- InChI
- InChI=1S/C15H14O/c1-11-3-7-13(8-4-11)15(16)14-9-5-12(2)6-10-14/h3-10H,1-2H3
- InChI Key
- ZWPWLKXZYNXATK-UHFFFAOYSA-N
- Formula
- C15H14O
- SMILES
- Cc1ccc(C(=O)c2ccc(C)cc2)cc1
- Molecular Weight1
- 210.27
- CAS
- 611-97-2
- Other Names
-
- 4,4'-Carbonylbis[toluene]
- 4,4'-Dimethylbenzophenone
- 4,4-Dimethylbenzophenone
- Benzophenone, 4,4'-dimethyl-
- Bis-p-tolyl ketone
- Di(4-methylphenyl) ketone
- Di-p-tolyl ketone
- Di-p-tolylmethanone
- NSC 1807
- NSC 37137
- p,p'-Dimethyl di-phenyl ketone
- p,p'-Dimethylbenzophenone
- p-Tolyl ketone
- 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 | 0.5761 | Relay (1.0) Calculated Property | |
| ΔfG° | 152.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -34.66 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.81 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.72 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.48 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.534 | Crippen Calculated Property | |
| McVol | 176.260 | ml/mol | McGowan Calculated Property |
| Pc | 2595.13 | kPa | Joback Calculated Property |
| Tboil | 612.98 | K | Relay (1.0) Calculated Property |
| Tc | 845.76 | K | Relay (1.0) Calculated Property |
| Tfus | 368.40 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.654 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [215.20; 539.08] | 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 | -4.26000e+01 | |||
| Coefficient B | 1.12404e+00 | |||
| Coefficient C | -7.01820e-04 | |||
| Coefficient D | 1.59460e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 215.20 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 274.28 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 326.41 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 372.10 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 411.84 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 446.15 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 475.52 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 500.46 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 521.48 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 539.08 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0017266; 0.0001932] | Pa×s | [368.40; 632.29] |
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 | -1.16096e+01 | |||
| Coefficient B | 1.93335e+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. | 368.40 | |||
| Temperature range, max. | 632.29 | |||
| η | 0.0017266 | Pa×s | 368.40 | Calculated Property |
| η | 0.0011726 | Pa×s | 397.72 | Calculated Property |
| η | 0.0008399 | Pa×s | 427.04 | Calculated Property |
| η | 0.0006279 | Pa×s | 456.36 | Calculated Property |
| η | 0.0004862 | Pa×s | 485.69 | Calculated Property |
| η | 0.0003876 | Pa×s | 515.01 | Calculated Property |
| η | 0.0003166 | Pa×s | 544.33 | Calculated Property |
| η | 0.0002641 | Pa×s | 573.65 | Calculated Property |
| η | 0.0002241 | Pa×s | 602.97 | Calculated Property |
| η | 0.0001932 | Pa×s | 632.29 | Calculated Property |
Similar Compounds
Find more compounds similar to Methanone, bis(4-methylphenyl)-.
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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