- InChI
- InChI=1S/C9H7F3OS/c1-6(13)14-8-5-3-2-4-7(8)9(10,11)12/h2-5H,1H3
- InChI Key
- ASPOUDUPCPIORC-UHFFFAOYSA-N
- Formula
- C9H7F3OS
- SMILES
- CC(=O)Sc1ccccc1C(F)(F)F
- Molecular Weight1
- 220.21
- 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° | -549.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -671.82 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.38 | kJ/mol | Joback Calculated Property |
| log10WS | -3.51 | Crippen Calculated Property | |
| logPoct/wat | 3.344 | Crippen Calculated Property | |
| McVol | 137.140 | ml/mol | McGowan Calculated Property |
| Pc | 3079.57 | kPa | Joback Calculated Property |
| Inp | 1243.20 | NIST | |
| Tboil | 554.21 | K | Joback Calculated Property |
| Tc | 773.76 | K | Joback Calculated Property |
| Tfus | 318.65 | K | Joback Calculated Property |
| Vc | 0.534 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [309.27; 366.37] | J/mol×K | [554.21; 773.76] | 
|
| Cp,gas | 309.27 | J/mol×K | 554.21 | Joback Calculated Property |
| Cp,gas | 320.84 | J/mol×K | 590.80 | Joback Calculated Property |
| Cp,gas | 331.54 | J/mol×K | 627.39 | Joback Calculated Property |
| Cp,gas | 341.39 | J/mol×K | 663.99 | Joback Calculated Property |
| Cp,gas | 350.45 | J/mol×K | 700.58 | Joback Calculated Property |
| Cp,gas | 358.76 | J/mol×K | 737.17 | Joback Calculated Property |
| Cp,gas | 366.37 | J/mol×K | 773.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-(Trifluoromethyl)thiophenol, S-acetyl-.
Sources
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