- InChI
- InChI=1S/C28H55NO4/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-32-27(30)26(22-6-2)29-28(31)33-24-25(3)4/h25-26H,5-24H2,1-4H3,(H,29,31)
- InChI Key
- HIYSYWYNYUODIU-UHFFFAOYSA-N
- Formula
- C28H55NO4
- SMILES
-
CCCCCCCCCCCCCCCCCCOC(=O)C(CCC)
NC(=O)OCC(C)C - Molecular Weight1
- 469.74
- 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).
- 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 | 1.3089 | Relay (... Calculated Property | |
| ΔfG° | -198.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1243.81 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 71.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 133.52 | kJ/mol | Relay (... Calculated Property |
| IE | 9.32 | eV | Relay (... Calculated Property |
| log10WS | -7.99 | Relay (... Calculated Property | |
| logPoct/wat | 8.342 | Crippen Calculated Property | |
| McVol | 430.240 | ml/mol | McGowan Calculated Property |
| Pc | 698.02 | kPa | Joback Calculated Property |
| Tboil | 665.84 | K | Relay (... Calculated Property |
| Tc | 863.05 | K | Relay (... Calculated Property |
| Tfus | 324.46 | K | Relay (... Calculated Property |
| Vc | 1.634 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1540.46; 1638.14] | J/mol×K | [1041.91; 1299.98] | 
|
| Cp,gas | 1540.46 | J/mol×K | 1041.91 | Joback Calculated Property |
| Cp,gas | 1562.26 | J/mol×K | 1084.92 | Joback Calculated Property |
| Cp,gas | 1581.72 | J/mol×K | 1127.93 | Joback Calculated Property |
| Cp,gas | 1598.94 | J/mol×K | 1170.95 | Joback Calculated Property |
| Cp,gas | 1614.02 | J/mol×K | 1213.96 | Joback Calculated Property |
| Cp,gas | 1627.06 | J/mol×K | 1256.97 | Joback Calculated Property |
| Cp,gas | 1638.14 | J/mol×K | 1299.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to l-Norvaline, N-isobutoxycarbonyl-, octadecyl ester.
Sources
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