- InChI
- InChI=1S/C14H22F5NO3S/c1-3-4-5-6-8-23-11(21)10(7-9-24-2)20-12(22)13(15,16)14(17,18)19/h10H,3-9H2,1-2H3,(H,20,22)
- InChI Key
- WZLUIWQFKXPIIW-UHFFFAOYSA-N
- Formula
- C14H22F5NO3S
- SMILES
-
CCCCCCOC(=O)C(CCSC)NC(=O)C(F)(
F)C(F)(F)F - Molecular Weight1
- 379.39
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.7561 | Relay (1.0) Calculated Property | |
| ΔfG° | -1144.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1777.63 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.48 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.22 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.33 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.545 | Crippen Calculated Property | |
| McVol | 252.310 | ml/mol | McGowan Calculated Property |
| Pc | 1477.02 | kPa | Joback Calculated Property |
| Inp | 1796.00 | NIST | |
| Tboil | 558.20 | K | Relay (1.0) Calculated Property |
| Tc | 705.27 | K | Relay (1.0) Calculated Property |
| Tfus | 319.20 | K | Relay (1.0) Calculated Property |
| Vc | 0.889 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [756.08; 823.87] | J/mol×K | [758.28; 940.44] | 
|
| Cp,gas | 756.08 | J/mol×K | 758.28 | Joback Calculated Property |
| Cp,gas | 769.40 | J/mol×K | 788.64 | Joback Calculated Property |
| Cp,gas | 781.85 | J/mol×K | 819.00 | Joback Calculated Property |
| Cp,gas | 793.49 | J/mol×K | 849.36 | Joback Calculated Property |
| Cp,gas | 804.34 | J/mol×K | 879.72 | Joback Calculated Property |
| Cp,gas | 814.46 | J/mol×K | 910.08 | Joback Calculated Property |
| Cp,gas | 823.87 | J/mol×K | 940.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to l-Methionine, n-pentafluoropropionyl-, hexyl ester.
Sources
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