- InChI
- InChI=1S/C11H21NO4/c1-4-6-7-8-16-10(13)9(3)12-11(14)15-5-2/h9H,4-8H2,1-3H3,(H,12,14)
- InChI Key
- ZKVSNJAWCFKQHT-UHFFFAOYSA-N
- Formula
- C11H21NO4
- SMILES
- CCCCCOC(=O)C(C)NC(=O)OCC
- Molecular Weight1
- 231.29
- 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 | 0.7311 | Relay (1.0) Calculated Property | |
| ΔfG° | -339.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -906.71 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.92 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.02 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.40 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.854 | Crippen Calculated Property | |
| McVol | 190.710 | ml/mol | McGowan Calculated Property |
| Pc | 2141.36 | kPa | Joback Calculated Property |
| Inp | [1553.00; 1553.00] |
|
|
| Inp | 1553.00 | NIST | |
| Inp | 1553.00 | NIST | |
| Tboil | 529.52 | K | Relay (1.0) Calculated Property |
| Tc | 718.00 | K | Relay (1.0) Calculated Property |
| Tfus | 275.57 | K | Relay (1.0) Calculated Property |
| Vc | 0.718 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [519.38; 593.74] | J/mol×K | [653.39; 837.00] |
|
| Cp,gas | 519.38 | J/mol×K | 653.39 | Joback Calculated Property |
| Cp,gas | 533.47 | J/mol×K | 683.99 | Joback Calculated Property |
| Cp,gas | 546.88 | J/mol×K | 714.59 | Joback Calculated Property |
| Cp,gas | 559.61 | J/mol×K | 745.20 | Joback Calculated Property |
| Cp,gas | 571.67 | J/mol×K | 775.80 | Joback Calculated Property |
| Cp,gas | 583.04 | J/mol×K | 806.40 | Joback Calculated Property |
| Cp,gas | 593.74 | J/mol×K | 837.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to D-Alanine, N-ethoxycarbonyl-, pentyl ester.
Sources
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