- InChI
- InChI=1S/C22H43NO4/c1-8-9-10-11-12-13-14-15-26-20(24)19(16-18(2)3)23(7)21(25)27-17-22(4,5)6/h18-19H,8-17H2,1-7H3
- InChI Key
- IPVIRECPSRVDAJ-UHFFFAOYSA-N
- Formula
- C22H43NO4
- SMILES
-
CCCCCCCCCOC(=O)C(CC(C)C)N(C)C(
=O)OCC(C)(C)C - 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 | 0.9874 | Relay (1.0) Calculated Property | |
| ΔfG° | -224.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1094.45 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.13 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.85 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.59 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.809 | Crippen Calculated Property | |
| McVol | 345.700 | ml/mol | McGowan Calculated Property |
| Pc | 973.52 | kPa | Joback Calculated Property |
| Inp | 2286.00 | NIST | |
| Tboil | 620.83 | K | Relay (1.0) Calculated Property |
| Tc | 797.63 | K | Relay (1.0) Calculated Property |
| Tfus | 291.29 | K | Relay (1.0) Calculated Property |
| Vc | 1.306 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1137.44; 1235.01] | J/mol×K | [863.67; 1058.45] | 
|
| Cp,gas | 1137.44 | J/mol×K | 863.67 | Joback Calculated Property |
| Cp,gas | 1156.61 | J/mol×K | 896.13 | Joback Calculated Property |
| Cp,gas | 1174.56 | J/mol×K | 928.60 | Joback Calculated Property |
| Cp,gas | 1191.32 | J/mol×K | 961.06 | Joback Calculated Property |
| Cp,gas | 1206.95 | J/mol×K | 993.52 | Joback Calculated Property |
| Cp,gas | 1221.50 | J/mol×K | 1025.99 | Joback Calculated Property |
| Cp,gas | 1235.01 | J/mol×K | 1058.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to l-Leucine, N-neopentyloxycarbonyl-N-methyl-, nonyl ester.
Sources
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