- InChI
- InChI=1S/C15H11BrO/c16-14-9-7-13(8-10-14)15(17)11-6-12-4-2-1-3-5-12/h1-11H/b11-6+
- InChI Key
- QMHDTKUBDZUMNH-IZZDOVSWSA-N
- Formula
- C15H11BrO
- SMILES
- O=C(C=Cc1ccccc1)c1ccc(Br)cc1
- Molecular Weight1
- 287.15
- CAS
- 2403-27-2
- Other Names
-
- Chalcone, 4'-bromo-
- 4'-Bromochalcone
- Alpha-benzylidene-p-bromo-acetophenone
- 1-(4-Bromophenyl)-3-phenyl-2-propen-1-one
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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 | 0.5125 | Relay (... Calculated Property | |
| ΔfG° | 256.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 111.02 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 29.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.00 | kJ/mol | Relay (... Calculated Property |
| IE | 8.76 | eV | Relay (... Calculated Property |
| log10WS | -5.36 | Relay (... Calculated Property | |
| logPoct/wat | 4.345 | Crippen Calculated Property | |
| McVol | 189.460 | ml/mol | McGowan Calculated Property |
| Pc | 2995.87 | kPa | Joback Calculated Property |
| Tboil | 643.00 | K | Relay (... Calculated Property |
| Tc | 899.66 | K | Relay (... Calculated Property |
| Tfus | 376.01 | K | Relay (... Calculated Property |
| Vc | 0.658 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [452.99; 518.42] | J/mol×K | [725.13; 988.64] | 
|
| Cp,gas | 452.99 | J/mol×K | 725.13 | Joback Calculated Property |
| Cp,gas | 466.44 | J/mol×K | 769.05 | Joback Calculated Property |
| Cp,gas | 478.69 | J/mol×K | 812.97 | Joback Calculated Property |
| Cp,gas | 489.88 | J/mol×K | 856.89 | Joback Calculated Property |
| Cp,gas | 500.14 | J/mol×K | 900.81 | Joback Calculated Property |
| Cp,gas | 509.61 | J/mol×K | 944.73 | Joback Calculated Property |
| Cp,gas | 518.42 | J/mol×K | 988.64 | Joback Calculated Property |
| η | [0.0001365; 0.0011601] | Pa×s | [428.82; 725.13] |
|
| η | 0.0011601 | Pa×s | 428.82 | Joback Calculated Property |
| η | 0.0006755 | Pa×s | 478.20 | Joback Calculated Property |
| η | 0.0004353 | Pa×s | 527.59 | Joback Calculated Property |
| η | 0.0003024 | Pa×s | 576.98 | Joback Calculated Property |
| η | 0.0002225 | Pa×s | 626.36 | Joback Calculated Property |
| η | 0.0001712 | Pa×s | 675.75 | Joback Calculated Property |
| η | 0.0001365 | Pa×s | 725.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Propen-1-one, 1-(4-bromophenyl)-3-phenyl-.
Sources
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