Chemical Properties of Methanone, bis[4-(diethylamino)phenyl]-

InChI

InChI=1S/C21H28N2O/c1-5-22(6-2)19-13-9-17(10-14-19)21(24)18-11-15-20(16-12-18)23(7-3)8-4/h9-16H,5-8H2,1-4H3

InChI Key

VYHBFRJRBHMIQZ-UHFFFAOYSA-N

Formula

C21H28N2O

SMILES

CCN(CC)c1ccc(C(=O)c2ccc(N(CC)CC)cc2)cc1

Molecular Weight¹

324.47

Other Names

• Benzophenone, 4,4'-bis(diethylamino)-
• p,p'-(Tetraethyldiamino)benzophenone
• p,p'-bis(Diethylamino)benzophenone
• Michler's ethyl ketone
• 4,4'-(Tetraethyldiamino)benzophenone
• 4,4'-Bis(diethylamino)benzophenone
• 4,4-Bis(diethylamino)benzophenone
• 4,4'-Diethylaminobenzophenone
• 4,4'-Bis(N,N-diethylamino)benzophenone
• Ethyl Michler ketone
• NSC 36365
• Narucure CS
• MEK (N,N,N',N', tetraethyl-4-4'-diamino benzophenone)

• 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	-111.11	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	45.09	kJ/mol	Joback Calculated Property
ΔvapH°	119.21	kJ/mol	Relay (1.0) Calculated Property
IE	7.03	eV	Relay (1.0) Calculated Property
log10WS	-5.53		Relay (1.0) Calculated Property
logPoct/wat	4.610		Crippen Calculated Property
McVol	280.760	ml/mol	McGowan Calculated Property
Inp	[3152.00; 3152.00]
Inp	3152.00		NIST
Inp	3152.00		NIST
Tboil	669.86	K	Relay (1.0) Calculated Property
Tfus	387.43	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	[373.50; 924.68]	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			-6.94360e+01
Coefficient B			1.94188e+00
Coefficient C			-1.25342e-03
Coefficient D			3.05660e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	373.50	J/mol×K	273.00	Calculated Property
Cp,gas	474.22	J/mol×K	353.78	Calculated Property
Cp,gas	562.81	J/mol×K	434.56	Calculated Property
Cp,gas	640.24	J/mol×K	515.33	Calculated Property
Cp,gas	707.49	J/mol×K	596.11	Calculated Property
Cp,gas	765.51	J/mol×K	676.89	Calculated Property
Cp,gas	815.27	J/mol×K	757.67	Calculated Property
Cp,gas	857.74	J/mol×K	838.44	Calculated Property
Cp,gas	893.89	J/mol×K	919.22	Calculated Property
Cp,gas	924.68	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Methanone, bis[4-(diethylamino)phenyl]-.

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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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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