- InChI
- InChI=1S/C5H11NO2/c1-3-8-5(7)4(2)6/h4H,3,6H2,1-2H3/t4-/m1/s1
- InChI Key
- ROBXZHNBBCHEIQ-SCSAIBSYSA-N
- Formula
- C5H11NO2
- SMILES
- CCOC(=O)C(C)N
- Molecular Weight1
- 117.15
- CAS
- 3082-75-5
- Other Names
-
- Alanine, ethyl ester, L-
- Alanine ethyl ester
- L-«alpha»-Alanine ethyl ester
- ethyl alaninate
- ethyl L-alaninate
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -178.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -362.82 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.13 | kJ/mol | Joback Calculated Property |
| log10WS | -0.32 | Crippen Calculated Property | |
| logPoct/wat | -0.103 | Crippen Calculated Property | |
| McVol | 98.730 | ml/mol | McGowan Calculated Property |
| Pc | 3970.51 | kPa | Joback Calculated Property |
| Tboil | 462.18 | K | Joback Calculated Property |
| Tc | 659.06 | K | Joback Calculated Property |
| Tfus | 286.53 | K | Joback Calculated Property |
| Vc | 0.362 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [210.74; 263.02] | J/mol×K | [462.18; 659.06] | 
|
| Cp,gas | 210.74 | J/mol×K | 462.18 | Joback Calculated Property |
| Cp,gas | 220.39 | J/mol×K | 494.99 | Joback Calculated Property |
| Cp,gas | 229.66 | J/mol×K | 527.81 | Joback Calculated Property |
| Cp,gas | 238.56 | J/mol×K | 560.62 | Joback Calculated Property |
| Cp,gas | 247.09 | J/mol×K | 593.43 | Joback Calculated Property |
| Cp,gas | 255.24 | J/mol×K | 626.24 | Joback Calculated Property |
| Cp,gas | 263.02 | J/mol×K | 659.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to L-Alanine, ethyl ester.
Sources
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