- InChI
- InChI=1S/C13H18F7NO3S/c1-3-4-6-24-9(22)8(5-7-25-2)21-10(23)11(14,15)12(16,17)13(18,19)20/h8H,3-7H2,1-2H3,(H,21,23)
- InChI Key
- RAYWSDPQZFLTFJ-UHFFFAOYSA-N
- Formula
- C13H18F7NO3S
- SMILES
-
CCCCOC(=O)C(CCSC)NC(=O)C(F)(F)
C(F)(F)C(F)(F)F - Molecular Weight1
- 401.34
- 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° | -1539.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1977.99 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.69 | kJ/mol | Joback Calculated Property |
| log10WS | -4.38 | Crippen Calculated Property | |
| logPoct/wat | 3.401 | Crippen Calculated Property | |
| McVol | 241.760 | ml/mol | McGowan Calculated Property |
| Pc | 1505.81 | kPa | Joback Calculated Property |
| Inp | 1631.00 | NIST | |
| Tboil | 730.71 | K | Joback Calculated Property |
| Tc | 908.40 | K | Joback Calculated Property |
| Tfus | 441.81 | K | Joback Calculated Property |
| Vc | 0.970 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [719.16; 781.38] | J/mol×K | [730.71; 908.40] | 
|
| Cp,gas | 719.16 | J/mol×K | 730.71 | Joback Calculated Property |
| Cp,gas | 731.45 | J/mol×K | 760.32 | Joback Calculated Property |
| Cp,gas | 742.91 | J/mol×K | 789.94 | Joback Calculated Property |
| Cp,gas | 753.58 | J/mol×K | 819.55 | Joback Calculated Property |
| Cp,gas | 763.52 | J/mol×K | 849.17 | Joback Calculated Property |
| Cp,gas | 772.77 | J/mol×K | 878.78 | Joback Calculated Property |
| Cp,gas | 781.38 | J/mol×K | 908.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to l-Methionine, n-heptafluorobutyryl-, butyl ester.
Sources
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