- InChI
- InChI=1S/C8H16N2O3/c1-4(2)6(8(12)13)10-7(11)5(3)9/h4-6H,9H2,1-3H3,(H,10,11)(H,12,13)/t5-,6-/m0/s1
- InChI Key
- LIWMQSWFLXEGMA-WDSKDSINSA-N
- Formula
- C8H16N2O3
- SMILES
- CC(N)C(=O)NC(C(=O)O)C(C)C
- Molecular Weight1
- 188.22
- CAS
- 3303-45-5
- Other Names
-
- L-alanyl-L-valine
- ala-val
- ω : Acentric Factor.
- BasG : Gas basicity (kJ/mol).
- Cp,gas : Ideal gas 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 | 0.7424 | Relay (1.0) Calculated Property | |
| BasG | 874.10 | kJ/mol | NIST |
| ΔfG° | -229.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -667.97 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.47 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.52 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.88 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.441 | Crippen Calculated Property | |
| McVol | 152.550 | ml/mol | McGowan Calculated Property |
| Pc | 3568.53 | kPa | Joback Calculated Property |
| Tboil | 515.10 | K | Relay (1.0) Calculated Property |
| Tc | 746.96 | K | Relay (1.0) Calculated Property |
| Tfus | 497.05 | K | Relay (1.0) Calculated Property |
| Vc | 0.521 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [430.34; 483.71] | J/mol×K | [703.74; 900.15] | 
|
| Cp,gas | 430.34 | J/mol×K | 703.74 | Joback Calculated Property |
| Cp,gas | 440.75 | J/mol×K | 736.48 | Joback Calculated Property |
| Cp,gas | 450.52 | J/mol×K | 769.21 | Joback Calculated Property |
| Cp,gas | 459.68 | J/mol×K | 801.95 | Joback Calculated Property |
| Cp,gas | 468.26 | J/mol×K | 834.68 | Joback Calculated Property |
| Cp,gas | 476.26 | J/mol×K | 867.42 | Joback Calculated Property |
| Cp,gas | 483.71 | J/mol×K | 900.15 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to N-L-alanyl-L-valine.
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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