- InChI
- InChI=1S/C25H19BrO/c26-21-15-13-20(14-16-21)25(27)17-24(19-7-2-1-3-8-19)23-12-6-10-18-9-4-5-11-22(18)23/h1-16,24H,17H2
- InChI Key
- DZSMNBIDMCHTGR-UHFFFAOYSA-N
- Formula
- C25H19BrO
- SMILES
-
O=C(CC(c1ccccc1)c1cccc2ccccc12
)c1ccc(Br)cc1 - Molecular Weight1
- 415.32
- CAS
- 5472-05-9
- 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 | 0.6848 | Relay (... Calculated Property | |
| ΔfG° | 467.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 188.21 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 42.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 140.66 | kJ/mol | Relay (... Calculated Property |
| IE | 8.15 | eV | Relay (... Calculated Property |
| log10WS | -7.72 | Relay (... Calculated Property | |
| logPoct/wat | 7.007 | Crippen Calculated Property | |
| McVol | 291.440 | ml/mol | McGowan Calculated Property |
| Pc | 1940.65 | kPa | Joback Calculated Property |
| Tboil | 755.74 | K | Relay (... Calculated Property |
| Tc | 1109.03 | K | Relay (... Calculated Property |
| Tfus | 389.69 | K | Relay (... Calculated Property |
| Vc | 1.015 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [855.28; 932.76] | J/mol×K | [999.97; 1274.17] | 
|
| Cp,gas | 855.28 | J/mol×K | 999.97 | Joback Calculated Property |
| Cp,gas | 869.22 | J/mol×K | 1045.67 | Joback Calculated Property |
| Cp,gas | 882.43 | J/mol×K | 1091.37 | Joback Calculated Property |
| Cp,gas | 895.15 | J/mol×K | 1137.07 | Joback Calculated Property |
| Cp,gas | 907.62 | J/mol×K | 1182.77 | Joback Calculated Property |
| Cp,gas | 920.08 | J/mol×K | 1228.47 | Joback Calculated Property |
| Cp,gas | 932.76 | J/mol×K | 1274.17 | Joback Calculated Property |
| η | [0.0000828; 0.0005698] | Pa×s | [603.24; 999.97] |
|
| η | 0.0005698 | Pa×s | 603.24 | Joback Calculated Property |
| η | 0.0003525 | Pa×s | 669.36 | Joback Calculated Property |
| η | 0.0002377 | Pa×s | 735.48 | Joback Calculated Property |
| η | 0.0001711 | Pa×s | 801.61 | Joback Calculated Property |
| η | 0.0001294 | Pa×s | 867.73 | Joback Calculated Property |
| η | 0.0001019 | Pa×s | 933.85 | Joback Calculated Property |
| η | 0.0000828 | Pa×s | 999.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Beta-phenyl, beta-1-naphthyl p-bromopropiophenone.
Sources
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