- 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
- ω : Acentric Factor.
- 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 | 0.4576 | Relay (1.0) Calculated Property | |
| ΔfG° | -255.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -446.51 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.00 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.72 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.14 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.103 | Crippen Calculated Property | |
| McVol | 98.730 | ml/mol | McGowan Calculated Property |
| Pc | 3773.04 | kPa | Joback Calculated Property |
| Tboil | 412.94 | K | Relay (1.0) Calculated Property |
| Tc | 593.90 | K | Relay (1.0) Calculated Property |
| Tfus | 355.94 | K | Relay (1.0) Calculated Property |
| Vc | 0.369 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [207.72; 261.25] | J/mol×K | [444.31; 637.76] | 
|
| Cp,gas | 207.72 | J/mol×K | 444.31 | Joback Calculated Property |
| Cp,gas | 217.67 | J/mol×K | 476.55 | Joback Calculated Property |
| Cp,gas | 227.20 | J/mol×K | 508.79 | Joback Calculated Property |
| Cp,gas | 236.33 | J/mol×K | 541.03 | Joback Calculated Property |
| Cp,gas | 245.05 | J/mol×K | 573.28 | Joback Calculated Property |
| Cp,gas | 253.35 | J/mol×K | 605.52 | Joback Calculated Property |
| Cp,gas | 261.25 | J/mol×K | 637.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to L-Alanine, ethyl ester.
Sources
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