- InChI
- InChI=1S/C12H23NO3/c1-8(2)7-9(10(14)16-6)13-11(15)12(3,4)5/h8-9H,7H2,1-6H3,(H,13,15)
- InChI Key
- MCDZFMUYBNTHSQ-UHFFFAOYSA-N
- Formula
- C12H23NO3
- SMILES
- COC(=O)C(CC(C)C)NC(=O)C(C)(C)C
- Molecular Weight1
- 229.32
- 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° | -225.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -614.23 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.57 | kJ/mol | Joback Calculated Property |
| log10WS | -2.30 | Crippen Calculated Property | |
| logPoct/wat | 1.736 | Crippen Calculated Property | |
| McVol | 198.930 | ml/mol | McGowan Calculated Property |
| Pc | 2041.91 | kPa | Joback Calculated Property |
| Inp | 1405.00 | NIST | |
| Tboil | 650.18 | K | Joback Calculated Property |
| Tc | 844.80 | K | Joback Calculated Property |
| Tfus | 372.17 | K | Joback Calculated Property |
| Vc | 0.750 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [547.88; 629.07] | J/mol×K | [650.18; 844.80] | 
|
| Cp,gas | 547.88 | J/mol×K | 650.18 | Joback Calculated Property |
| Cp,gas | 563.53 | J/mol×K | 682.62 | Joback Calculated Property |
| Cp,gas | 578.29 | J/mol×K | 715.05 | Joback Calculated Property |
| Cp,gas | 592.20 | J/mol×K | 747.49 | Joback Calculated Property |
| Cp,gas | 605.28 | J/mol×K | 779.92 | Joback Calculated Property |
| Cp,gas | 617.56 | J/mol×K | 812.36 | Joback Calculated Property |
| Cp,gas | 629.07 | J/mol×K | 844.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to l-Leucine, N-pivaloyl-, methyl ester.
Sources
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