- InChI
- InChI=1S/C13H12O2S/c1-11-7-9-13(10-8-11)16(14,15)12-5-3-2-4-6-12/h2-10H,1H3
- InChI Key
- YBRXHRWLEFCFEG-UHFFFAOYSA-N
- Formula
- C13H12O2S
- SMILES
- Cc1ccc(S(=O)(=O)c2ccccc2)cc1
- Molecular Weight1
- 232.30
- CAS
- 640-57-3
- Other Names
-
- Sulfone, phenyl p-tolyl
- Phenyl p-tolyl sulfone
- 4-Methyldiphenyl sulfone
- p-(phenylsulphonyl)toluene
- 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° | -194.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -303.41 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.38 | kJ/mol | Joback Calculated Property |
| log10WS | -3.31 | Crippen Calculated Property | |
| logPoct/wat | 2.828 | Crippen Calculated Property | |
| McVol | 174.600 | ml/mol | McGowan Calculated Property |
| Pc | 3611.55 | kPa | Joback Calculated Property |
| Tboil | 602.96 | K | Joback Calculated Property |
| Tc | 837.49 | K | Joback Calculated Property |
| Tfus | [395.00; 400.40] | K |
|
| Tfus | 395.00 ± 2.00 | K | NIST |
| Tfus | 400.40 ± 1.50 | K | NIST |
| Vc | 0.673 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [407.39; 486.88] | J/mol×K | [602.96; 837.49] |
|
| Cp,gas | 407.39 | J/mol×K | 602.96 | Joback Calculated Property |
| Cp,gas | 423.63 | J/mol×K | 642.05 | Joback Calculated Property |
| Cp,gas | 438.62 | J/mol×K | 681.14 | Joback Calculated Property |
| Cp,gas | 452.41 | J/mol×K | 720.23 | Joback Calculated Property |
| Cp,gas | 465.02 | J/mol×K | 759.31 | Joback Calculated Property |
| Cp,gas | 476.50 | J/mol×K | 798.40 | Joback Calculated Property |
| Cp,gas | 486.88 | J/mol×K | 837.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-methyl-4-(phenylsulfonyl)-.
Sources
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