- InChI
- InChI=1S/C6H3Cl3O2S/c7-4-1-5(8)3-6(2-4)12(9,10)11/h1-3H
- InChI Key
- RJSQINMKOSOUGT-UHFFFAOYSA-N
- Formula
- C6H3Cl3O2S
- SMILES
- O=S(=O)(Cl)c1cc(Cl)cc(Cl)c1
- Molecular Weight1
- 245.51
- CAS
- 705-21-5
- 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 | 0.5062 | Relay (1.0) Calculated Property | |
| ΔfG° | -411.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -305.10 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.17 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.88 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.20 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.921 | Crippen Calculated Property | |
| McVol | 136.450 | ml/mol | McGowan Calculated Property |
| Pc | 4762.81 | kPa | Joback Calculated Property |
| Tboil | 548.74 | K | Relay (1.0) Calculated Property |
| Tc | 825.42 | K | Relay (1.0) Calculated Property |
| Tfus | 380.91 | K | Relay (1.0) Calculated Property |
| Vc | 0.466 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [237.72; 278.19] | J/mol×K | [533.39; 762.90] | 
|
| Cp,gas | 237.72 | J/mol×K | 533.39 | Joback Calculated Property |
| Cp,gas | 245.90 | J/mol×K | 571.64 | Joback Calculated Property |
| Cp,gas | 253.51 | J/mol×K | 609.89 | Joback Calculated Property |
| Cp,gas | 260.54 | J/mol×K | 648.15 | Joback Calculated Property |
| Cp,gas | 267.00 | J/mol×K | 686.40 | Joback Calculated Property |
| Cp,gas | 272.88 | J/mol×K | 724.65 | Joback Calculated Property |
| Cp,gas | 278.19 | J/mol×K | 762.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,5-Dichlorobenzenesulfonyl chloride.
Sources
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