- InChI
- InChI=1S/C23H20O2/c24-22(19-12-6-2-7-13-19)16-21(18-10-4-1-5-11-18)17-23(25)20-14-8-3-9-15-20/h1-15,21H,16-17H2
- InChI Key
- SQFIJFCIFAVGEG-UHFFFAOYSA-N
- Formula
- C23H20O2
- SMILES
-
O=C(CC(CC(=O)c1ccccc1)c1ccccc1
)c1ccccc1 - Molecular Weight1
- 328.41
- 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 | 0.6858 | Relay (1.0) Calculated Property | |
| ΔfG° | 219.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -24.16 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 123.18 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.69 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.40 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.316 | Crippen Calculated Property | |
| McVol | 266.790 | ml/mol | McGowan Calculated Property |
| Pc | 1892.00 | kPa | Joback Calculated Property |
| Tboil | 672.76 | K | Relay (1.0) Calculated Property |
| Tc | 1004.60 | K | Relay (1.0) Calculated Property |
| Tfus | 393.55 | K | Relay (1.0) Calculated Property |
| Vc | 0.944 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [801.04; 869.79] | J/mol×K | [912.98; 1167.40] | 
|
| Cp,gas | 801.04 | J/mol×K | 912.98 | Joback Calculated Property |
| Cp,gas | 815.32 | J/mol×K | 955.38 | Joback Calculated Property |
| Cp,gas | 828.28 | J/mol×K | 997.79 | Joback Calculated Property |
| Cp,gas | 840.06 | J/mol×K | 1040.19 | Joback Calculated Property |
| Cp,gas | 850.81 | J/mol×K | 1082.59 | Joback Calculated Property |
| Cp,gas | 860.67 | J/mol×K | 1125.00 | Joback Calculated Property |
| Cp,gas | 869.79 | J/mol×K | 1167.40 | Joback Calculated Property |
| η | [0.0000607; 0.0008604] | Pa×s | [513.09; 912.98] |
|
| η | 0.0008604 | Pa×s | 513.09 | Joback Calculated Property |
| η | 0.0004290 | Pa×s | 579.74 | Joback Calculated Property |
| η | 0.0002469 | Pa×s | 646.39 | Joback Calculated Property |
| η | 0.0001575 | Pa×s | 713.03 | Joback Calculated Property |
| η | 0.0001085 | Pa×s | 779.68 | Joback Calculated Property |
| η | 0.0000793 | Pa×s | 846.33 | Joback Calculated Property |
| η | 0.0000607 | Pa×s | 912.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3,5-Triphenyl-1,5-pentadione.
Sources
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