- InChI
- InChI=1S/C15H16O2S/c1-11-9-12(2)15(13(3)10-11)18(16,17)14-7-5-4-6-8-14/h4-10H,1-3H3
- InChI Key
- KASDQDYPCNMNLM-UHFFFAOYSA-N
- Formula
- C15H16O2S
- SMILES
-
Cc1cc(C)c(S(=O)(=O)c2ccccc2)c(
C)c1 - Molecular Weight1
- 260.35
- CAS
- 3112-82-1
- Other Names
-
- Benzene, 1,3,5-trimethyl-2-(phenylsulfonyl)-
- Mesityl phenyl sulfone
- Phenyl 2,4,6-trimethylphenyl sulfone
- Sulfone, mesityl phenyl
- 2,4,6-Trimethylphenyl phenyl sulfone
- 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° | -197.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -367.63 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.16 | kJ/mol | Joback Calculated Property |
| log10WS | -4.26 | Crippen Calculated Property | |
| logPoct/wat | 3.445 | Crippen Calculated Property | |
| McVol | 202.780 | ml/mol | McGowan Calculated Property |
| Pc | 2811.36 | kPa | Joback Calculated Property |
| Tboil | 658.68 | K | Joback Calculated Property |
| Tc | 885.95 | K | Joback Calculated Property |
| Tfus | 346.00 ± 2.00 | K | NIST |
| Vc | 0.785 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [507.27; 589.77] | J/mol×K | [658.68; 885.95] | 
|
| Cp,gas | 507.27 | J/mol×K | 658.68 | Joback Calculated Property |
| Cp,gas | 523.95 | J/mol×K | 696.56 | Joback Calculated Property |
| Cp,gas | 539.42 | J/mol×K | 734.44 | Joback Calculated Property |
| Cp,gas | 553.71 | J/mol×K | 772.31 | Joback Calculated Property |
| Cp,gas | 566.85 | J/mol×K | 810.19 | Joback Calculated Property |
| Cp,gas | 578.86 | J/mol×K | 848.07 | Joback Calculated Property |
| Cp,gas | 589.77 | J/mol×K | 885.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4,6-Trimethyldiphenylsulphone.
Sources
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