- InChI
- InChI=1S/C6H3Cl3O2S/c7-4-2-1-3-5(8)6(4)12(9,10)11/h1-3H
- InChI Key
- WGGKQIKICKLWGN-UHFFFAOYSA-N
- Formula
- C6H3Cl3O2S
- SMILES
- O=S(=O)(Cl)c1c(Cl)cccc1Cl
- Molecular Weight1
- 245.51
- CAS
- 6579-54-0
- 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 | 0.5034 | Relay (1.0) Calculated Property | |
| ΔfG° | -411.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -296.16 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.63 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.71 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.90 | 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 | 567.31 | K | Relay (1.0) Calculated Property |
| Tc | 838.05 | K | Relay (1.0) Calculated Property |
| Tfus | 326.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.463 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [166.84; 298.31] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 6.40400e+01 | |||
| Coefficient B | 4.29890e-01 | |||
| Coefficient C | -1.95320e-04 | |||
| Coefficient D | -3.00000e-10 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 166.84 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 191.67 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 213.94 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 233.66 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 250.83 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 265.44 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 277.50 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 286.99 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 293.93 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 298.31 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Dichlorobenzenesulfonyl chloride.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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