- InChI
- InChI=1S/C12H10O3S2/c13-16(11-7-3-1-4-8-11)17(14,15)12-9-5-2-6-10-12/h1-10H
- InChI Key
- GCYFEGKYSQLZAQ-UHFFFAOYSA-N
- Formula
- C12H10O3S2
- SMILES
- O=S(c1ccccc1)S(=O)(=O)c1ccccc1
- Molecular Weight1
- 266.34
- CAS
- 784-81-6
- 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° | -411.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -477.04 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.22 | kJ/mol | Joback Calculated Property |
| log10WS | -2.46 | Crippen Calculated Property | |
| logPoct/wat | 2.183 | Crippen Calculated Property | |
| McVol | 182.730 | ml/mol | McGowan Calculated Property |
| Pc | 4646.65 | kPa | Joback Calculated Property |
| Tboil | 633.38 | K | Joback Calculated Property |
| Tc | 875.25 | K | Joback Calculated Property |
| Tfus | 352.88 | K | Joback Calculated Property |
| Vc | 0.708 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [427.45; 499.21] | J/mol×K | [633.38; 875.25] | 
|
| Cp,gas | 427.45 | J/mol×K | 633.38 | Joback Calculated Property |
| Cp,gas | 442.75 | J/mol×K | 673.69 | Joback Calculated Property |
| Cp,gas | 456.68 | J/mol×K | 714.00 | Joback Calculated Property |
| Cp,gas | 469.26 | J/mol×K | 754.31 | Joback Calculated Property |
| Cp,gas | 480.52 | J/mol×K | 794.62 | Joback Calculated Property |
| Cp,gas | 490.50 | J/mol×K | 834.94 | Joback Calculated Property |
| Cp,gas | 499.21 | J/mol×K | 875.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phenyl benzenesulfinyl sulfone.
Sources
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