Chemical Properties of Etafenone (CAS 90-54-0)

InChI

InChI=1S/C21H27NO2/c1-3-22(4-2)16-17-24-21-13-9-8-12-19(21)20(23)15-14-18-10-6-5-7-11-18/h5-13H,3-4,14-17H2,1-2H3

InChI Key

OEGDFSLNGABBKJ-UHFFFAOYSA-N

Formula

C21H27NO2

SMILES

CCN(CC)CCOc1ccccc1C(=O)CCc1ccccc1

Molecular Weight¹

325.44

CAS

90-54-0

Other Names

• 1-Propanone, 1-[2-[2-(diethylamino)ethoxy]phenyl]-3-phenyl-
• 2'-[2-(Diethylamino)ethoxy]-3-phenylpropiophenone
• LG-11457

• 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	0.8022		Relay (1.0) Calculated Property
ΔfG°	217.99	kJ/mol	Joback Calculated Property
ΔfH°gas	-212.71	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	43.65	kJ/mol	Joback Calculated Property
ΔvapH°	102.78	kJ/mol	Relay (1.0) Calculated Property
IE	8.05	eV	Relay (1.0) Calculated Property
log10WS	-3.78		Relay (1.0) Calculated Property
logPoct/wat	4.223		Crippen Calculated Property
McVol	276.650	ml/mol	McGowan Calculated Property
Pc	1546.35	kPa	Joback Calculated Property
Inp	[2434.00; 2434.00]
Inp	2434.00		NIST
Inp	2434.00		NIST
Tboil	666.95	K	Relay (1.0) Calculated Property
Tc	892.88	K	Relay (1.0) Calculated Property
Tfus	307.54	K	Relay (1.0) Calculated Property
Vc	1.000	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[837.45; 921.66]	J/mol×K	[826.95; 1042.09]
Cp,gas	837.45	J/mol×K	826.95	Joback Calculated Property
Cp,gas	854.35	J/mol×K	862.81	Joback Calculated Property
Cp,gas	870.02	J/mol×K	898.66	Joback Calculated Property
Cp,gas	884.52	J/mol×K	934.52	Joback Calculated Property
Cp,gas	897.91	J/mol×K	970.38	Joback Calculated Property
Cp,gas	910.27	J/mol×K	1006.23	Joback Calculated Property
Cp,gas	921.66	J/mol×K	1042.09	Joback Calculated Property

Similar Compounds

Find more compounds similar to Etafenone.

Sources

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

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