- InChI
- InChI=1S/C6H3Cl2FO2S/c7-5-3-4(12(8,10)11)1-2-6(5)9/h1-3H
- InChI Key
- DXFXNSNBZNELII-UHFFFAOYSA-N
- Formula
- C6H3Cl2FO2S
- SMILES
- O=S(=O)(Cl)c1ccc(F)c(Cl)c1
- Molecular Weight1
- 229.06
- CAS
- 91170-93-3
- 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 | 0.4872 | Relay (1.0) Calculated Property | |
| ΔfG° | -594.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -457.43 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.31 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.86 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.67 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.407 | Crippen Calculated Property | |
| McVol | 125.980 | ml/mol | McGowan Calculated Property |
| Pc | 4710.65 | kPa | Joback Calculated Property |
| Tboil | 525.58 | K | Relay (1.0) Calculated Property |
| Tc | 791.65 | K | Relay (1.0) Calculated Property |
| Tfus | 362.14 | K | Relay (1.0) Calculated Property |
| Vc | 0.437 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [225.24; 267.91] | J/mol×K | [495.23; 707.91] | 
|
| Cp,gas | 225.24 | J/mol×K | 495.23 | Joback Calculated Property |
| Cp,gas | 233.59 | J/mol×K | 530.68 | Joback Calculated Property |
| Cp,gas | 241.45 | J/mol×K | 566.12 | Joback Calculated Property |
| Cp,gas | 248.81 | J/mol×K | 601.57 | Joback Calculated Property |
| Cp,gas | 255.68 | J/mol×K | 637.02 | Joback Calculated Property |
| Cp,gas | 262.05 | J/mol×K | 672.46 | Joback Calculated Property |
| Cp,gas | 267.91 | J/mol×K | 707.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to C6H3Cl2FO2S.
Sources
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