- InChI
- InChI=1S/C12H8BrF/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H
- InChI Key
- XFGPSHWWPIFPNL-UHFFFAOYSA-N
- Formula
- C12H8BrF
- SMILES
- Fc1ccc(-c2ccc(Br)cc2)cc1
- Molecular Weight1
- 251.09
- CAS
- 398-21-0
- Other Names
-
- 4-bromo-4'-fluoro-1,1'-biphenyl
- 4-Bromo-4'-fluorobiphenyl
- 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 | 0.4253 | Relay (1.0) Calculated Property | |
| ΔfG° | 75.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 13.05 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.20 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.10 ± 0.02 | eV | NIST |
| log10WS | -5.55 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.255 | Crippen Calculated Property | |
| McVol | 151.690 | ml/mol | McGowan Calculated Property |
| Pc | 3403.91 | kPa | Joback Calculated Property |
| Tboil | 582.56 | K | Relay (1.0) Calculated Property |
| Tc | 801.01 | K | Relay (1.0) Calculated Property |
| Tfus | 375.79 | K | Relay (1.0) Calculated Property |
| Vc | 0.554 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [323.16; 387.43] | J/mol×K | [602.71; 855.66] | 
|
| Cp,gas | 323.16 | J/mol×K | 602.71 | Joback Calculated Property |
| Cp,gas | 336.38 | J/mol×K | 644.87 | Joback Calculated Property |
| Cp,gas | 348.49 | J/mol×K | 687.03 | Joback Calculated Property |
| Cp,gas | 359.58 | J/mol×K | 729.19 | Joback Calculated Property |
| Cp,gas | 369.71 | J/mol×K | 771.34 | Joback Calculated Property |
| Cp,gas | 378.97 | J/mol×K | 813.50 | Joback Calculated Property |
| Cp,gas | 387.43 | J/mol×K | 855.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Biphenyl, 4-bromo-4'-fluoro-.
Sources
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