- InChI
- InChI=1S/C15H21NO4/c1-10(2)8-13(15(18)20-4)16-14(17)11-6-5-7-12(9-11)19-3/h5-7,9-10,13H,8H2,1-4H3,(H,16,17)
- InChI Key
- SKJJXKHVIBIVQA-UHFFFAOYSA-N
- Formula
- C15H21NO4
- SMILES
-
COC(=O)C(CC(C)C)NC(=O)c1cccc(O
C)c1 - Molecular Weight1
- 279.33
- Other Names
-
- L-Lencine, N-(m-anisoyl)-, methyl ester
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -205.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -574.56 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.89 | kJ/mol | Joback Calculated Property |
| log10WS | -3.18 | Crippen Calculated Property | |
| logPoct/wat | 2.013 | Crippen Calculated Property | |
| McVol | 223.310 | ml/mol | McGowan Calculated Property |
| Pc | 2027.23 | kPa | Joback Calculated Property |
| Inp | 2085.00 | NIST | |
| Tboil | 776.13 | K | Joback Calculated Property |
| Tc | 986.73 | K | Joback Calculated Property |
| Tfus | 464.73 | K | Joback Calculated Property |
| Vc | 0.839 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [649.86; 721.36] | J/mol×K | [776.13; 986.73] | 
|
| Cp,gas | 649.86 | J/mol×K | 776.13 | Joback Calculated Property |
| Cp,gas | 664.39 | J/mol×K | 811.23 | Joback Calculated Property |
| Cp,gas | 677.86 | J/mol×K | 846.33 | Joback Calculated Property |
| Cp,gas | 690.27 | J/mol×K | 881.43 | Joback Calculated Property |
| Cp,gas | 701.65 | J/mol×K | 916.53 | Joback Calculated Property |
| Cp,gas | 712.01 | J/mol×K | 951.63 | Joback Calculated Property |
| Cp,gas | 721.36 | J/mol×K | 986.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to L-Leucine, N-(m-anisoyl)-, methyl ester.
Sources
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