- InChI
- InChI=1S/C29H56ClNO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-34-28(32)27(25-26(2)3)31(4)29(33)35-24-21-22-30/h26-27H,5-25H2,1-4H3/t27-/m1/s1
- InChI Key
- LDMQPQRPSGMBSK-HHHXNRCGSA-N
- Formula
- C29H56ClNO4
- SMILES
-
CCCCCCCCCCCCCCCCCCOC(=O)C(CC(C
)C)N(C)C(=O)OCCCCl - Molecular Weight1
- 518.21
- 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° | -180.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1090.26 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 76.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.11 | kJ/mol | Joback Calculated Property |
| log10WS | -9.26 | Crippen Calculated Property | |
| logPoct/wat | 8.903 | Crippen Calculated Property | |
| McVol | 456.570 | ml/mol | McGowan Calculated Property |
| Pc | 646.48 | kPa | Joback Calculated Property |
| Inp | 3409.00 | NIST | |
| Tboil | 1064.49 | K | Joback Calculated Property |
| Tc | 1335.56 | K | Joback Calculated Property |
| Tfus | 593.30 | K | Joback Calculated Property |
| Vc | 1.762 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1614.22; 1714.37] | J/mol×K | [1064.49; 1335.56] | 
|
| Cp,gas | 1614.22 | J/mol×K | 1064.49 | Joback Calculated Property |
| Cp,gas | 1636.53 | J/mol×K | 1109.67 | Joback Calculated Property |
| Cp,gas | 1656.41 | J/mol×K | 1154.85 | Joback Calculated Property |
| Cp,gas | 1673.99 | J/mol×K | 1200.02 | Joback Calculated Property |
| Cp,gas | 1689.42 | J/mol×K | 1245.20 | Joback Calculated Property |
| Cp,gas | 1702.83 | J/mol×K | 1290.38 | Joback Calculated Property |
| Cp,gas | 1714.37 | J/mol×K | 1335.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to L-Leucine, N-methyl-N-(3-chloropropoxycarbonyl)-, octadecyl ester.
Sources
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