- InChI
- InChI=1S/C20H14O2/c21-19(15-7-3-1-4-8-15)17-11-13-18(14-12-17)20(22)16-9-5-2-6-10-16/h1-14H
- InChI Key
- NPENBPVOAXERED-UHFFFAOYSA-N
- Formula
- C20H14O2
- SMILES
-
O=C(c1ccccc1)c1ccc(C(=O)c2cccc
c2)cc1 - Molecular Weight1
- 286.32
- CAS
- 3016-97-5
- Other Names
-
- (4-Benzoyl-phenyl)-phenyl-methanone
- 1,4-Dibenzoylbenzene
- 4-Benzoylbenzophenone
- Methanone, 1,4-phenylenebis*phenyl-
- p-Dibenzoylbenzene
- 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 | 0.6864 | Relay (1.0) Calculated Property | |
| ΔfG° | 187.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 5.69 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 129.74 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.17 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.35 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.149 | Crippen Calculated Property | |
| McVol | 224.520 | ml/mol | McGowan Calculated Property |
| Pc | 2417.12 | kPa | Joback Calculated Property |
| Tboil | 679.88 | K | Relay (1.0) Calculated Property |
| Tc | 993.96 | K | Relay (1.0) Calculated Property |
| Tfus | 436.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.825 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [262.39; 670.57] | 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 | -8.79900e+01 | |||
| Coefficient B | 1.55160e+00 | |||
| Coefficient C | -1.05336e-03 | |||
| Coefficient D | 2.60320e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 262.39 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 340.62 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 408.71 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 467.49 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 517.77 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 560.38 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 596.14 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 625.88 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 650.41 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 670.57 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0021249; 0.0001333] | Pa×s | [436.15; 780.99] |
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 | -1.24249e+01 | |||
| Coefficient B | 2.73502e+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. | 436.15 | |||
| Temperature range, max. | 780.99 | |||
| η | 0.0021249 | Pa×s | 436.15 | Calculated Property |
| η | 0.0012806 | Pa×s | 474.47 | Calculated Property |
| η | 0.0008324 | Pa×s | 512.78 | Calculated Property |
| η | 0.0005745 | Pa×s | 551.10 | Calculated Property |
| η | 0.0004161 | Pa×s | 589.41 | Calculated Property |
| η | 0.0003135 | Pa×s | 627.73 | Calculated Property |
| η | 0.0002440 | Pa×s | 666.04 | Calculated Property |
| η | 0.0001951 | Pa×s | 704.36 | Calculated Property |
| η | 0.0001597 | Pa×s | 742.68 | Calculated Property |
| η | 0.0001333 | Pa×s | 780.99 | Calculated Property |
Similar Compounds
Find more compounds similar to Methanone, 1,4-phenylenebis[phenyl-.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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