- 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° | 122.94 | 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 | 1005.21 | K | Relay (1.0) Calculated Property |
| Tfus | 392.56 | K | Relay (1.0) Calculated Property |
| Vc | 0.943 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [323.16; 828.92] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -1.06698e+02 | |||
| Coefficient B | 1.90200e+00 | |||
| Coefficient C | -1.28680e-03 | |||
| Coefficient D | 3.20420e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 323.16 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 419.32 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 503.12 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 575.58 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 637.72 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 690.53 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 735.05 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 772.28 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 803.23 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 828.92 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0008604; 0.0000903] | Pa×s | [513.09; 817.36] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.31127e+01 | |||
| Coefficient B | 3.10658e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 513.09 | |||
| Temperature range, max. | 817.36 | |||
| η | 0.0008604 | Pa×s | 513.09 | Calculated Property |
| η | 0.0005918 | Pa×s | 546.90 | Calculated Property |
| η | 0.0004251 | Pa×s | 580.71 | Calculated Property |
| η | 0.0003168 | Pa×s | 614.51 | Calculated Property |
| η | 0.0002434 | Pa×s | 648.32 | Calculated Property |
| η | 0.0001919 | Pa×s | 682.13 | Calculated Property |
| η | 0.0001548 | Pa×s | 715.94 | Calculated Property |
| η | 0.0001273 | Pa×s | 749.74 | Calculated Property |
| η | 0.0001064 | Pa×s | 783.55 | Calculated Property |
| η | 0.0000903 | Pa×s | 817.36 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,3,5-Triphenyl-1,5-pentadione.
Sources
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