- InChI
- InChI=1S/C7H4F4S/c8-5-1-3-6(4-2-5)12-7(9,10)11/h1-4H
- InChI Key
- BTKQCAUEXFTVNT-UHFFFAOYSA-N
- Formula
- C7H4F4S
- SMILES
- Fc1ccc(SC(F)(F)F)cc1
- Molecular Weight1
- 196.16
- CAS
- 940-76-1
- 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).
- 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° | -632.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -714.07 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 36.37 | kJ/mol | Joback Calculated Property |
| log10WS | -3.70 | Crippen Calculated Property | |
| logPoct/wat | 3.438 | Crippen Calculated Property | |
| McVol | 109.160 | ml/mol | McGowan Calculated Property |
| Pc | 3388.08 | kPa | Joback Calculated Property |
| Tboil | 453.85 | K | Joback Calculated Property |
| Tc | 659.12 | K | Joback Calculated Property |
| Tfus | 246.77 | K | Joback Calculated Property |
| Vc | 0.434 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [219.36; 271.06] | J/mol×K | [453.85; 659.12] | 
|
| Cp,gas | 219.36 | J/mol×K | 453.85 | Joback Calculated Property |
| Cp,gas | 229.71 | J/mol×K | 488.06 | Joback Calculated Property |
| Cp,gas | 239.31 | J/mol×K | 522.27 | Joback Calculated Property |
| Cp,gas | 248.22 | J/mol×K | 556.48 | Joback Calculated Property |
| Cp,gas | 256.46 | J/mol×K | 590.70 | Joback Calculated Property |
| Cp,gas | 264.06 | J/mol×K | 624.91 | Joback Calculated Property |
| Cp,gas | 271.06 | J/mol×K | 659.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Fluorophenyl trifluoromethyl sulphide.
Sources
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