- InChI
- InChI=1S/C27H45NO4/c1-5-6-7-8-9-10-11-12-13-17-20-31-26(29)25(21-23(2)3)28(4)27(30)32-22-24-18-15-14-16-19-24/h14-16,18-19,23,25H,5-13,17,20-22H2,1-4H3
- InChI Key
- MKOLRNGGSWISLE-UHFFFAOYSA-N
- Formula
- C27H45NO4
- SMILES
-
CCCCCCCCCCCCOC(=O)C(CC(C)C)N(C
)C(=O)OCc1ccccc1 - Molecular Weight1
- 447.65
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -73.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -796.71 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 61.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.55 | kJ/mol | Joback Calculated Property |
| log10WS | -7.87 | Crippen Calculated Property | |
| logPoct/wat | 7.134 | Crippen Calculated Property | |
| McVol | 392.390 | ml/mol | McGowan Calculated Property |
| Pc | 878.96 | kPa | Joback Calculated Property |
| Inp | 3062.00 | NIST | |
| Tboil | 1007.98 | K | Joback Calculated Property |
| Tc | 1235.82 | K | Joback Calculated Property |
| Tfus | 567.26 | K | Joback Calculated Property |
| Vc | 1.494 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1351.89; 1436.59] | J/mol×K | [1007.98; 1235.82] | 
|
| Cp,gas | 1351.89 | J/mol×K | 1007.98 | Joback Calculated Property |
| Cp,gas | 1369.84 | J/mol×K | 1045.95 | Joback Calculated Property |
| Cp,gas | 1386.15 | J/mol×K | 1083.93 | Joback Calculated Property |
| Cp,gas | 1400.90 | J/mol×K | 1121.90 | Joback Calculated Property |
| Cp,gas | 1414.17 | J/mol×K | 1159.87 | Joback Calculated Property |
| Cp,gas | 1426.04 | J/mol×K | 1197.85 | Joback Calculated Property |
| Cp,gas | 1436.59 | J/mol×K | 1235.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to l-Leucine, N-benzyloxycarbonyl-N-methyl-, dodecyl ester.
Sources
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