Chemical Properties of Methanone, bis[4-(diethylamino)phenyl]- (CAS 90-93-7)

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

324.46

CAS

90-93-7

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)

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.8488		Relay (1.0) Calculated Property
ΔfG°	424.14	kJ/mol	Joback Calculated Property
ΔfH°gas	-111.11	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	45.09	kJ/mol	Joback Calculated Property
ΔvapH°	117.93	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
Pc	1546.35	kPa	Joback Calculated Property
Inp	[3152.00; 3152.00]
Inp	3152.00		NIST
Inp	3152.00		NIST
Tboil	669.86	K	Relay (1.0) Calculated Property
Tc	925.95	K	Relay (1.0) Calculated Property
Tfus	395.35	K	Relay (1.0) Calculated Property
Vc	1.015	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[849.62; 937.32]	J/mol×K	[821.95; 1037.16]
Cp,gas	849.62	J/mol×K	821.95	Joback Calculated Property
Cp,gas	866.95	J/mol×K	857.82	Joback Calculated Property
Cp,gas	883.09	J/mol×K	893.69	Joback Calculated Property
Cp,gas	898.11	J/mol×K	929.55	Joback Calculated Property
Cp,gas	912.10	J/mol×K	965.42	Joback Calculated Property
Cp,gas	925.14	J/mol×K	1001.29	Joback Calculated Property
Cp,gas	937.32	J/mol×K	1037.16	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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