- 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)/t3-,4-/m0/s1
- InChI Key
- DEFJQIDDEAULHB-IMJSIDKUSA-N
- Formula
- C6H12N2O3
- SMILES
- CC(N)C(=O)NC(C)C(=O)O
- Molecular Weight1
- 160.17
- CAS
- 1948-31-8
- Other Names
-
- .alpha.-alanylalanine
- Ala-ala
- Alanylalanine
- L-alanyl-L-alanine
- N-(2-Aminopropanoyl)alanine. (L)-
- N-L-alanyl-L-alanine
- alanine, N-L-alanyl-, L-
- di-L-alanine
- dialanine
- «alpha»-Alanylalanine
- ω : Acentric Factor.
- BasG : Gas basicity (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).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.7244 | Relay (1.0) Calculated Property | |
| BasG | [887.00; 905.60] | kJ/mol |
|
| BasG | 905.60 | kJ/mol | NIST |
| BasG | 894.50 ± 1.20 | kJ/mol | NIST |
| BasG | 896.20 ± 6.30 | kJ/mol | NIST |
| BasG | 887.00 ± 3.00 | kJ/mol | NIST |
| ΔfG° | -244.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -627.68 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.73 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.62 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.28 | Relay (1.0) 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 | 506.75 | K | Relay (1.0) Calculated Property |
| Tc | 744.62 | K | Relay (1.0) Calculated Property |
| Tfus | 508.16 | K | Relay (1.0) Calculated Property |
| Vc | 0.439 | m3/kmol | Relay (1.0) 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 | 194.90 | J/mol×K | 298.00 | NIST |
Similar Compounds
Find more compounds similar to L-Alanine, N-L-alanyl-.
Mixtures
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Solvation behaviour of dipeptides of alanine in aqueous solutions of antibacterial drug ampicillin at different temperatures
- Joback Method
- McGowan Method
- NIST Webbook
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