- InChI
- InChI=1S/C11H14F7NO3S/c1-3-22-7(20)6(4-5-23-2)19-8(21)9(12,13)10(14,15)11(16,17)18/h6H,3-5H2,1-2H3,(H,19,21)
- InChI Key
- YACKYESRXIZBCN-UHFFFAOYSA-N
- Formula
- C11H14F7NO3S
- SMILES
-
CCOC(=O)C(CCSC)NC(=O)C(F)(F)C(
F)(F)C(F)(F)F - Molecular Weight1
- 373.29
- 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 | 0.6351 | Relay (1.0) Calculated Property | |
| ΔfG° | -1556.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2107.27 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.41 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.75 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.620 | Crippen Calculated Property | |
| McVol | 213.580 | ml/mol | McGowan Calculated Property |
| Pc | 1758.02 | kPa | Joback Calculated Property |
| Inp | 1471.00 | NIST | |
| Tboil | 519.97 | K | Relay (1.0) Calculated Property |
| Tc | 665.57 | K | Relay (1.0) Calculated Property |
| Tfus | 305.56 | K | Relay (1.0) Calculated Property |
| Vc | 0.749 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [613.50; 671.26] | J/mol×K | [684.95; 862.07] | 
|
| Cp,gas | 613.50 | J/mol×K | 684.95 | Joback Calculated Property |
| Cp,gas | 624.98 | J/mol×K | 714.47 | Joback Calculated Property |
| Cp,gas | 635.66 | J/mol×K | 743.99 | Joback Calculated Property |
| Cp,gas | 645.59 | J/mol×K | 773.51 | Joback Calculated Property |
| Cp,gas | 654.80 | J/mol×K | 803.03 | Joback Calculated Property |
| Cp,gas | 663.34 | J/mol×K | 832.55 | Joback Calculated Property |
| Cp,gas | 671.26 | J/mol×K | 862.07 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to l-Methionine, n-heptafluorobutyryl-, ethyl ester.
Sources
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