- InChI
- InChI=1S/C22H43NO4/c1-6-8-9-10-11-12-13-14-15-17-26-21(24)20(18-19(3)4)23(5)22(25)27-16-7-2/h19-20H,6-18H2,1-5H3
- InChI Key
- JHBWKNZPVDVCFW-UHFFFAOYSA-N
- Formula
- C22H43NO4
- SMILES
-
CCCCCCCCCCCOC(=O)C(CC(C)C)N(C)
C(=O)OCCC - Molecular Weight1
- 385.58
- 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).
- 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 |
|---|---|---|---|
| ω | 1.0405 | Relay (1.0) Calculated Property | |
| ΔfG° | -227.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1070.09 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 54.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.99 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.86 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.45 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.954 | Crippen Calculated Property | |
| McVol | 345.700 | ml/mol | McGowan Calculated Property |
| Pc | 962.08 | kPa | Joback Calculated Property |
| Inp | 2398.00 | NIST | |
| Tboil | 627.57 | K | Relay (1.0) Calculated Property |
| Tc | 801.49 | K | Relay (1.0) Calculated Property |
| Tfus | 266.55 | K | Relay (1.0) Calculated Property |
| Vc | 1.297 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1137.05; 1234.66] | J/mol×K | [866.90; 1061.39] | 
|
| Cp,gas | 1137.05 | J/mol×K | 866.90 | Joback Calculated Property |
| Cp,gas | 1156.38 | J/mol×K | 899.32 | Joback Calculated Property |
| Cp,gas | 1174.44 | J/mol×K | 931.73 | Joback Calculated Property |
| Cp,gas | 1191.26 | J/mol×K | 964.15 | Joback Calculated Property |
| Cp,gas | 1206.88 | J/mol×K | 996.56 | Joback Calculated Property |
| Cp,gas | 1221.34 | J/mol×K | 1028.98 | Joback Calculated Property |
| Cp,gas | 1234.66 | J/mol×K | 1061.39 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to l-Leucine, N-methyl-n-propoxycarbonyl-, undecyl ester.
Sources
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