- InChI
- InChI=1S/C7H8O2S/c1-10(8,9)7-5-3-2-4-6-7/h2-6H,1H3
- InChI Key
- JCDWETOKTFWTHA-UHFFFAOYSA-N
- Formula
- C7H8O2S
- SMILES
- CS(=O)(=O)c1ccccc1
- Molecular Weight1
- 156.20
- CAS
- 3112-85-4
- Other Names
-
- Benzene, (methylsulfonyl)-
- Methyl phenyl sulfone
- Phenyl methyl sulfone
- (Methylsulphonyl)benzene
- Methyl phenyl sulphone
- (Phenylsulfonyl)methane
- (Methylsulfonyl)benzene
- NSC 41587
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°liquid : Liquid phase 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| PAff | 812.70 | kJ/mol | NIST |
| BasG | 780.30 | kJ/mol | NIST |
| ΔcH°liquid | -4154.80 ± 0.67 | kJ/mol | NIST |
| ΔfG° | -348.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -253.40 ± 3.10 | kJ/mol | NIST |
| ΔfH°liquid | -345.40 ± 0.88 | kJ/mol | NIST |
| ΔfusH° | 19.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.09 | kJ/mol | Joback Calculated Property |
| IE | [9.50; 9.85] | eV |
|
| IE | 9.50 | eV | NIST |
| IE | 9.85 | eV | NIST |
| IE | 9.74 | eV | NIST |
| log10WS | -1.17 | Crippen Calculated Property | |
| logPoct/wat | 1.090 | Crippen Calculated Property | |
| McVol | 113.820 | ml/mol | McGowan Calculated Property |
| Pc | 5073.01 | kPa | Joback Calculated Property |
| Tboil | 434.02 | K | Joback Calculated Property |
| Tc | 640.17 | K | Joback Calculated Property |
| Tfus | [358.00; 363.00] | K |
|
| Tfus | 358.00 ± 2.00 | K | NIST |
| Tfus | 363.00 ± 2.00 | K | NIST |
| Tfus | 360.00 ± 3.00 | K | NIST |
| Tfus | 359.00 ± 3.00 | K | NIST |
| Tfus | 361.00 ± 3.00 | K | NIST |
| Vc | 0.446 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [208.52; 271.83] | J/mol×K | [434.02; 640.17] |
|
| Cp,gas | 208.52 | J/mol×K | 434.02 | Joback Calculated Property |
| Cp,gas | 220.66 | J/mol×K | 468.38 | Joback Calculated Property |
| Cp,gas | 232.16 | J/mol×K | 502.74 | Joback Calculated Property |
| Cp,gas | 243.01 | J/mol×K | 537.10 | Joback Calculated Property |
| Cp,gas | 253.24 | J/mol×K | 571.45 | Joback Calculated Property |
| Cp,gas | 262.84 | J/mol×K | 605.81 | Joback Calculated Property |
| Cp,gas | 271.83 | J/mol×K | 640.17 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sulfone, methyl phenyl.
Sources
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