- InChI
- InChI=1S/C21H39NO4/c1-8-11-25-20(23)18(12-14(2)3)22(7)21(24)26-19-13-16(6)9-10-17(19)15(4)5/h14-19H,8-13H2,1-7H3
- InChI Key
- MMYCCPWRFSFDGJ-UHFFFAOYSA-N
- Formula
- C21H39NO4
- SMILES
-
CCCOC(=O)C(CC(C)C)N(C)C(=O)OC1
CC(C)CCC1C(C)C - Molecular Weight1
- 369.54
- 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 | 0.7862 | Relay (1.0) Calculated Property | |
| ΔfG° | -229.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1018.60 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.46 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.58 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.72 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.884 | Crippen Calculated Property | |
| McVol | 320.750 | ml/mol | McGowan Calculated Property |
| Pc | 1125.32 | kPa | Joback Calculated Property |
| Inp | [2185.00; 2185.00] |
|
|
| Inp | 2185.00 | NIST | |
| Inp | 2185.00 | NIST | |
| Tboil | 624.88 | K | Relay (1.0) Calculated Property |
| Tc | 816.66 | K | Relay (1.0) Calculated Property |
| Tfus | 267.70 | K | Relay (1.0) Calculated Property |
| Vc | 1.141 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1079.53; 1177.05] | J/mol×K | [853.79; 1054.56] |
|
| Cp,gas | 1079.53 | J/mol×K | 853.79 | Joback Calculated Property |
| Cp,gas | 1099.54 | J/mol×K | 887.25 | Joback Calculated Property |
| Cp,gas | 1118.02 | J/mol×K | 920.71 | Joback Calculated Property |
| Cp,gas | 1134.99 | J/mol×K | 954.18 | Joback Calculated Property |
| Cp,gas | 1150.47 | J/mol×K | 987.64 | Joback Calculated Property |
| Cp,gas | 1164.48 | J/mol×K | 1021.10 | Joback Calculated Property |
| Cp,gas | 1177.05 | J/mol×K | 1054.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to L-Leucine, N-methyl-N-((1R)-(-)-menthyloxycarbonyl)-, propyl ester.
Sources
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