- InChI
- InChI=1S/C9H11ClO2S/c1-6-4-7(2)9(8(3)5-6)13(10,11)12/h4-5H,1-3H3
- InChI Key
- PVJZBZSCGJAWNG-UHFFFAOYSA-N
- Formula
- C9H11ClO2S
- SMILES
- Cc1cc(C)c(S(=O)(=O)Cl)c(C)c1
- Molecular Weight1
- 218.70
- CAS
- 773-64-8
- Other Names
-
- 2-Mesitylenesulfonyl chloride
- Mesitylenesulfonyl chloride
- Mesitylsulfonyl chloride
- 2,4,6-Trimethylbenzenesulfonyl chloride
- mesitylene-2-sulphonyl chloride
- 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° | -372.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -496.06 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.91 | kJ/mol | Joback Calculated Property |
| log10WS | -3.32 | Crippen Calculated Property | |
| logPoct/wat | 2.539 | Crippen Calculated Property | |
| McVol | 154.240 | ml/mol | McGowan Calculated Property |
| Pc | 3551.53 | kPa | Joback Calculated Property |
| Tboil | 532.15 | K | Joback Calculated Property |
| Tc | 741.98 | K | Joback Calculated Property |
| Tfus | 323.65 | K | Joback Calculated Property |
| Vc | 0.607 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [319.27; 385.00] | J/mol×K | [532.15; 741.98] | 
|
| Cp,gas | 319.27 | J/mol×K | 532.15 | Joback Calculated Property |
| Cp,gas | 331.84 | J/mol×K | 567.12 | Joback Calculated Property |
| Cp,gas | 343.77 | J/mol×K | 602.09 | Joback Calculated Property |
| Cp,gas | 355.05 | J/mol×K | 637.06 | Joback Calculated Property |
| Cp,gas | 365.68 | J/mol×K | 672.04 | Joback Calculated Property |
| Cp,gas | 375.67 | J/mol×K | 707.01 | Joback Calculated Property |
| Cp,gas | 385.00 | J/mol×K | 741.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzenesulfonyl chloride, 2,4,6-trimethyl-.
Sources
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