- 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 |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [147.95; 321.90] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 2.85610e+01 | |||
| Coefficient B | 4.91840e-01 | |||
| Coefficient C | -2.00200e-04 | |||
| Coefficient D | 1.70000e-09 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 147.95 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 177.58 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 204.63 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 229.09 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 250.97 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 270.28 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 287.02 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 301.21 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 312.83 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 321.90 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to L-Alanine, ethyl ester.
Sources
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