- InChI
- InChI=1S/C16H31NO4/c1-5-7-8-9-11-20-15(18)14(10-6-2)17-16(19)21-12-13(3)4/h13-14H,5-12H2,1-4H3,(H,17,19)
- InChI Key
- IJEDHWMSVXPCDZ-UHFFFAOYSA-N
- Formula
- C16H31NO4
- SMILES
-
CCCCCCOC(=O)C(CCC)NC(=O)OCC(C)
C - Molecular Weight1
- 301.42
- 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 | 0.8848 | Relay (... Calculated Property | |
| ΔfG° | -299.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1006.13 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 40.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.91 | kJ/mol | Relay (... Calculated Property |
| IE | 8.99 | eV | Relay (... Calculated Property |
| log10WS | -4.15 | Relay (... Calculated Property | |
| logPoct/wat | 3.661 | Crippen Calculated Property | |
| McVol | 261.160 | ml/mol | McGowan Calculated Property |
| Pc | 1442.44 | kPa | Joback Calculated Property |
| Inp | 1781.00 | NIST | |
| Tboil | 580.62 | K | Relay (... Calculated Property |
| Tc | 763.84 | K | Relay (... Calculated Property |
| Tfus | 278.85 | K | Relay (... Calculated Property |
| Vc | 0.973 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [795.83; 880.90] | J/mol×K | [767.35; 951.81] | 
|
| Cp,gas | 795.83 | J/mol×K | 767.35 | Joback Calculated Property |
| Cp,gas | 812.32 | J/mol×K | 798.09 | Joback Calculated Property |
| Cp,gas | 827.87 | J/mol×K | 828.84 | Joback Calculated Property |
| Cp,gas | 842.49 | J/mol×K | 859.58 | Joback Calculated Property |
| Cp,gas | 856.20 | J/mol×K | 890.33 | Joback Calculated Property |
| Cp,gas | 869.00 | J/mol×K | 921.07 | Joback Calculated Property |
| Cp,gas | 880.90 | J/mol×K | 951.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to l-Norvaline, N-isobutoxycarbonyl-, hexyl ester.
Sources
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