- InChI
- InChI=1S/C28H55NO4/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-32-27(30)26(23-6-3)29-28(31)33-24-8-5-2/h26H,4-25H2,1-3H3,(H,29,31)
- InChI Key
- XWXWNUJKLZFDGT-UHFFFAOYSA-N
- Formula
- C28H55NO4
- SMILES
-
CCCCCCCCCCCCCCCCCCOC(=O)C(CCC)
NC(=O)OCCCC - 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 | 1.3359 | Relay (... Calculated Property | |
| ΔfG° | -196.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1228.96 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 75.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 137.08 | kJ/mol | Relay (... Calculated Property |
| IE | 9.30 | eV | Relay (... Calculated Property |
| log10WS | -7.92 | Relay (... Calculated Property | |
| logPoct/wat | 8.486 | Crippen Calculated Property | |
| McVol | 430.240 | ml/mol | McGowan Calculated Property |
| Pc | 695.08 | kPa | Joback Calculated Property |
| Tboil | 662.35 | K | Relay (... Calculated Property |
| Tc | 865.54 | K | Relay (... Calculated Property |
| Tfus | 324.86 | K | Relay (... Calculated Property |
| Vc | 1.639 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1540.25; 1639.49] | J/mol×K | [1042.35; 1303.56] | 
|
| Cp,gas | 1540.25 | J/mol×K | 1042.35 | Joback Calculated Property |
| Cp,gas | 1562.39 | J/mol×K | 1085.88 | Joback Calculated Property |
| Cp,gas | 1582.15 | J/mol×K | 1129.42 | Joback Calculated Property |
| Cp,gas | 1599.64 | J/mol×K | 1172.95 | Joback Calculated Property |
| Cp,gas | 1614.96 | J/mol×K | 1216.49 | Joback Calculated Property |
| Cp,gas | 1628.21 | J/mol×K | 1260.02 | Joback Calculated Property |
| Cp,gas | 1639.49 | J/mol×K | 1303.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to l-Norvaline, n-butoxycarbonyl-, octadecyl ester.
Sources
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