- InChI
- InChI=1S/C27H51NO4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-31-26(29)25(22-5-2)28-27(30)32-23-6-3/h6,25H,3-5,7-24H2,1-2H3,(H,28,30)
- InChI Key
- UFTVQVWZUHXYJP-UHFFFAOYSA-N
- Formula
- C27H51NO4
- SMILES
-
C=CCOC(=O)NC(CCC)C(=O)OCCCCCCC
CCCCCCCCCCC - Molecular Weight1
- 453.70
- 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 | 1.2636 | Relay (1.0) Calculated Property | |
| ΔfG° | -116.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1104.60 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 71.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 132.71 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.39 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.52 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.872 | Crippen Calculated Property | |
| McVol | 411.850 | ml/mol | McGowan Calculated Property |
| Pc | 748.56 | kPa | Joback Calculated Property |
| Tboil | 676.95 | K | Relay (1.0) Calculated Property |
| Tc | 868.10 | K | Relay (1.0) Calculated Property |
| Tfus | 320.40 | K | Relay (1.0) Calculated Property |
| Vc | 1.530 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1445.08; 1542.36] | J/mol×K | [1016.15; 1260.55] | 
|
| Cp,gas | 1445.08 | J/mol×K | 1016.15 | Joback Calculated Property |
| Cp,gas | 1465.94 | J/mol×K | 1056.88 | Joback Calculated Property |
| Cp,gas | 1484.84 | J/mol×K | 1097.62 | Joback Calculated Property |
| Cp,gas | 1501.84 | J/mol×K | 1138.35 | Joback Calculated Property |
| Cp,gas | 1517.04 | J/mol×K | 1179.09 | Joback Calculated Property |
| Cp,gas | 1530.51 | J/mol×K | 1219.82 | Joback Calculated Property |
| Cp,gas | 1542.36 | J/mol×K | 1260.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to l-Norvaline, N-allyloxycarbonyl-, octadecyl ester.
Sources
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