- InChI
- InChI=1S/C7H5ClFNS/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,(H2,10,11)
- InChI Key
- RSGPCKCTKDCMRR-UHFFFAOYSA-N
- Formula
- C7H5ClFNS
- SMILES
- NC(=S)c1ccc(F)c(Cl)c1
- Molecular Weight1
- 189.64
- CAS
- 130560-97-3
- 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° | 77.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -5.78 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.71 | kJ/mol | Joback Calculated Property |
| log10WS | -3.26 | Crippen Calculated Property | |
| logPoct/wat | 2.113 | Crippen Calculated Property | |
| McVol | 121.770 | ml/mol | McGowan Calculated Property |
| Pc | 4316.89 | kPa | Joback Calculated Property |
| Tboil | 575.47 | K | Joback Calculated Property |
| Tc | 825.12 | K | Joback Calculated Property |
| Tfus | 368.15 | K | Joback Calculated Property |
| Vc | 0.452 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [241.77; 282.20] | J/mol×K | [575.47; 825.12] | 
|
| Cp,gas | 241.77 | J/mol×K | 575.47 | Joback Calculated Property |
| Cp,gas | 250.09 | J/mol×K | 617.08 | Joback Calculated Property |
| Cp,gas | 257.68 | J/mol×K | 658.69 | Joback Calculated Property |
| Cp,gas | 264.60 | J/mol×K | 700.30 | Joback Calculated Property |
| Cp,gas | 270.95 | J/mol×K | 741.90 | Joback Calculated Property |
| Cp,gas | 276.79 | J/mol×K | 783.51 | Joback Calculated Property |
| Cp,gas | 282.20 | J/mol×K | 825.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Chloro-4-fluorothiobenzamide.
Sources
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