- InChI
- InChI=1S/C27H53NO4/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-31-26(29)25(21-6-2)28-27(30)32-23-24(3)4/h24-25H,5-23H2,1-4H3,(H,28,30)
- InChI Key
- OGWXZHRXYRVPPS-UHFFFAOYSA-N
- Formula
- C27H53NO4
- SMILES
-
CCCCCCCCCCCCCCCCCOC(=O)C(CCC)N
C(=O)OCC(C)C - Molecular Weight1
- 455.71
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -206.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1047.30 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 69.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.67 | kJ/mol | Joback Calculated Property |
| log10WS | -8.89 | Crippen Calculated Property | |
| logPoct/wat | 7.952 | Crippen Calculated Property | |
| McVol | 416.150 | ml/mol | McGowan Calculated Property |
| Pc | 734.82 | kPa | Joback Calculated Property |
| Tboil | 1019.03 | K | Joback Calculated Property |
| Tc | 1264.62 | K | Joback Calculated Property |
| Tfus | 561.03 | K | Joback Calculated Property |
| Vc | 1.619 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1475.88; 1572.87] | J/mol×K | [1019.03; 1264.62] | 
|
| Cp,gas | 1475.88 | J/mol×K | 1019.03 | Joback Calculated Property |
| Cp,gas | 1497.06 | J/mol×K | 1059.96 | Joback Calculated Property |
| Cp,gas | 1516.13 | J/mol×K | 1100.89 | Joback Calculated Property |
| Cp,gas | 1533.17 | J/mol×K | 1141.82 | Joback Calculated Property |
| Cp,gas | 1548.25 | J/mol×K | 1182.75 | Joback Calculated Property |
| Cp,gas | 1561.46 | J/mol×K | 1223.68 | Joback Calculated Property |
| Cp,gas | 1572.87 | J/mol×K | 1264.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to l-Norvaline, N-isobutoxycarbonyl-, heptadecyl ester.
Sources
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