- InChI
- InChI=1S/C19H29NO4/c1-5-6-12-23-18(21)17(13-15(2)3)20(4)19(22)24-14-16-10-8-7-9-11-16/h7-11,15,17H,5-6,12-14H2,1-4H3
- InChI Key
- MCKNSDLNKOPESH-UHFFFAOYSA-N
- Formula
- C19H29NO4
- SMILES
-
CCCCOC(=O)C(CC(C)C)N(C)C(=O)OC
c1ccccc1 - Molecular Weight1
- 335.44
- 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 | 0.8320 | Relay (1.0) Calculated Property | |
| ΔfG° | -140.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -742.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.72 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.55 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.78 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.013 | Crippen Calculated Property | |
| McVol | 279.670 | ml/mol | McGowan Calculated Property |
| Pc | 1473.62 | kPa | Joback Calculated Property |
| Inp | 2192.00 | NIST | |
| Tboil | 620.60 | K | Relay (1.0) Calculated Property |
| Tc | 825.57 | K | Relay (1.0) Calculated Property |
| Tfus | 264.24 | K | Relay (1.0) Calculated Property |
| Vc | 1.009 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [862.81; 943.80] | J/mol×K | [824.94; 1027.17] | 
|
| Cp,gas | 862.81 | J/mol×K | 824.94 | Joback Calculated Property |
| Cp,gas | 879.13 | J/mol×K | 858.65 | Joback Calculated Property |
| Cp,gas | 894.27 | J/mol×K | 892.35 | Joback Calculated Property |
| Cp,gas | 908.28 | J/mol×K | 926.06 | Joback Calculated Property |
| Cp,gas | 921.18 | J/mol×K | 959.76 | Joback Calculated Property |
| Cp,gas | 933.00 | J/mol×K | 993.47 | Joback Calculated Property |
| Cp,gas | 943.80 | J/mol×K | 1027.17 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to l-Leucine, N-benzyloxycarbonyl-N-methyl-, butyl ester.
Sources
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