Chemical Properties of 1-Phenyl-1,1-di-o-tolyl-2-propanone

InChI

InChI=1S/C23H22O/c1-17-11-7-9-15-21(17)23(19(3)24,20-13-5-4-6-14-20)22-16-10-8-12-18(22)2/h4-16H,1-3H3

InChI Key

GMOUGOGLADCJGU-UHFFFAOYSA-N

Formula

C23H22O

SMILES

CC(=O)C(c1ccccc1)(c1ccccc1C)c1ccccc1C

Molecular Weight¹

314.43

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[326.19; 834.75]	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			-1.08250e+02
Coefficient B			1.93096e+00
Coefficient C			-1.34002e-03
Coefficient D			3.52060e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	326.19	J/mol×K	273.00	Calculated Property
Cp,gas	422.75	J/mol×K	353.78	Calculated Property
Cp,gas	506.70	J/mol×K	434.56	Calculated Property
Cp,gas	579.15	J/mol×K	515.33	Calculated Property
Cp,gas	641.22	J/mol×K	596.11	Calculated Property
Cp,gas	694.01	J/mol×K	676.89	Calculated Property
Cp,gas	738.65	J/mol×K	757.67	Calculated Property
Cp,gas	776.24	J/mol×K	838.44	Calculated Property
Cp,gas	807.91	J/mol×K	919.22	Calculated Property
Cp,gas	834.75	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006350; 0.0000778]	Pa×s	[505.62; 788.18]	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			-1.32172e+01
Coefficient B			2.96059e+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.			505.62
Temperature range, max.			788.18
η	0.0006350	Pa×s	505.62	Calculated Property
η	0.0004509	Pa×s	537.02	Calculated Property
η	0.0003326	Pa×s	568.41	Calculated Property
η	0.0002532	Pa×s	599.81	Calculated Property
η	0.0001981	Pa×s	631.20	Calculated Property
η	0.0001586	Pa×s	662.60	Calculated Property
η	0.0001296	Pa×s	693.99	Calculated Property
η	0.0001077	Pa×s	725.39	Calculated Property
η	0.0000910	Pa×s	756.78	Calculated Property
η	0.0000778	Pa×s	788.18	Calculated Property

Similar Compounds

Find more compounds similar to 1-Phenyl-1,1-di-o-tolyl-2-propanone.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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