- InChI
- InChI=1S/C7H7FO2S/c1-11(9,10)7-4-2-6(8)3-5-7/h2-5H,1H3
- InChI Key
- DPJHZJGAGIWXTD-UHFFFAOYSA-N
- Formula
- C7H7FO2S
- SMILES
- CS(=O)(=O)c1ccc(F)cc1
- Molecular Weight1
- 174.19
- CAS
- 455-15-2
- Other Names
-
- 1-fluoro-4-(methylsulfonyl)benzene
- 1-fluoro-4-(methylsulphonyl)benzene
- 1-fluoro-4-methanesulfonylbenzene
- 1-fluoro-4-methylsulfonylbenzene
- 4-(methylsulfonyl)fluorobenzene
- 4-fluoro-1-(methylsulfonyl)benzene
- 4-fluorophenyl methyl sulfone
- 4-methylsulfonyl-1-fluorobenzene
- Sulfone, p-fluorophenyl methyl
- methyl 4-fluorophenyl sulfone
- p-fluorophenyl 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° | -552.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -612.21 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.93 | kJ/mol | Joback Calculated Property |
| log10WS | -1.50 | Crippen Calculated Property | |
| logPoct/wat | 1.229 | Crippen Calculated Property | |
| McVol | 115.590 | ml/mol | McGowan Calculated Property |
| Pc | 4665.71 | kPa | Joback Calculated Property |
| Tboil | 438.27 | K | Joback Calculated Property |
| Tc | 634.72 | K | Joback Calculated Property |
| Tfus | 246.74 | K | Joback Calculated Property |
| Vc | 0.464 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [217.64; 276.02] | J/mol×K | [438.27; 634.72] | 
|
| Cp,gas | 217.64 | J/mol×K | 438.27 | Joback Calculated Property |
| Cp,gas | 228.71 | J/mol×K | 471.01 | Joback Calculated Property |
| Cp,gas | 239.23 | J/mol×K | 503.75 | Joback Calculated Property |
| Cp,gas | 249.22 | J/mol×K | 536.49 | Joback Calculated Property |
| Cp,gas | 258.68 | J/mol×K | 569.23 | Joback Calculated Property |
| Cp,gas | 267.62 | J/mol×K | 601.98 | Joback Calculated Property |
| Cp,gas | 276.02 | J/mol×K | 634.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-fluoro-4-(methylsulfonyl)-.
Mixtures
- Trichloromethane + Benzene, 1-fluoro-4-(methylsulfonyl)-
- Benzene, 1-fluoro-4-(methylsulfonyl)- + Acetone
- Toluene + Benzene, 1-fluoro-4-(methylsulfonyl)-
- Benzene, 1-fluoro-4-(methylsulfonyl)- + Ethyl Acetate
- Ethanol + Benzene, 1-fluoro-4-(methylsulfonyl)-
Sources
- Crippen Method
- Crippen Method
- Solubility of 1-Fluoro-4-(methylsulfonyl)benzene in Five Pure Organic Solvents at Temperatures from (288.40 to 331.50) K
- Joback Method
- McGowan Method
- NIST Webbook
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