- InChI
- InChI=1S/C9H8O2/c1-7(10)9(11)8-5-3-2-4-6-8/h2-6H,1H3
- InChI Key
- BVQVLAIMHVDZEL-UHFFFAOYSA-N
- Formula
- C9H8O2
- SMILES
- CC(=O)C(=O)c1ccccc1
- Molecular Weight1
- 148.16
- CAS
- 579-07-7
- Other Names
-
- Acetylbenzoyl
- Benzoyl methyl ketone
- Benzoylacetyl
- Methylphenylglyoxal
- Phenylmethyldiketone
- Pyruvophenone
- 1-Phenyl-1,2-propanedione
- 3-Phenyl-2,3-propanedione
- Methyl phenyl diketone
- 1-Phenyl-1,2-propandione
- 1-phenylpropane-1,2-dione
- 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).
- 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).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- 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 |
|---|---|---|---|
| ΔfG° | -120.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -217.72 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.40 | kJ/mol | Joback Calculated Property |
| log10WS | -1.83 | Crippen Calculated Property | |
| logPoct/wat | 1.458 | Crippen Calculated Property | |
| McVol | 117.050 | ml/mol | McGowan Calculated Property |
| Pc | 3786.98 | kPa | Joback Calculated Property |
| Inp | [1166.10; 1186.00] |
|
|
| Inp | 1186.00 | NIST | |
| Inp | 1166.10 | NIST | |
| Inp | 1175.00 | NIST | |
| Inp | 1186.00 | NIST | |
| Inp | 1166.10 | NIST | |
| Inp | 1175.00 | NIST | |
| I | [1817.00; 1818.00] |
|
|
| I | 1818.00 | NIST | |
| I | 1818.00 | NIST | |
| I | 1817.00 | NIST | |
| I | 1818.00 | NIST | |
| Tboil | 539.74 | K | Joback Calculated Property |
| Tc | 767.58 | K | Joback Calculated Property |
| Tfus | 317.47 | K | Joback Calculated Property |
| Vc | 0.444 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [248.60; 307.13] | J/mol×K | [539.74; 767.58] |
|
| Cp,gas | 248.60 | J/mol×K | 539.74 | Joback Calculated Property |
| Cp,gas | 260.27 | J/mol×K | 577.71 | Joback Calculated Property |
| Cp,gas | 271.12 | J/mol×K | 615.69 | Joback Calculated Property |
| Cp,gas | 281.20 | J/mol×K | 653.66 | Joback Calculated Property |
| Cp,gas | 290.54 | J/mol×K | 691.63 | Joback Calculated Property |
| Cp,gas | 299.17 | J/mol×K | 729.61 | Joback Calculated Property |
| Cp,gas | 307.13 | J/mol×K | 767.58 | Joback Calculated Property |
| η | [0.0003032; 0.0026925] | Pa×s | [317.47; 539.74] |
|
| η | 0.0026925 | Pa×s | 317.47 | Joback Calculated Property |
| η | 0.0015470 | Pa×s | 354.52 | Joback Calculated Property |
| η | 0.0009871 | Pa×s | 391.56 | Joback Calculated Property |
| η | 0.0006807 | Pa×s | 428.61 | Joback Calculated Property |
| η | 0.0004980 | Pa×s | 465.65 | Joback Calculated Property |
| η | 0.0003815 | Pa×s | 502.69 | Joback Calculated Property |
| η | 0.0003032 | Pa×s | 539.74 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 377.20 | K | 1.90 | NIST |
Similar Compounds
Find more compounds similar to 1,2-Propanedione, 1-phenyl-.
Sources
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