- InChI
- InChI=1S/C31H61NO4/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-35-29(33)28(25-27(2)3)32(7)30(34)36-26-31(4,5)6/h27-28H,8-26H2,1-7H3
- InChI Key
- FVRVHXRXWMENTN-UHFFFAOYSA-N
- Formula
- C31H61NO4
- SMILES
-
CCCCCCCCCCCCCCCCCCOC(=O)C(CC(C
)C)N(C)C(=O)OCC(C)(C)C - Molecular Weight1
- 511.82
- 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).
- 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 | 1.3063 | Relay (1.0) Calculated Property | |
| ΔfG° | -148.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1272.96 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 70.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 135.09 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.16 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.43 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.320 | Crippen Calculated Property | |
| McVol | 472.510 | ml/mol | McGowan Calculated Property |
| Pc | 603.98 | kPa | Joback Calculated Property |
| Tboil | 683.28 | K | Relay (1.0) Calculated Property |
| Tc | 867.23 | K | Relay (1.0) Calculated Property |
| Tfus | 316.90 | K | Relay (1.0) Calculated Property |
| Vc | 1.800 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1716.67; 1832.47] | J/mol×K | [1069.59; 1342.29] | 
|
| Cp,gas | 1716.67 | J/mol×K | 1069.59 | Joback Calculated Property |
| Cp,gas | 1741.14 | J/mol×K | 1115.04 | Joback Calculated Property |
| Cp,gas | 1763.29 | J/mol×K | 1160.49 | Joback Calculated Property |
| Cp,gas | 1783.31 | J/mol×K | 1205.94 | Joback Calculated Property |
| Cp,gas | 1801.38 | J/mol×K | 1251.39 | Joback Calculated Property |
| Cp,gas | 1817.70 | J/mol×K | 1296.84 | Joback Calculated Property |
| Cp,gas | 1832.47 | J/mol×K | 1342.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to l-Leucine, N-neopentyloxycarbonyl-N-methyl-, octadecyl ester.
Sources
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