298.15 0.3600 0.0030
298.15 0.4570 0.0029
298.15 0.5680 0.0026
298.15 0.6940 0.0019
298.15 1.0000 0.0011
308.15 0.0000 0.0040
308.15 0.0590 0.0038
308.15 0.1230 0.0037
308.15 0.1940 0.0037
308.15 0.2730 0.0038
308.15 0.3600 0.0040
308.15 0.4570 0.0040
308.15 0.5680 0.0037
308.15 0.6940 0.0028
308.15 1.0000 0.0017
315.65 0.0000 0.0045
315.65 0.0590 0.0044
315.65 0.1230 0.0045
315.65 0.1940 0.0047
315.65 0.2730 0.0049
315.65 0.3600 0.0051
315.65 0.4570 0.0051
315.65 0.5680 0.0048
315.65 0.6940 0.0041
315.65 1.0000 0.0020
323.15 0.0000 0.0049
323.15 0.0590 0.0053
323.15 0.1230 0.0054
323.15 0.1940 0.0057
323.15 0.2730 0.0062
323.15 0.3600 0.0066
323.15 0.4570 0.0065
323.15 0.5680 0.0060
323.15 0.6940 0.0051
323.15 1.0000 0.0027
328.15 0.0000 0.0053
328.15 0.0590 0.0057
328.15 0.1230 0.0060
328.15 0.1940 0.0067
328.15 0.2730 0.0072
328.15 0.3600 0.0077
328.15 0.4570 0.0076
328.15 0.5680 0.0071
328.15 0.6940 0.0058
328.15 1.0000 0.0029
338.15 0.0000 0.0064
338.15 0.0590 0.0071
338.15 0.1230 0.0078
338.15 0.1940 0.0089
338.15 0.2730 0.0091
338.15 0.3600 0.0105
338.15 0.4570 0.0104
338.15 0.5680 0.0097
338.15 0.6940 0.0078
338.15 1.0000 0.0032

Mole fraction of Pregabalin (3) [ref]

Operational condition: Pressure, kPa = 100 (Liquid)

Fixed Measured
Temperature, K - Liquid Solvent: Mole fraction of Methyl Alcohol (1) - Liquid Mole fraction of Pregabalin (3) - Liquid
283.15 0.0000 0.0035
283.15 0.0590 0.0029
283.15 0.1230 0.0022
283.15 0.1940 0.0020
283.15 0.2730 0.0019
283.15 0.3600 0.0018
283.15 0.4570 0.0018
283.15 0.5680 0.0017
283.15 0.6940 0.0016
283.15 1.0000 0.0009
298.15 0.0000 0.0037
298.15 0.0590 0.0034
298.15 0.1230 0.0030
298.15 0.1940 0.0028
298.15 0.2730 0.0028
298.15 0.3600 0.0030
298.15 0.4570 0.0029
298.15 0.5680 0.0026
298.15 0.6940 0.0019
298.15 1.0000 0.0011
308.15 0.0000 0.0040
308.15 0.0590 0.0038
308.15 0.1230 0.0037
308.15 0.1940 0.0037
308.15 0.2730 0.0038
308.15 0.3600 0.0040
308.15 0.4570 0.0040
308.15 0.5680 0.0037
308.15 0.6940 0.0028
308.15 1.0000 0.0017
315.65 0.0000 0.0045
315.65 0.0590 0.0044
315.65 0.1230 0.0045
315.65 0.1940 0.0047
315.65 0.2730 0.0049
315.65 0.3600 0.0051
315.65 0.4570 0.0051
315.65 0.5680 0.0048
315.65 0.6940 0.0041
315.65 1.0000 0.0020
323.15 0.0000 0.0049
323.15 0.0590 0.0053
323.15 0.1230 0.0054
323.15 0.1940 0.0057
323.15 0.2730 0.0062
323.15 0.3600 0.0066
323.15 0.4570 0.0065
323.15 0.5680 0.0060
323.15 0.6940 0.0051
323.15 1.0000 0.0027
328.15 0.0000 0.0053
328.15 0.0590 0.0057
328.15 0.1230 0.0060
328.15 0.1940 0.0067
328.15 0.2730 0.0072
328.15 0.3600 0.0077
328.15 0.4570 0.0076
328.15 0.5680 0.0071
328.15 0.6940 0.0058
328.15 1.0000 0.0029
338.15 0.0000 0.0064
338.15 0.0590 0.0071
338.15 0.1230 0.0078
338.15 0.1940 0.0089
338.15 0.2730 0.0091
338.15 0.3600 0.0105
338.15 0.4570 0.0104
338.15 0.5680 0.0097
338.15 0.6940 0.0078
338.15 1.0000 0.0032

Sources