- InChI
- InChI=1S/C17H16O2/c1-17(2,15(18)13-9-5-3-6-10-13)16(19)14-11-7-4-8-12-14/h3-12H,1-2H3
- InChI Key
- ZCQWHDYGRXASIN-UHFFFAOYSA-N
- Formula
- C17H16O2
- SMILES
-
CC(C)(C(=O)c1ccccc1)C(=O)c1ccc
cc1 - Molecular Weight1
- 252.31
- CAS
- 41169-42-0
- Other Names
-
- 2,2-Dimethyl-1,3-diphenyl-1,3-propanedione
- 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 |
|---|---|---|---|
| ΔfG° | 62.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -155.06 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.18 | kJ/mol | Joback Calculated Property |
| IE | 9.00 ± 0.05 | eV | NIST |
| log10WS | -4.62 | Crippen Calculated Property | |
| logPoct/wat | 3.778 | Crippen Calculated Property | |
| McVol | 206.010 | ml/mol | McGowan Calculated Property |
| Pc | 2395.87 | kPa | Joback Calculated Property |
| Tboil | 746.23 | K | Joback Calculated Property |
| Tc | 996.72 | K | Joback Calculated Property |
| Tfus | 436.47 | K | Joback Calculated Property |
| Vc | 0.772 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [563.88; 638.10] | J/mol×K | [746.23; 996.72] | 
|
| Cp,gas | 563.88 | J/mol×K | 746.23 | Joback Calculated Property |
| Cp,gas | 579.29 | J/mol×K | 787.98 | Joback Calculated Property |
| Cp,gas | 593.31 | J/mol×K | 829.73 | Joback Calculated Property |
| Cp,gas | 606.07 | J/mol×K | 871.48 | Joback Calculated Property |
| Cp,gas | 617.70 | J/mol×K | 913.22 | Joback Calculated Property |
| Cp,gas | 628.34 | J/mol×K | 954.97 | Joback Calculated Property |
| Cp,gas | 638.10 | J/mol×K | 996.72 | Joback Calculated Property |
| η | [0.0001156; 0.0015226] | Pa×s | [436.47; 746.23] |
|
| η | 0.0015226 | Pa×s | 436.47 | Joback Calculated Property |
| η | 0.0007894 | Pa×s | 488.10 | Joback Calculated Property |
| η | 0.0004640 | Pa×s | 539.72 | Joback Calculated Property |
| η | 0.0002993 | Pa×s | 591.35 | Joback Calculated Property |
| η | 0.0002071 | Pa×s | 642.98 | Joback Calculated Property |
| η | 0.0001514 | Pa×s | 694.60 | Joback Calculated Property |
| η | 0.0001156 | Pa×s | 746.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Propanedione,2,2-dimethyl-1,3-diphenyl-.
Sources
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