- InChI
- InChI=1S/C13H16FNO3S/c1-18-13(17)11(6-7-19-2)15-12(16)9-4-3-5-10(14)8-9/h3-5,8,11H,6-7H2,1-2H3,(H,15,16)
- InChI Key
- WCGMVBYCHGSBGK-UHFFFAOYSA-N
- Formula
- C13H16FNO3S
- SMILES
-
COC(=O)C(CCSC)NC(=O)c1cccc(F)c
1 - Molecular Weight1
- 285.33
- 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° | -276.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -550.02 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.42 | kJ/mol | Joback Calculated Property |
| log10WS | -3.10 | Crippen Calculated Property | |
| logPoct/wat | 1.850 | Crippen Calculated Property | |
| McVol | 207.380 | ml/mol | McGowan Calculated Property |
| Pc | 2384.19 | kPa | Joback Calculated Property |
| Inp | 2087.00 | NIST | |
| Tboil | 776.44 | K | Joback Calculated Property |
| Tc | 996.20 | K | Joback Calculated Property |
| Tfus | 469.95 | K | Joback Calculated Property |
| Vc | 0.786 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [574.82; 635.33] | J/mol×K | [776.44; 996.20] | 
|
| Cp,gas | 574.82 | J/mol×K | 776.44 | Joback Calculated Property |
| Cp,gas | 587.42 | J/mol×K | 813.07 | Joback Calculated Property |
| Cp,gas | 598.99 | J/mol×K | 849.69 | Joback Calculated Property |
| Cp,gas | 609.54 | J/mol×K | 886.32 | Joback Calculated Property |
| Cp,gas | 619.11 | J/mol×K | 922.95 | Joback Calculated Property |
| Cp,gas | 627.70 | J/mol×K | 959.57 | Joback Calculated Property |
| Cp,gas | 635.33 | J/mol×K | 996.20 | Joback Calculated Property |
Similar Compounds
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Sources
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