- InChI
- InChI=1S/C11H20ClNO3S/c1-16-11(15)9(6-8-17-2)13-10(14)5-3-4-7-12/h9H,3-8H2,1-2H3,(H,13,14)
- InChI Key
- IQLBEONWSITFOW-UHFFFAOYSA-N
- Formula
- C11H20ClNO3S
- SMILES
- COC(=O)C(CCSC)NC(=O)CCCCCl
- Molecular Weight1
- 281.80
- 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° | -212.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -553.43 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.23 | kJ/mol | Joback Calculated Property |
| log10WS | -2.40 | Crippen Calculated Property | |
| logPoct/wat | 1.806 | Crippen Calculated Property | |
| McVol | 213.430 | ml/mol | McGowan Calculated Property |
| Pc | 2135.43 | kPa | Joback Calculated Property |
| Inp | [2076.00; 2076.00] |
|
|
| Inp | 2076.00 | NIST | |
| Inp | 2076.00 | NIST | |
| Tboil | 737.18 | K | Joback Calculated Property |
| Tc | 939.71 | K | Joback Calculated Property |
| Tfus | 437.80 | K | Joback Calculated Property |
| Vc | 0.814 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [575.73; 641.67] | J/mol×K | [737.18; 939.71] |
|
| Cp,gas | 575.73 | J/mol×K | 737.18 | Joback Calculated Property |
| Cp,gas | 588.79 | J/mol×K | 770.93 | Joback Calculated Property |
| Cp,gas | 601.02 | J/mol×K | 804.69 | Joback Calculated Property |
| Cp,gas | 612.41 | J/mol×K | 838.44 | Joback Calculated Property |
| Cp,gas | 622.97 | J/mol×K | 872.20 | Joback Calculated Property |
| Cp,gas | 632.72 | J/mol×K | 905.95 | Joback Calculated Property |
| Cp,gas | 641.67 | J/mol×K | 939.71 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to l-Methionine, N-(5-chlorovaleryl)-, methyl ester.
Sources
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