- InChI
- InChI=1S/C26H20O/c27-25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H
- InChI Key
- CFBBKHROQRFCNZ-UHFFFAOYSA-N
- Formula
- C26H20O
- SMILES
-
O=C(c1ccccc1)C(c1ccccc1)(c1ccc
cc1)c1ccccc1 - Molecular Weight1
- 348.44
- Other Names
-
- 1,2,2,2-Tetraphenyl-1-ethanone
- 1,2,2,2-Tetraphenylethanone
- Benzopinacolone
- Ethanone, tetraphenyl-
- Phenyl trityl ketone
- Tetraphenylethanone
- «beta»-Benzopinacolone
- «omega»,«omega»,«omega»-Triphenylacetophenone
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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 | 0.6034 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -13310.00 | kJ/mol | NIST |
| ΔfG° | 491.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 281.91 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.06 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.16 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.19 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.904 | Crippen Calculated Property | |
| McVol | 283.730 | ml/mol | McGowan Calculated Property |
| Pc | 1877.28 | kPa | Joback Calculated Property |
| Tboil | 703.19 | K | Relay (1.0) Calculated Property |
| Tc | 1062.56 | K | Relay (1.0) Calculated Property |
| Tfus | 455.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.989 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [327.48; 877.08] | 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 | -1.73480e+02 | |||
| Coefficient B | 2.25600e+00 | |||
| Coefficient C | -1.66850e-03 | |||
| Coefficient D | 4.63060e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 327.48 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 436.32 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 529.80 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 609.38 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 676.54 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 732.72 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 779.40 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 818.05 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 850.12 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 877.08 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0017301; 0.0000512] | Pa×s | [455.15; 865.43] |
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 | -1.37835e+01 | |||
| Coefficient B | 3.37901e+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. | 455.15 | |||
| Temperature range, max. | 865.43 | |||
| η | 0.0017301 | Pa×s | 455.15 | Calculated Property |
| η | 0.0008801 | Pa×s | 500.74 | Calculated Property |
| η | 0.0005012 | Pa×s | 546.32 | Calculated Property |
| η | 0.0003113 | Pa×s | 591.91 | Calculated Property |
| η | 0.0002069 | Pa×s | 637.50 | Calculated Property |
| η | 0.0001453 | Pa×s | 683.08 | Calculated Property |
| η | 0.0001066 | Pa×s | 728.67 | Calculated Property |
| η | 0.0000811 | Pa×s | 774.26 | Calculated Property |
| η | 0.0000637 | Pa×s | 819.85 | Calculated Property |
| η | 0.0000512 | Pa×s | 865.43 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,2,2-Triphenylacetophenone.
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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