- InChI
- InChI=1S/C7H5F3S/c8-7(9,10)5-2-1-3-6(11)4-5/h1-4,11H
- InChI Key
- SCURCOWZQJIUGR-UHFFFAOYSA-N
- Formula
- C7H5F3S
- SMILES
- FC(F)(F)c1cccc(S)c1
- Molecular Weight1
- 178.18
- CAS
- 937-00-8
- Other Names
-
- 3-Trifluoromethylthiophenol
- 3-Trifluoromethylbenzenethiol
- 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).
- 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 | 0.3298 | Relay (1.0) Calculated Property | |
| ΔfG° | -441.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -580.93 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.60 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.13 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.70 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.994 | Crippen Calculated Property | |
| McVol | 107.390 | ml/mol | McGowan Calculated Property |
| Pc | 3782.33 | kPa | Joback Calculated Property |
| Tboil | 445.59 | K | Relay (1.0) Calculated Property |
| Tc | 653.08 | K | Relay (1.0) Calculated Property |
| Tfus | 284.11 | K | Relay (1.0) Calculated Property |
| Vc | 0.364 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [209.59; 263.27] | J/mol×K | [448.66; 665.74] | 
|
| Cp,gas | 209.59 | J/mol×K | 448.66 | Joback Calculated Property |
| Cp,gas | 220.48 | J/mol×K | 484.84 | Joback Calculated Property |
| Cp,gas | 230.54 | J/mol×K | 521.02 | Joback Calculated Property |
| Cp,gas | 239.79 | J/mol×K | 557.20 | Joback Calculated Property |
| Cp,gas | 248.30 | J/mol×K | 593.38 | Joback Calculated Property |
| Cp,gas | 256.11 | J/mol×K | 629.56 | Joback Calculated Property |
| Cp,gas | 263.27 | J/mol×K | 665.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to m-Trifluoromethylthiophenol.
Sources
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