- InChI
- InChI=1S/C12H8Br2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H
- InChI Key
- QBNABJXQGRVIRA-UHFFFAOYSA-N
- Formula
- C12H8Br2O2S
- SMILES
-
O=S(=O)(c1ccc(Br)cc1)c1ccc(Br)
cc1 - Molecular Weight1
- 376.06
- CAS
- 2050-48-8
- Other Names
-
- Benzene, 1,1'-sulfonylbis(4-bromo-
- Bis(p-bromophenyl) sulfone
- Sulfone, bis(p-bromophenyl)
- 4,4'-Dibromodiphenyl 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).
- 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 |
|---|---|---|---|
| ΔfG° | -184.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -241.58 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.69 | kJ/mol | Joback Calculated Property |
| IE | 8.84 ± 0.05 | eV | NIST |
| log10WS | -5.16 | Crippen Calculated Property | |
| logPoct/wat | 4.044 | Crippen Calculated Property | |
| McVol | 195.510 | ml/mol | McGowan Calculated Property |
| Pc | 4789.21 | kPa | Joback Calculated Property |
| Tboil | 717.38 | K | Joback Calculated Property |
| Tc | 981.11 | K | Joback Calculated Property |
| Tfus | 461.04 | K | Joback Calculated Property |
| Vc | 0.742 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [427.59; 480.29] | J/mol×K | [717.38; 981.11] | 
|
| Cp,gas | 427.59 | J/mol×K | 717.38 | Joback Calculated Property |
| Cp,gas | 439.23 | J/mol×K | 761.34 | Joback Calculated Property |
| Cp,gas | 449.63 | J/mol×K | 805.29 | Joback Calculated Property |
| Cp,gas | 458.87 | J/mol×K | 849.25 | Joback Calculated Property |
| Cp,gas | 467.01 | J/mol×K | 893.20 | Joback Calculated Property |
| Cp,gas | 474.13 | J/mol×K | 937.16 | Joback Calculated Property |
| Cp,gas | 480.29 | J/mol×K | 981.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Bromophenyl sulfone.
Sources
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