- InChI
- InChI=1S/C7H7ClO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3
- InChI Key
- YYROPELSRYBVMQ-UHFFFAOYSA-N
- Formula
- C7H7ClO2S
- SMILES
- Cc1ccc(S(=O)(=O)Cl)cc1
- Molecular Weight1
- 190.65
- Other Names
-
- p-Toluenesulfonyl chloride
- p-Methylbenzenesulfonyl chloride
- p-Toluenesulfochloride
- p-Toluenesulfonic acid chloride
- p-Tolylsulfonyl chloride
- p-Tosyl chloride
- Toluenesulfonyl chloride
- Tosyl chloride
- 4-Methylbenzenesulfonyl chloride
- 4-Toluenesulfonyl chloride
- Toluene-4-sulfonyl chloride
- Toluene p-sulfonyl chloride
- p-Toluenesulphonyl chloride
- p-Methylphenylsulfonyl chloride
- 4-Tosyl chloride
- p-Toluenesulfonic chloride
- 4-Toluensulfonyl chloride
- NSC 175822
- 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 | 0.4713 | Relay (1.0) Calculated Property | |
| ΔfG° | -369.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -283.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.29 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.28 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.24 | 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 | 529.84 | K | Relay (1.0) Calculated Property |
| Tc | 775.44 | K | Relay (1.0) Calculated Property |
| Tfus | 355.59 | K | Relay (1.0) Calculated Property |
| Vc | 0.442 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [158.69; 336.40] | 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 | 2.30500e+01 | |||
| Coefficient B | 5.70810e-01 | |||
| Coefficient C | -2.75960e-04 | |||
| Coefficient D | 1.85000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 158.69 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 191.27 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 220.50 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 246.45 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 269.17 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 288.72 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 305.16 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 318.55 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 328.94 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 336.40 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzenesulfonyl chloride, 4-methyl-.
Sources
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