- InChI
- InChI=1S/C15H11BrO2/c16-13(14(17)11-7-3-1-4-8-11)15(18)12-9-5-2-6-10-12/h1-10,13H
- InChI Key
- BYAJHZYXPBREEK-UHFFFAOYSA-N
- Formula
- C15H11BrO2
- SMILES
-
O=C(c1ccccc1)C(Br)C(=O)c1ccccc
1 - Molecular Weight1
- 303.15
- Other Names
-
- Bromodibenzoylmethane
- Dibenzoylbromomethane
- Methane, dibenzoylbromo-
- 2-Bromo-1,3-diphenyl-1,3-propanedione
- 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 | 0.5796 | Relay (1.0) Calculated Property | |
| ΔfG° | 54.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -96.05 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.75 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.74 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.18 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.516 | Crippen Calculated Property | |
| McVol | 195.330 | ml/mol | McGowan Calculated Property |
| Pc | 3110.57 | kPa | Joback Calculated Property |
| Tboil | 622.63 | K | Relay (1.0) Calculated Property |
| Tc | 906.57 | K | Relay (1.0) Calculated Property |
| Tfus | 422.15 | K | Relay (1.0) Calculated Property |
| Vc | 0.682 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [490.00; 549.18] | J/mol×K | [769.42; 1031.47] | 
|
| Cp,gas | 490.00 | J/mol×K | 769.42 | Joback Calculated Property |
| Cp,gas | 502.54 | J/mol×K | 813.10 | Joback Calculated Property |
| Cp,gas | 513.85 | J/mol×K | 856.77 | Joback Calculated Property |
| Cp,gas | 524.06 | J/mol×K | 900.45 | Joback Calculated Property |
| Cp,gas | 533.27 | J/mol×K | 944.12 | Joback Calculated Property |
| Cp,gas | 541.60 | J/mol×K | 987.80 | Joback Calculated Property |
| Cp,gas | 549.18 | J/mol×K | 1031.47 | Joback Calculated Property |
| η | [0.0001434; 0.0014639] | Pa×s | [456.31; 769.42] |
|
| η | 0.0014639 | Pa×s | 456.31 | Joback Calculated Property |
| η | 0.0008149 | Pa×s | 508.50 | Joback Calculated Property |
| η | 0.0005059 | Pa×s | 560.68 | Joback Calculated Property |
| η | 0.0003406 | Pa×s | 612.87 | Joback Calculated Property |
| η | 0.0002440 | Pa×s | 665.05 | Joback Calculated Property |
| η | 0.0001835 | Pa×s | 717.23 | Joback Calculated Property |
| η | 0.0001434 | Pa×s | 769.42 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Propanedione, 2-bromo-1,3-diphenyl-.
Sources
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