- InChI
- InChI=1S/C14H27NO4/c1-7-18-14(17)15(6)12(8-10(2)3)13(16)19-9-11(4)5/h10-12H,7-9H2,1-6H3
- InChI Key
- IEBCWZJJTRIGJR-UHFFFAOYSA-N
- Formula
- C14H27NO4
- SMILES
-
CCOC(=O)N(C)C(CC(C)C)C(=O)OCC(
C)C - Molecular Weight1
- 273.37
- 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).
- IE : Ionization energy (eV).
- 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 | -937.28 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.28 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.74 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.689 | Crippen Calculated Property | |
| McVol | 232.980 | ml/mol | McGowan Calculated Property |
| Pc | 1562.28 | kPa | Joback Calculated Property |
| Inp | 1614.00 | NIST | |
| Tboil | 560.91 | K | Relay (1.0) Calculated Property |
| Tc | 723.29 | K | Relay (1.0) Calculated Property |
| Tfus | 248.74 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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 | [649.36; 738.87] | J/mol×K | [647.48; 825.02] | 
|
| Cp,gas | 649.36 | J/mol×K | 647.48 | Joback Calculated Property |
| Cp,gas | 666.49 | J/mol×K | 677.07 | Joback Calculated Property |
| Cp,gas | 682.72 | J/mol×K | 706.66 | Joback Calculated Property |
| Cp,gas | 698.06 | J/mol×K | 736.25 | Joback Calculated Property |
| Cp,gas | 712.52 | J/mol×K | 765.84 | Joback Calculated Property |
| Cp,gas | 726.12 | J/mol×K | 795.43 | Joback Calculated Property |
| Cp,gas | 738.87 | J/mol×K | 825.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to L-Leucine, N-ethoxycarbonyl-N-methyl-, isobutyl ester.
Sources
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