- InChI
- InChI=1S/C10H13ClO2S/c1-10(2,3)8-4-6-9(7-5-8)14(11,12)13/h4-7H,1-3H3
- InChI Key
- YEZADZMMVHWFIY-UHFFFAOYSA-N
- Formula
- C10H13ClO2S
- SMILES
- CC(C)(C)c1ccc(S(=O)(=O)Cl)cc1
- Molecular Weight1
- 232.73
- CAS
- 15084-51-2
- 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 | 0.4983 | Relay (... Calculated Property | |
| ΔfG° | -341.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -356.84 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 23.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.82 | kJ/mol | Relay (... Calculated Property |
| IE | 9.16 | eV | Relay (... Calculated Property |
| log10WS | -4.77 | Relay (... Calculated Property | |
| logPoct/wat | 2.912 | Crippen Calculated Property | |
| McVol | 168.330 | ml/mol | McGowan Calculated Property |
| Pc | 3360.64 | kPa | Joback Calculated Property |
| Tboil | 550.69 | K | Relay (... Calculated Property |
| Tc | 797.50 | K | Relay (... Calculated Property |
| Tfus | 387.47 | K | Relay (... Calculated Property |
| Vc | 0.593 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [368.44; 444.15] | J/mol×K | [541.84; 759.20] | 
|
| Cp,gas | 368.44 | J/mol×K | 541.84 | Joback Calculated Property |
| Cp,gas | 383.51 | J/mol×K | 578.07 | Joback Calculated Property |
| Cp,gas | 397.55 | J/mol×K | 614.29 | Joback Calculated Property |
| Cp,gas | 410.60 | J/mol×K | 650.52 | Joback Calculated Property |
| Cp,gas | 422.69 | J/mol×K | 686.74 | Joback Calculated Property |
| Cp,gas | 433.87 | J/mol×K | 722.97 | Joback Calculated Property |
| Cp,gas | 444.15 | J/mol×K | 759.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-t-Butylbenzenesulfonyl chloride.
Sources
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