- InChI
- InChI=1S/C11H21NO4/c1-4-7-9(10(13)16-8-5-2)12-11(14)15-6-3/h9H,4-8H2,1-3H3,(H,12,14)
- InChI Key
- XVBYPLJRSZCTCO-UHFFFAOYSA-N
- Formula
- C11H21NO4
- SMILES
- CCCOC(=O)C(CCC)NC(=O)OCC
- Molecular Weight1
- 231.29
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -898.72 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.02 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 1.854 | Crippen Calculated Property | |
| McVol | 190.710 | ml/mol | McGowan Calculated Property |
| Pc | 1987.66 | kPa | Joback Calculated Property |
| Inp | [1454.00; 1454.00] |
|
|
| Inp | 1454.00 | NIST | |
| Inp | 1454.00 | NIST | |
| Tboil | 536.17 | K | Relay (1.0) Calculated Property |
| Tc | 716.51 | K | Relay (1.0) Calculated Property |
| Tfus | 269.33 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [508.42; 584.74] | J/mol×K | [617.45; 796.35] |
|
| Cp,gas | 508.42 | J/mol×K | 617.45 | Joback Calculated Property |
| Cp,gas | 522.94 | J/mol×K | 647.27 | Joback Calculated Property |
| Cp,gas | 536.74 | J/mol×K | 677.08 | Joback Calculated Property |
| Cp,gas | 549.82 | J/mol×K | 706.90 | Joback Calculated Property |
| Cp,gas | 562.17 | J/mol×K | 736.71 | Joback Calculated Property |
| Cp,gas | 573.81 | J/mol×K | 766.53 | Joback Calculated Property |
| Cp,gas | 584.74 | J/mol×K | 796.35 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to l-Norvaline, N-ethoxycarbonyl-, propyl ester.
Sources
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