- InChI
- InChI=1S/C8H15NO4/c1-4-12-7(10)6(3)9-8(11)13-5-2/h6H,4-5H2,1-3H3,(H,9,11)
- InChI Key
- OMECLFTURFUIIJ-UHFFFAOYSA-N
- Formula
- C8H15NO4
- SMILES
- CCOC(=O)NC(C)C(=O)OCC
- Molecular Weight1
- 189.21
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.6165 | Relay (1.0) Calculated Property | |
| ΔfG° | -364.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -856.10 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.01 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.12 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.21 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.684 | Crippen Calculated Property | |
| McVol | 148.440 | ml/mol | McGowan Calculated Property |
| Pc | 2850.52 | kPa | Joback Calculated Property |
| Inp | 1279.00 | NIST | |
| Tboil | 500.76 | K | Relay (1.0) Calculated Property |
| Tc | 684.36 | K | Relay (1.0) Calculated Property |
| Tfus | 292.34 | K | Relay (1.0) Calculated Property |
| Vc | 0.562 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [370.04; 434.22] | J/mol×K | [584.75; 773.64] | 
|
| Cp,gas | 370.04 | J/mol×K | 584.75 | Joback Calculated Property |
| Cp,gas | 382.08 | J/mol×K | 616.23 | Joback Calculated Property |
| Cp,gas | 393.59 | J/mol×K | 647.71 | Joback Calculated Property |
| Cp,gas | 404.56 | J/mol×K | 679.19 | Joback Calculated Property |
| Cp,gas | 415.00 | J/mol×K | 710.67 | Joback Calculated Property |
| Cp,gas | 424.89 | J/mol×K | 742.15 | Joback Calculated Property |
| Cp,gas | 434.22 | J/mol×K | 773.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to D-Alanine, N-ethoxycarbonyl-, ethyl ester.
Sources
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