- InChI
- InChI=1S/C15H12O2/c16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13/h1-10H,11H2
- InChI Key
- NZZIMKJIVMHWJC-UHFFFAOYSA-N
- Formula
- C15H12O2
- SMILES
- O=C(CC(=O)c1ccccc1)c1ccccc1
- Molecular Weight1
- 224.25
- CAS
- 120-46-7
- Other Names
-
- 1,3-Propanedione, 1,3-diphenyl-
- «omega»-Benzoylacetophenone
- Phenyl phenacyl ketone
- 1,3-Diphenyl-1,3-propanedione
- 2-Benzoylacetophenone
- 1,3-Diphenylpropane-1,3-dione
- omega-Benzoylacetophenone
- Karenzu DK 2
- Rhodiastab 83
- NSC 6266
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Tboilr : Boiling point at reduced pressure (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 |
|---|---|---|---|
| ΔcH°solid | [-7410.00; -7386.00] | kJ/mol |
|
| ΔcH°solid | -7393.00 ± 2.00 | kJ/mol | NIST |
| ΔcH°solid | -7386.00 ± 4.60 | kJ/mol | NIST |
| ΔcH°solid | -7395.00 ± 3.00 | kJ/mol | NIST |
| ΔcH°solid | -7410.00 | kJ/mol | NIST |
| ΔfG° | 42.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -109.20 ± 2.00 | kJ/mol | NIST |
| ΔfH°solid | [-241.00; -222.30] | kJ/mol |
|
| ΔfH°solid | -228.00 ± 12.00 | kJ/mol | NIST |
| ΔfH°solid | -222.30 | kJ/mol | NIST |
| ΔfH°solid | -241.00 | kJ/mol | NIST |
| ΔfusH° | 25.89 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [50.20; 115.70] | kJ/mol |
|
| ΔsubH° | 113.30 ± 4.80 | kJ/mol | NIST |
| ΔsubH° | 115.70 ± 0.90 | kJ/mol | NIST |
| ΔsubH° | 115.70 ± 0.90 | kJ/mol | NIST |
| ΔsubH° | 50.20 | kJ/mol | NIST |
| ΔvapH° | 67.03 | kJ/mol | Joback Calculated Property |
| IE | [8.30; 8.45] | eV |
|
| IE | 8.30 | eV | NIST |
| IE | 8.45 ± 0.05 | eV | NIST |
| log10WS | -4.02 | Crippen Calculated Property | |
| logPoct/wat | 3.142 | Crippen Calculated Property | |
| McVol | 177.830 | ml/mol | McGowan Calculated Property |
| Pc | 2859.68 | kPa | Joback Calculated Property |
| Tboil | 703.70 | K | Joback Calculated Property |
| Tc | 950.85 | K | Joback Calculated Property |
| Tfus | 351.00 ± 3.00 | K | NIST |
| Vc | 0.671 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [456.25; 524.72] | J/mol×K | [703.70; 950.85] |
|
| Cp,gas | 456.25 | J/mol×K | 703.70 | Joback Calculated Property |
| Cp,gas | 470.52 | J/mol×K | 744.89 | Joback Calculated Property |
| Cp,gas | 483.54 | J/mol×K | 786.08 | Joback Calculated Property |
| Cp,gas | 495.38 | J/mol×K | 827.27 | Joback Calculated Property |
| Cp,gas | 506.14 | J/mol×K | 868.46 | Joback Calculated Property |
| Cp,gas | 515.89 | J/mol×K | 909.66 | Joback Calculated Property |
| Cp,gas | 524.72 | J/mol×K | 950.85 | Joback Calculated Property |
| η | [0.0001767; 0.0017667] | Pa×s | [411.51; 703.70] |
|
| η | 0.0017667 | Pa×s | 411.51 | Joback Calculated Property |
| η | 0.0009825 | Pa×s | 460.21 | Joback Calculated Property |
| η | 0.0006113 | Pa×s | 508.91 | Joback Calculated Property |
| η | 0.0004132 | Pa×s | 557.61 | Joback Calculated Property |
| η | 0.0002974 | Pa×s | 606.30 | Joback Calculated Property |
| η | 0.0002248 | Pa×s | 655.00 | Joback Calculated Property |
| η | 0.0001767 | Pa×s | 703.70 | Joback Calculated Property |
| ΔvapH | 60.10 | kJ/mol | 375.50 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 493.20 | K | 2.40 | NIST |
Similar Compounds
Find more compounds similar to Dibenzoylmethane.
Sources
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