- InChI
- InChI=1S/C7H7ClO2S/c1-6-4-2-3-5-7(6)11(8,9)10/h2-5H,1H3
- InChI Key
- HDECRAPHCDXMIJ-UHFFFAOYSA-N
- Formula
- C7H7ClO2S
- SMILES
- Cc1ccccc1S(=O)(=O)Cl
- Molecular Weight1
- 190.65
- CAS
- 133-59-5
- Other Names
-
- o-Toluenesulfonyl chloride
- o-Tosyl chloride
- 2-Methylbenzenesulfonyl chloride
- toluene-2-sulphonyl chloride
- 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 | 0.4616 | Relay (1.0) Calculated Property | |
| ΔfG° | -369.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -275.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.13 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.47 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.16 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.923 | Crippen Calculated Property | |
| McVol | 126.060 | ml/mol | McGowan Calculated Property |
| Pc | 4717.12 | kPa | Joback Calculated Property |
| Tboil | 529.93 | K | Relay (1.0) Calculated Property |
| Tc | 785.09 | K | Relay (1.0) Calculated Property |
| Tfus | [283.59; 284.65] | K |
|
| Tfus | 283.59 ± 0.50 | K | NIST |
| Tfus | 284.65 ± 0.20 | K | NIST |
| Vc | 0.438 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [234.36; 291.69] | J/mol×K | [476.43; 690.41] |
|
| Cp,gas | 234.36 | J/mol×K | 476.43 | Joback Calculated Property |
| Cp,gas | 245.47 | J/mol×K | 512.09 | Joback Calculated Property |
| Cp,gas | 255.96 | J/mol×K | 547.76 | Joback Calculated Property |
| Cp,gas | 265.81 | J/mol×K | 583.42 | Joback Calculated Property |
| Cp,gas | 275.05 | J/mol×K | 619.08 | Joback Calculated Property |
| Cp,gas | 283.68 | J/mol×K | 654.74 | Joback Calculated Property |
| Cp,gas | 291.69 | J/mol×K | 690.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzenesulfonyl chloride, 2-methyl-.
Sources
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