- InChI
- InChI=1S/C21H41NO4/c1-8-9-10-11-12-13-14-25-19(23)18(15-17(2)3)22(7)20(24)26-16-21(4,5)6/h17-18H,8-16H2,1-7H3
- InChI Key
- XSZOBVQLLWXEKA-UHFFFAOYSA-N
- Formula
- C21H41NO4
- SMILES
-
CCCCCCCCOC(=O)C(CC(C)C)N(C)C(=
O)OCC(C)(C)C - Molecular Weight1
- 371.55
- 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 | 0.9513 | Relay (1.0) Calculated Property | |
| ΔfG° | -233.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1074.22 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 44.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.00 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.82 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.26 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.419 | Crippen Calculated Property | |
| McVol | 331.610 | ml/mol | McGowan Calculated Property |
| Pc | 1034.57 | kPa | Joback Calculated Property |
| Inp | 2186.00 | NIST | |
| Tboil | 613.17 | K | Relay (1.0) Calculated Property |
| Tc | 788.64 | K | Relay (1.0) Calculated Property |
| Tfus | 287.93 | K | Relay (1.0) Calculated Property |
| Vc | 1.250 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1075.58; 1171.90] | J/mol×K | [840.79; 1032.24] | 
|
| Cp,gas | 1075.58 | J/mol×K | 840.79 | Joback Calculated Property |
| Cp,gas | 1094.42 | J/mol×K | 872.70 | Joback Calculated Property |
| Cp,gas | 1112.09 | J/mol×K | 904.61 | Joback Calculated Property |
| Cp,gas | 1128.63 | J/mol×K | 936.51 | Joback Calculated Property |
| Cp,gas | 1144.08 | J/mol×K | 968.42 | Joback Calculated Property |
| Cp,gas | 1158.49 | J/mol×K | 1000.33 | Joback Calculated Property |
| Cp,gas | 1171.90 | J/mol×K | 1032.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to l-Leucine, N-neopentyloxycarbonyl-N-methyl-, octyl ester.
Sources
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