- InChI
- InChI=1S/C19H37NO4/c1-8-9-10-11-12-23-17(21)16(13-15(2)3)20(7)18(22)24-14-19(4,5)6/h15-16H,8-14H2,1-7H3
- InChI Key
- RIJMSNAZBLHAIO-UHFFFAOYSA-N
- Formula
- C19H37NO4
- SMILES
-
CCCCCCOC(=O)C(CC(C)C)N(C)C(=O)
OCC(C)(C)C - Molecular Weight1
- 343.50
- 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 | 0.8774 | Relay (1.0) Calculated Property | |
| ΔfG° | -250.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1035.11 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.26 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.81 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.57 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.639 | Crippen Calculated Property | |
| McVol | 303.430 | ml/mol | McGowan Calculated Property |
| Pc | 1175.24 | kPa | Joback Calculated Property |
| Inp | 2006.00 | NIST | |
| Tboil | 597.16 | K | Relay (1.0) Calculated Property |
| Tc | 769.61 | K | Relay (1.0) Calculated Property |
| Tfus | 281.06 | K | Relay (1.0) Calculated Property |
| Vc | 1.139 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [953.99; 1048.01] | J/mol×K | [795.03; 982.13] | 
|
| Cp,gas | 953.99 | J/mol×K | 795.03 | Joback Calculated Property |
| Cp,gas | 972.25 | J/mol×K | 826.21 | Joback Calculated Property |
| Cp,gas | 989.43 | J/mol×K | 857.40 | Joback Calculated Property |
| Cp,gas | 1005.55 | J/mol×K | 888.58 | Joback Calculated Property |
| Cp,gas | 1020.67 | J/mol×K | 919.76 | Joback Calculated Property |
| Cp,gas | 1034.81 | J/mol×K | 950.95 | Joback Calculated Property |
| Cp,gas | 1048.01 | J/mol×K | 982.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to l-Leucine, N-neopentyloxycarbonyl-N-methyl-, hexyl ester.
Sources
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