- InChI
- InChI=1S/C9H18N2O3/c1-3-4-5-7(9(13)14)11-8(12)6(2)10/h6-7H,3-5,10H2,1-2H3,(H,11,12)(H,13,14)
- InChI Key
- RSIYBPVKRVHPQK-UHFFFAOYSA-N
- Formula
- C9H18N2O3
- SMILES
- CCCCC(NC(=O)C(C)N)C(=O)O
- Molecular Weight1
- 202.25
- CAS
- 19079-66-4
- Other Names
-
- DL-.alpha.-alanyl-DL-norleucine
- N-(dl-Alanyl)norleucine
- Norleucine, alanyl-
- alanylnorleucine
- «alpha»-Alanylnorleucine (DL)
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,solid : Solid phase heat capacity (J/mol×K).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -682.73 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.90 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 0.093 | Crippen Calculated Property | |
| McVol | 166.640 | ml/mol | McGowan Calculated Property |
| Pc | 3163.27 | kPa | Joback Calculated Property |
| Tboil | 541.19 | K | Relay (1.0) Calculated Property |
| Tc | 768.46 | K | Relay (1.0) Calculated Property |
| Tfus | 462.57 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [481.06; 536.84] | J/mol×K | [727.06; 919.26] | 
|
| Cp,gas | 481.06 | J/mol×K | 727.06 | Joback Calculated Property |
| Cp,gas | 491.88 | J/mol×K | 759.09 | Joback Calculated Property |
| Cp,gas | 502.06 | J/mol×K | 791.13 | Joback Calculated Property |
| Cp,gas | 511.63 | J/mol×K | 823.16 | Joback Calculated Property |
| Cp,gas | 520.60 | J/mol×K | 855.19 | Joback Calculated Property |
| Cp,gas | 528.99 | J/mol×K | 887.23 | Joback Calculated Property |
| Cp,gas | 536.84 | J/mol×K | 919.26 | Joback Calculated Property |
| Cp,solid | [275.70; 276.00] | J/mol×K | [298.00; 298.00] |
|
| Cp,solid | 276.00 | J/mol×K | 298.00 | NIST |
| Cp,solid | 275.70 | J/mol×K | 298.00 | NIST |
Similar Compounds
Find more compounds similar to dl-Alanyl-dl-norleucine.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Influence of the composition of aqueous-alcohol solvents on the thermodynamic characteristics of DL-a-alanyl-DL-norleucine dissolution at 298.15K
- Joback Method
- McGowan Method
- NIST Webbook
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