- InChI
- InChI=1S/C16H18O2S/c1-3-13-5-9-15(10-6-13)19(17,18)16-11-7-14(4-2)8-12-16/h5-12H,3-4H2,1-2H3
- InChI Key
- SYTJCVCXQZUFKK-UHFFFAOYSA-N
- Formula
- C16H18O2S
- SMILES
-
CCc1ccc(S(=O)(=O)c2ccc(CC)cc2)
cc1 - Molecular Weight1
- 274.38
- CAS
- 66294-51-7
- 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° | -179.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -376.80 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.72 | kJ/mol | Joback Calculated Property |
| log10WS | -4.44 | Crippen Calculated Property | |
| logPoct/wat | 3.644 | Crippen Calculated Property | |
| McVol | 216.870 | ml/mol | McGowan Calculated Property |
| Pc | 2584.59 | kPa | Joback Calculated Property |
| Tboil | 676.58 | K | Joback Calculated Property |
| Tc | 898.88 | K | Joback Calculated Property |
| Tfus | 386.52 | K | Joback Calculated Property |
| Vc | 0.842 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [560.42; 645.50] | J/mol×K | [676.58; 898.88] | 
|
| Cp,gas | 560.42 | J/mol×K | 676.58 | Joback Calculated Property |
| Cp,gas | 577.63 | J/mol×K | 713.63 | Joback Calculated Property |
| Cp,gas | 593.58 | J/mol×K | 750.68 | Joback Calculated Property |
| Cp,gas | 608.30 | J/mol×K | 787.73 | Joback Calculated Property |
| Cp,gas | 621.84 | J/mol×K | 824.78 | Joback Calculated Property |
| Cp,gas | 634.23 | J/mol×K | 861.83 | Joback Calculated Property |
| Cp,gas | 645.50 | J/mol×K | 898.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Di-(p-ethylphenyl)sulfone.
Sources
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