Chemical Properties of 1-{2-[2-(Diethylamino)ethoxy]phenyl}-3-phenylpropan-1-one

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

325.45

Other Names

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

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	43.65	kJ/mol	Joback Calculated Property
IE	8.05	eV	Relay (1.0) Calculated Property
logPoct/wat	4.223		Crippen Calculated Property
McVol	276.650	ml/mol	McGowan Calculated Property
Inp	[2434.00; 2434.00]
Inp	2434.00		NIST
Inp	2434.00		NIST
Tboil	666.95	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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	[370.85; 908.20]	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			-4.75440e+01
Coefficient B			1.81424e+00
Coefficient C			-1.09686e-03
Coefficient D			2.38360e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	370.85	J/mol×K	273.00	Calculated Property
Cp,gas	467.57	J/mol×K	353.78	Calculated Property
Cp,gas	553.27	J/mol×K	434.56	Calculated Property
Cp,gas	628.72	J/mol×K	515.33	Calculated Property
Cp,gas	694.67	J/mol×K	596.11	Calculated Property
Cp,gas	751.86	J/mol×K	676.89	Calculated Property
Cp,gas	801.06	J/mol×K	757.67	Calculated Property
Cp,gas	843.01	J/mol×K	838.44	Calculated Property
Cp,gas	878.47	J/mol×K	919.22	Calculated Property
Cp,gas	908.20	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 1-{2-[2-(Diethylamino)ethoxy]phenyl}-3-phenylpropan-1-one.

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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