- 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
- 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
- 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
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 |