- InChI
- InChI=1S/C6H12N2O3/c1-3(7)5(9)8-4(2)6(10)11/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11)
- InChI Key
- DEFJQIDDEAULHB-UHFFFAOYSA-N
- Formula
- C6H12N2O3
- SMILES
- CC(N)C(=O)NC(C)C(=O)O
- Molecular Weight1
- 160.17
- CAS
- 2867-20-1
- Other Names
-
- Alanine, N-DL-alanyl-, DL-
- DL-Ala-DL-Ala
- DL-Alanyl-DL-alanine
- N-DL-Alanyl-DL-alanine
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,solid : Solid phase heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°solid | -3267.50 ± 1.80 | kJ/mol | NIST |
| ΔfG° | -244.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -467.86 | kJ/mol | Joback Calculated Property |
| ΔfH°solid | -807.30 ± 1.90 | kJ/mol | NIST |
| ΔfusH° | 21.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.42 | kJ/mol | Joback Calculated Property |
| log10WS | -0.06 | Crippen Calculated Property | |
| logPoct/wat | -1.077 | Crippen Calculated Property | |
| McVol | 124.370 | ml/mol | McGowan Calculated Property |
| Pc | 4504.30 | kPa | Joback Calculated Property |
| Tboil | 658.42 | K | Joback Calculated Property |
| Tc | 855.69 | K | Joback Calculated Property |
| Tfus | 423.98 | K | Joback Calculated Property |
| Vc | 0.455 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [331.27; 376.72] | J/mol×K | [658.42; 855.69] | 
|
| Cp,gas | 331.27 | J/mol×K | 658.42 | Joback Calculated Property |
| Cp,gas | 340.11 | J/mol×K | 691.30 | Joback Calculated Property |
| Cp,gas | 348.42 | J/mol×K | 724.18 | Joback Calculated Property |
| Cp,gas | 356.22 | J/mol×K | 757.06 | Joback Calculated Property |
| Cp,gas | 363.53 | J/mol×K | 789.94 | Joback Calculated Property |
| Cp,gas | 370.36 | J/mol×K | 822.82 | Joback Calculated Property |
| Cp,gas | 376.72 | J/mol×K | 855.69 | Joback Calculated Property |
| Cp,solid | 189.00 | J/mol×K | 298.00 | NIST |
| ΔfusH | 33.20 | kJ/mol | 483.20 | NIST |
Similar Compounds
Find more compounds similar to DL-Alanine, N-DL-alanyl-.
Sources
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