- InChI
- InChI=1S/C6H2F4S/c7-2-1-3(8)5(10)6(11)4(2)9/h1,11H
- InChI Key
- IGOGJHYWSOZGAE-UHFFFAOYSA-N
- Formula
- C6H2F4S
- SMILES
- Fc1cc(F)c(F)c(S)c1F
- Molecular Weight1
- 182.14
- CAS
- 769-40-4
- Other Names
-
- Benzenethiol, 2,3,5,6-tetrafluoro-
- 2,3,5,6-tetrafluorobenzenethiol
- 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° | -676.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -722.48 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.34 | kJ/mol | Joback Calculated Property |
| log10WS | -3.31 | Crippen Calculated Property | |
| logPoct/wat | 2.532 | Crippen Calculated Property | |
| McVol | 95.070 | ml/mol | McGowan Calculated Property |
| Pc | 3722.56 | kPa | Joback Calculated Property |
| Tboil | 425.70 | K | NIST |
| Tc | 641.82 | K | Joback Calculated Property |
| Tfus | 272.70 | K | Joback Calculated Property |
| Vc | 0.390 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [177.91; 213.12] | J/mol×K | [443.22; 641.82] | 
|
| Cp,gas | 177.91 | J/mol×K | 443.22 | Joback Calculated Property |
| Cp,gas | 184.50 | J/mol×K | 476.32 | Joback Calculated Property |
| Cp,gas | 190.79 | J/mol×K | 509.42 | Joback Calculated Property |
| Cp,gas | 196.80 | J/mol×K | 542.52 | Joback Calculated Property |
| Cp,gas | 202.52 | J/mol×K | 575.62 | Joback Calculated Property |
| Cp,gas | 207.96 | J/mol×K | 608.72 | Joback Calculated Property |
| Cp,gas | 213.12 | J/mol×K | 641.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,3,5,6-Tetrafluorothiophenol.
Sources
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