- InChI
- InChI=1S/C13H12O4S2/c14-18(15,12-7-3-1-4-8-12)11-19(16,17)13-9-5-2-6-10-13/h1-10H,11H2
- InChI Key
- QCHNSJNRFSOCLJ-UHFFFAOYSA-N
- Formula
- C13H12O4S2
- SMILES
-
O=S(=O)(CS(=O)(=O)c1ccccc1)c1c
cccc1 - Molecular Weight1
- 296.36
- CAS
- 3406-02-8
- Other Names
-
- Benzene, 1,1'-[methylenebis(sulfonyl)]bis-
- [methylenebis(sulphonyl)]bisbenzene
- 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° | -653.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -745.29 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.35 | kJ/mol | Joback Calculated Property |
| log10WS | -2.58 | Crippen Calculated Property | |
| logPoct/wat | 1.892 | Crippen Calculated Property | |
| McVol | 202.690 | ml/mol | McGowan Calculated Property |
| Pc | 4480.21 | kPa | Joback Calculated Property |
| Tboil | 645.76 | K | Joback Calculated Property |
| Tc | 869.33 | K | Joback Calculated Property |
| Tfus | 366.23 | K | Joback Calculated Property |
| Vc | 0.799 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [493.24; 568.16] | J/mol×K | [645.76; 869.33] | 
|
| Cp,gas | 493.24 | J/mol×K | 645.76 | Joback Calculated Property |
| Cp,gas | 508.95 | J/mol×K | 683.02 | Joback Calculated Property |
| Cp,gas | 523.35 | J/mol×K | 720.28 | Joback Calculated Property |
| Cp,gas | 536.44 | J/mol×K | 757.55 | Joback Calculated Property |
| Cp,gas | 548.26 | J/mol×K | 794.81 | Joback Calculated Property |
| Cp,gas | 558.83 | J/mol×K | 832.07 | Joback Calculated Property |
| Cp,gas | 568.16 | J/mol×K | 869.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Bis(phenylsulfonyl)methane.
Sources
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