- InChI
- InChI=1S/C6H4ClFS/c7-5-3-4(8)1-2-6(5)9/h1-3,9H
- InChI Key
- KUAPPJSILOMQPC-UHFFFAOYSA-N
- Formula
- C6H4ClFS
- SMILES
- Fc1ccc(S)c(Cl)c1
- Molecular Weight1
- 162.61
- CAS
- 175277-99-3
- 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 | 0.3373 | Relay (1.0) Calculated Property | |
| ΔfG° | -84.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -126.23 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.65 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.62 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.74 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.768 | Crippen Calculated Property | |
| McVol | 102.000 | ml/mol | McGowan Calculated Property |
| Pc | 4379.97 | kPa | Joback Calculated Property |
| Tboil | 462.17 | K | Relay (1.0) Calculated Property |
| Tc | 709.48 | K | Relay (1.0) Calculated Property |
| Tfus | 283.67 | K | Relay (1.0) Calculated Property |
| Vc | 0.355 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [173.49; 215.27] | J/mol×K | [472.88; 711.66] | 
|
| Cp,gas | 173.49 | J/mol×K | 472.88 | Joback Calculated Property |
| Cp,gas | 181.75 | J/mol×K | 512.68 | Joback Calculated Property |
| Cp,gas | 189.46 | J/mol×K | 552.47 | Joback Calculated Property |
| Cp,gas | 196.65 | J/mol×K | 592.27 | Joback Calculated Property |
| Cp,gas | 203.33 | J/mol×K | 632.07 | Joback Calculated Property |
| Cp,gas | 209.53 | J/mol×K | 671.87 | Joback Calculated Property |
| Cp,gas | 215.27 | J/mol×K | 711.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Chloro-4-fluorothiophenol.
Sources
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