- InChI
- InChI=1S/C22H41NO4/c1-8-9-12-26-21(24)19(13-15(2)3)23(7)22(25)27-20-14-17(6)10-11-18(20)16(4)5/h15-20H,8-14H2,1-7H3
- InChI Key
- QCTCFLPEINRDCV-UHFFFAOYSA-N
- Formula
- C22H41NO4
- SMILES
-
CCCCOC(=O)C(CC(C)C)N(C)C(=O)OC
1CC(C)CCC1C(C)C - Molecular Weight1
- 383.57
- 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 | 0.8251 | Relay (1.0) Calculated Property | |
| ΔfG° | -220.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1039.96 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 44.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.76 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.57 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.98 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.274 | Crippen Calculated Property | |
| McVol | 334.840 | ml/mol | McGowan Calculated Property |
| Pc | 1056.20 | kPa | Joback Calculated Property |
| Inp | [2277.00; 2277.00] |
|
|
| Inp | 2277.00 | NIST | |
| Inp | 2277.00 | NIST | |
| Tboil | 631.25 | K | Relay (1.0) Calculated Property |
| Tc | 826.47 | K | Relay (1.0) Calculated Property |
| Tfus | 263.45 | K | Relay (1.0) Calculated Property |
| Vc | 1.195 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1141.96; 1238.55] | J/mol×K | [876.67; 1079.03] |
|
| Cp,gas | 1141.96 | J/mol×K | 876.67 | Joback Calculated Property |
| Cp,gas | 1161.95 | J/mol×K | 910.40 | Joback Calculated Property |
| Cp,gas | 1180.35 | J/mol×K | 944.12 | Joback Calculated Property |
| Cp,gas | 1197.19 | J/mol×K | 977.85 | Joback Calculated Property |
| Cp,gas | 1212.48 | J/mol×K | 1011.57 | Joback Calculated Property |
| Cp,gas | 1226.26 | J/mol×K | 1045.30 | Joback Calculated Property |
| Cp,gas | 1238.55 | J/mol×K | 1079.03 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to L-Leucine, N-methyl-N-((1R)-(-)-menthyloxycarbonyl)-, butyl ester.
Sources
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