- InChI
- InChI=1S/C8H6BrFO/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H2
- InChI Key
- ZJFWCELATJMDNO-UHFFFAOYSA-N
- Formula
- C8H6BrFO
- SMILES
- O=C(CBr)c1ccc(F)cc1
- Molecular Weight1
- 217.03
- CAS
- 403-29-2
- Other Names
-
- p-Fluorophenacyl bromide
- «omega»-Bromo-4-fluoroacetophenone
- 4-Fluorophenacyl bromide
- Ethanone, 2-bromo-1-(4-fluorophenyl)-
- Acetophenone, 2-bromo-4'-fluoro-
- 2-bromo-1-(4-fluorophenyl)ethan-1-one
- 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 | 0.5121 | Relay (1.0) Calculated Property | |
| ΔfG° | -190.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -280.40 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.85 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.43 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.87 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.403 | Crippen Calculated Property | |
| McVol | 120.660 | ml/mol | McGowan Calculated Property |
| Pc | 3990.60 | kPa | Joback Calculated Property |
| Tboil | 515.84 | K | Relay (1.0) Calculated Property |
| Tc | 737.14 | K | Relay (1.0) Calculated Property |
| Tfus | 352.39 | K | Relay (1.0) Calculated Property |
| Vc | 0.423 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [233.95; 283.53] | J/mol×K | [533.40; 760.54] | 
|
| Cp,gas | 233.95 | J/mol×K | 533.40 | Joback Calculated Property |
| Cp,gas | 243.86 | J/mol×K | 571.26 | Joback Calculated Property |
| Cp,gas | 253.06 | J/mol×K | 609.11 | Joback Calculated Property |
| Cp,gas | 261.59 | J/mol×K | 646.97 | Joback Calculated Property |
| Cp,gas | 269.49 | J/mol×K | 684.83 | Joback Calculated Property |
| Cp,gas | 276.79 | J/mol×K | 722.68 | Joback Calculated Property |
| Cp,gas | 283.53 | J/mol×K | 760.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Bromo-4-fluoroacetophenone.
Sources
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