Chemical Properties of Propafenone (CAS 54063-53-5)

InChI

InChI=1S/C21H27NO3/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17/h3-11,18,22-23H,2,12-16H2,1H3

InChI Key

JWHAUXFOSRPERK-UHFFFAOYSA-N

Formula

C21H27NO3

SMILES

CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1

Molecular Weight¹

341.44

CAS

54063-53-5

Other Names

• 1-(2-(2-Hydroxy-3-(propylamino)propoxy)phenyl)-3-phenyl-1-propanone
• 1-Propanone, 1-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-phenyl-
• 2'-[2-Hydroxy-3-(propylamino)propoxy]-3-phenylpropiophenone
• Rhytmol

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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, Ionization energy, 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	[383.71; 926.27]	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			-3.44540e+01
Coefficient B			1.80642e+00
Coefficient C			-1.06646e-03
Coefficient D			2.20760e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	383.71	J/mol×K	273.00	Calculated Property
Cp,gas	480.92	J/mol×K	353.78	Calculated Property
Cp,gas	567.26	J/mol×K	434.56	Calculated Property
Cp,gas	643.45	J/mol×K	515.33	Calculated Property
Cp,gas	710.17	J/mol×K	596.11	Calculated Property
Cp,gas	768.13	J/mol×K	676.89	Calculated Property
Cp,gas	818.02	J/mol×K	757.67	Calculated Property
Cp,gas	860.54	J/mol×K	838.44	Calculated Property
Cp,gas	896.39	J/mol×K	919.22	Calculated Property
Cp,gas	926.27	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Propafenone.

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.
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