- InChI
- InChI=1S/C8H10O3S/c1-11-7-3-5-8(6-4-7)12(2,9)10/h3-6H,1-2H3
- InChI Key
- KAZUCVUGWMQGMC-UHFFFAOYSA-N
- Formula
- C8H10O3S
- SMILES
- COc1ccc(S(C)(=O)=O)cc1
- Molecular Weight1
- 186.23
- CAS
- 3517-90-6
- Other Names
-
- Anisole, p-(methylsulfonyl)-
- p-(Methylsulfonyl)anisole
- p-Anisyl methyl sulfone
- p-Methoxyphenyl methyl sulfone
- Methyl 4-methoxyphenyl sulfone
- 4-Methoxyphenyl methyl 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° | -454.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -568.96 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.39 | kJ/mol | Joback Calculated Property |
| log10WS | -1.28 | Crippen Calculated Property | |
| logPoct/wat | 1.099 | Crippen Calculated Property | |
| McVol | 133.780 | ml/mol | McGowan Calculated Property |
| Pc | 4260.71 | kPa | Joback Calculated Property |
| Tboil | 484.30 | K | Joback Calculated Property |
| Tc | 687.75 | K | Joback Calculated Property |
| Tfus | 279.65 | K | Joback Calculated Property |
| Vc | 0.519 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [272.85; 339.56] | J/mol×K | [484.30; 687.75] | 
|
| Cp,gas | 272.85 | J/mol×K | 484.30 | Joback Calculated Property |
| Cp,gas | 285.44 | J/mol×K | 518.21 | Joback Calculated Property |
| Cp,gas | 297.45 | J/mol×K | 552.12 | Joback Calculated Property |
| Cp,gas | 308.87 | J/mol×K | 586.03 | Joback Calculated Property |
| Cp,gas | 319.70 | J/mol×K | 619.93 | Joback Calculated Property |
| Cp,gas | 329.94 | J/mol×K | 653.84 | Joback Calculated Property |
| Cp,gas | 339.56 | J/mol×K | 687.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-methoxy-4-(methylsulfonyl)-.
Sources
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