- InChI
- InChI=1S/C12H9FO2S/c13-10-6-8-12(9-7-10)16(14,15)11-4-2-1-3-5-11/h1-9H
- InChI Key
- MONGUDQJUIVFPI-UHFFFAOYSA-N
- Formula
- C12H9FO2S
- SMILES
- O=S(=O)(c1ccccc1)c1ccc(F)cc1
- Molecular Weight1
- 236.26
- CAS
- 312-31-2
- Other Names
-
- Sulfone, p-fluorophenyl phenyl
- p-Fluorophenyl phenyl sulfone
- 4-Fluorodiphenylsulfone
- 4-Fluorophenyl phenyl sulfone
- 1-fluoro-4-(phenylsulphonyl)benzene
- ω : Acentric Factor.
- 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).
- 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 |
|---|---|---|---|
| ω | 0.4966 | Relay (1.0) Calculated Property | |
| ΔfG° | -398.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -315.49 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.96 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.11 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.76 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.658 | Crippen Calculated Property | |
| McVol | 162.280 | ml/mol | McGowan Calculated Property |
| Pc | 3843.54 | kPa | Joback Calculated Property |
| Tboil | 611.59 | K | Relay (1.0) Calculated Property |
| Tc | 857.76 | K | Relay (1.0) Calculated Property |
| Tfus | 390.05 | K | Relay (1.0) Calculated Property |
| Vc | 0.571 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [367.28; 440.10] | J/mol×K | [579.35; 806.80] | 
|
| Cp,gas | 367.28 | J/mol×K | 579.35 | Joback Calculated Property |
| Cp,gas | 382.11 | J/mol×K | 617.26 | Joback Calculated Property |
| Cp,gas | 395.82 | J/mol×K | 655.17 | Joback Calculated Property |
| Cp,gas | 408.44 | J/mol×K | 693.07 | Joback Calculated Property |
| Cp,gas | 420.00 | J/mol×K | 730.98 | Joback Calculated Property |
| Cp,gas | 430.55 | J/mol×K | 768.89 | Joback Calculated Property |
| Cp,gas | 440.10 | J/mol×K | 806.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-fluoro-4-(phenylsulfonyl)-.
Sources
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