- Name
- D-Alanine
- InChI
- InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1
- InChI Key
- QNAYBMKLOCPYGJ-REOHCLBHSA-N
- Formula
- C3H7NO2
- SMILES
- CC(N)C(=O)O
- Mol. Weight (g/mol)
- 89.09
- CAS
- 338-69-2
- Name
- D-Valine
- InChI
- InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1
- InChI Key
- KZSNJWFQEVHDMF-BYPYZUCNSA-N
- Formula
- C5H11NO2
- SMILES
- CC(C)C(N)C(=O)O
- Mol. Weight (g/mol)
- 117.15
- CAS
- 640-68-6
- 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
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Datasets
Mass fraction of D-Alanine (1) [ref]
Operational conditions:
- Temperature, K = 293.15 (Liquid)
- Pressure, kPa = 100 (Liquid)
| Mass fraction of D-Valine (2) - Liquid | Mass fraction of D-Alanine (1) - Liquid |
|---|---|
| 0.0338 | 0.1197 |
| 0.0176 | 0.1265 |
| 0.0000 | 0.1292 |
Mass fraction [ref]
Operational conditions:
- Temperature, K = 293.15 (Liquid)
- Pressure, kPa = 100 (Liquid)
| Fixed | Measured | ||
|---|---|---|---|
| Mass fraction of D-Alanine (1) - Liquid | Mass fraction of D-Valine (2) - Liquid | Mass fraction of D-Valine (2) - Crystal | Mass fraction of D-Alanine (1) - Crystal |
| 0.0000 | 0.0611 | 1.0000 | 0.0000 |
| 0.0222 | 0.0585 | 0.9900 | 0.0100 |
| 0.0387 | 0.0565 | 0.9690 | 0.0310 |
| 0.0574 | 0.0556 | 0.9490 | 0.0510 |
| 0.0713 | 0.0525 | 0.9270 | 0.0730 |
| 0.0880 | 0.0499 | 0.8600 | 0.1400 |
| 0.1026 | 0.0478 | 0.8080 | 0.1920 |
| 0.1137 | 0.0442 | 0.7390 | 0.2610 |
Mass fraction of D-Alanine (1) [ref]
Operational conditions:
- Temperature, K = 293.15 (Liquid)
- Pressure, kPa = 100 (Liquid)
| Mass fraction of D-Valine (2) - Liquid | Mass fraction of D-Alanine (1) - Liquid |
|---|---|
| 0.0338 | 0.1197 |
| 0.0176 | 0.1265 |
| 0.0000 | 0.1292 |
Mass fraction [ref]
Operational conditions:
- Temperature, K = 293.15 (Liquid)
- Pressure, kPa = 100 (Liquid)
| Fixed | Measured | ||
|---|---|---|---|
| Mass fraction of D-Alanine (1) - Liquid | Mass fraction of D-Valine (2) - Liquid | Mass fraction of D-Valine (2) - Crystal | Mass fraction of D-Alanine (1) - Crystal |
| 0.0000 | 0.0611 | 1.0000 | 0.0000 |
| 0.0222 | 0.0585 | 0.9900 | 0.0100 |
| 0.0387 | 0.0565 | 0.9690 | 0.0310 |
| 0.0574 | 0.0556 | 0.9490 | 0.0510 |
| 0.0713 | 0.0525 | 0.9270 | 0.0730 |
| 0.0880 | 0.0499 | 0.8600 | 0.1400 |
| 0.1026 | 0.0478 | 0.8080 | 0.1920 |
| 0.1137 | 0.0442 | 0.7390 | 0.2610 |