- InChI
- InChI=1S/C6H4BrClO2S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H
- InChI Key
- PJGOLCXVWIYXRQ-UHFFFAOYSA-N
- Formula
- C6H4BrClO2S
- SMILES
- O=S(=O)(Cl)c1cccc(Br)c1
- Molecular Weight1
- 255.52
- CAS
- 2905-24-0
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -363.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -384.87 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.34 | kJ/mol | Joback Calculated Property |
| log10WS | -3.05 | Crippen Calculated Property | |
| logPoct/wat | 2.377 | Crippen Calculated Property | |
| McVol | 129.470 | ml/mol | McGowan Calculated Property |
| Pc | 5999.95 | kPa | Joback Calculated Property |
| Tboil | 519.71 | K | Joback Calculated Property |
| Tc | 753.75 | K | Joback Calculated Property |
| Tfus | 324.60 | K | Joback Calculated Property |
| Vc | 0.500 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [225.86; 270.56] | J/mol×K | [519.71; 753.75] | 
|
| Cp,gas | 225.86 | J/mol×K | 519.71 | Joback Calculated Property |
| Cp,gas | 234.97 | J/mol×K | 558.72 | Joback Calculated Property |
| Cp,gas | 243.40 | J/mol×K | 597.72 | Joback Calculated Property |
| Cp,gas | 251.16 | J/mol×K | 636.73 | Joback Calculated Property |
| Cp,gas | 258.26 | J/mol×K | 675.74 | Joback Calculated Property |
| Cp,gas | 264.72 | J/mol×K | 714.74 | Joback Calculated Property |
| Cp,gas | 270.56 | J/mol×K | 753.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Bromobenzenesulphonyl chloride.
Sources
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