- InChI
- InChI=1S/C12H9ClO2S2/c13-10-6-8-12(9-7-10)17(14,15)16-11-4-2-1-3-5-11/h1-9H
- InChI Key
- OZBQHMNNLSUKDP-UHFFFAOYSA-N
- Formula
- C12H9ClO2S2
- SMILES
- O=S(=O)(Sc1ccccc1)c1ccc(Cl)cc1
- Molecular Weight1
- 284.78
- CAS
- 1142-97-8
- Other Names
-
- Benzenesulfonic acid, p-chlorothio-, S-phenyl ester
- p-Chlorothiolbenzenesulfonic acid, phenyl ester
- 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 | 0.4957 | Relay (1.0) Calculated Property | |
| ΔfG° | -182.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -154.91 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.46 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.67 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.93 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.821 | Crippen Calculated Property | |
| McVol | 189.100 | ml/mol | McGowan Calculated Property |
| Pc | 3965.51 | kPa | Joback Calculated Property |
| Tboil | 634.06 | K | Relay (1.0) Calculated Property |
| Tc | 923.77 | K | Relay (1.0) Calculated Property |
| Tfus | 382.05 | K | Relay (1.0) Calculated Property |
| Vc | 0.641 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [434.60; 495.58] | J/mol×K | [686.29; 946.53] | 
|
| Cp,gas | 434.60 | J/mol×K | 686.29 | Joback Calculated Property |
| Cp,gas | 448.15 | J/mol×K | 729.66 | Joback Calculated Property |
| Cp,gas | 460.29 | J/mol×K | 773.04 | Joback Calculated Property |
| Cp,gas | 471.07 | J/mol×K | 816.41 | Joback Calculated Property |
| Cp,gas | 480.52 | J/mol×K | 859.78 | Joback Calculated Property |
| Cp,gas | 488.68 | J/mol×K | 903.16 | Joback Calculated Property |
| Cp,gas | 495.58 | J/mol×K | 946.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzenesulfonothioic acid, 4-chloro-, S-phenyl ester.
Sources
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