- InChI
- InChI=1S/C11H21NO4/c1-6-15-11(14)12-8(4)10(13)16-9(5)7(2)3/h7-9H,6H2,1-5H3,(H,12,14)/t8?,9-/m0/s1
- InChI Key
- SURZINZIGAZKED-GKAPJAKFSA-N
- Formula
- C11H21NO4
- SMILES
- CCOC(=O)NC(C)C(=O)OC(C)C(C)C
- Molecular Weight1
- 231.29
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -344.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -722.34 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.66 | kJ/mol | Joback Calculated Property |
| log10WS | -2.30 | Crippen Calculated Property | |
| logPoct/wat | 1.709 | Crippen Calculated Property | |
| McVol | 190.710 | ml/mol | McGowan Calculated Property |
| Pc | 2173.43 | kPa | Joback Calculated Property |
| Inp | [1473.30; 1473.30] |
|
|
| Inp | 1473.30 | NIST | |
| Inp | 1473.30 | NIST | |
| Tboil | 652.51 | K | Joback Calculated Property |
| Tc | 842.10 | K | Joback Calculated Property |
| Tfus | 365.71 | K | Joback Calculated Property |
| Vc | 0.717 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [520.32; 596.92] | J/mol×K | [652.51; 842.10] |
|
| Cp,gas | 520.32 | J/mol×K | 652.51 | Joback Calculated Property |
| Cp,gas | 534.94 | J/mol×K | 684.11 | Joback Calculated Property |
| Cp,gas | 548.82 | J/mol×K | 715.71 | Joback Calculated Property |
| Cp,gas | 561.96 | J/mol×K | 747.30 | Joback Calculated Property |
| Cp,gas | 574.35 | J/mol×K | 778.90 | Joback Calculated Property |
| Cp,gas | 586.01 | J/mol×K | 810.50 | Joback Calculated Property |
| Cp,gas | 596.92 | J/mol×K | 842.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to L-Alanine, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester.
Sources
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