- InChI
- InChI=1S/C7H6Cl2O2S/c1-5-6(8)3-2-4-7(5)12(9,10)11/h2-4H,1H3
- InChI Key
- ZSIYKAQPQRTBPF-UHFFFAOYSA-N
- Formula
- C7H6Cl2O2S
- SMILES
- Cc1c(Cl)cccc1S(=O)(=O)Cl
- Molecular Weight1
- 225.09
- CAS
- 80563-86-6
- 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 | 0.4894 | Relay (1.0) Calculated Property | |
| ΔfG° | -391.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -317.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.92 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.52 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.85 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.576 | Crippen Calculated Property | |
| McVol | 138.300 | ml/mol | McGowan Calculated Property |
| Pc | 4397.41 | kPa | Joback Calculated Property |
| Tboil | 554.92 | K | Relay (1.0) Calculated Property |
| Tc | 820.59 | K | Relay (1.0) Calculated Property |
| Tfus | 364.14 | K | Relay (1.0) Calculated Property |
| Vc | 0.474 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [257.69; 309.03] | J/mol×K | [518.84; 739.50] | 
|
| Cp,gas | 257.69 | J/mol×K | 518.84 | Joback Calculated Property |
| Cp,gas | 267.76 | J/mol×K | 555.62 | Joback Calculated Property |
| Cp,gas | 277.23 | J/mol×K | 592.39 | Joback Calculated Property |
| Cp,gas | 286.09 | J/mol×K | 629.17 | Joback Calculated Property |
| Cp,gas | 294.34 | J/mol×K | 665.94 | Joback Calculated Property |
| Cp,gas | 301.99 | J/mol×K | 702.72 | Joback Calculated Property |
| Cp,gas | 309.03 | J/mol×K | 739.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Chloro-2-Methylbenzenesulphonyl chloride.
Sources
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