Chemical Properties of ethanone, 1,2-diphenyl-2-(phenylamino)-

InChI

InChI=1S/C20H17NO/c22-20(17-12-6-2-7-13-17)19(16-10-4-1-5-11-16)21-18-14-8-3-9-15-18/h1-15,19,21H

InChI Key

SPWKVDHPFJFAAJ-UHFFFAOYSA-N

Formula

C20H17NO

SMILES

O=C(c1ccccc1)C(Nc1ccccc1)c1ccccc1

Molecular Weight¹

287.36

Other Names

• 1,2-diphenyl-2-(phenylamino)ethanone
• Acetophenone, 2-phenyl-2-phenylamino

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	178.13	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	32.85	kJ/mol	Joback Calculated Property
ΔvapH°	106.10	kJ/mol	Relay (1.0) Calculated Property
IE	7.49	eV	Relay (1.0) Calculated Property
log10WS	-4.73		Relay (1.0) Calculated Property
logPoct/wat	4.723		Crippen Calculated Property
McVol	232.930	ml/mol	McGowan Calculated Property
Inp	[2440.00; 2440.00]
Inp	2440.00		NIST
Inp	2440.00		NIST
Tboil	660.31	K	Relay (1.0) Calculated Property
Tfus	403.09	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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	[274.78; 722.02]	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			-1.12540e+02
Coefficient B			1.72120e+00
Coefficient C			-1.19090e-03
Coefficient D			3.04260e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	274.78	J/mol×K	273.00	Calculated Property
Cp,gas	360.80	J/mol×K	353.78	Calculated Property
Cp,gas	435.50	J/mol×K	434.56	Calculated Property
Cp,gas	499.83	J/mol×K	515.33	Calculated Property
Cp,gas	554.75	J/mol×K	596.11	Calculated Property
Cp,gas	601.24	J/mol×K	676.89	Calculated Property
Cp,gas	640.25	J/mol×K	757.67	Calculated Property
Cp,gas	672.74	J/mol×K	838.44	Calculated Property
Cp,gas	699.67	J/mol×K	919.22	Calculated Property
Cp,gas	722.02	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to ethanone, 1,2-diphenyl-2-(phenylamino)-.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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