- InChI
- InChI=1S/C12H23NO3S/c1-4-5-6-7-11(14)13-10(8-9-17-3)12(15)16-2/h10H,4-9H2,1-3H3,(H,13,14)
- InChI Key
- FFRRQECVACLCBP-UHFFFAOYSA-N
- Formula
- C12H23NO3S
- SMILES
- CCCCCC(=O)NC(CCSC)C(=O)OC
- Molecular Weight1
- 261.38
- 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° | -192.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -558.33 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.07 | kJ/mol | Joback Calculated Property |
| log10WS | -2.67 | Crippen Calculated Property | |
| logPoct/wat | 1.978 | Crippen Calculated Property | |
| McVol | 215.280 | ml/mol | McGowan Calculated Property |
| Pc | 2023.58 | kPa | Joback Calculated Property |
| Inp | 1902.00 | NIST | |
| Tboil | 722.63 | K | Joback Calculated Property |
| Tc | 919.66 | K | Joback Calculated Property |
| Tfus | 419.15 | K | Joback Calculated Property |
| Vc | 0.821 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [603.12; 677.28] | J/mol×K | [722.63; 919.66] | 
|
| Cp,gas | 603.12 | J/mol×K | 722.63 | Joback Calculated Property |
| Cp,gas | 617.61 | J/mol×K | 755.47 | Joback Calculated Property |
| Cp,gas | 631.23 | J/mol×K | 788.31 | Joback Calculated Property |
| Cp,gas | 644.00 | J/mol×K | 821.14 | Joback Calculated Property |
| Cp,gas | 655.92 | J/mol×K | 853.98 | Joback Calculated Property |
| Cp,gas | 667.02 | J/mol×K | 886.82 | Joback Calculated Property |
| Cp,gas | 677.28 | J/mol×K | 919.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to l-Methionine, N-caproyl-, methyl ester.
Sources
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