Chemical Properties of Propafenone desamino dihydroxy, acetylated

InChI

InChI=1S/C24H26O8/c1-16(25)29-14-21(32-18(3)27)15-30-24-12-10-20(31-17(2)26)13-22(24)23(28)11-9-19-7-5-4-6-8-19/h4-8,10,12-13,21H,9,11,14-15H2,1-3H3

InChI Key

DBMTXAYWOUZNNZ-UHFFFAOYSA-N

Formula

C24H26O8

SMILES

CC(=O)OCC(COc1ccc(OC(C)=O)cc1C(=O)CCc1ccccc1)OC(C)=O

Molecular Weight¹

442.46

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

Physical Properties

Property	Value	Unit	Source
ΔfusH°	57.59	kJ/mol	Joback Calculated Property
logPoct/wat	3.301		Crippen Calculated Property
McVol	331.260	ml/mol	McGowan Calculated Property
Inp	[2950.00; 2950.00]
Inp	2950.00		NIST
Inp	2950.00		NIST

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	[470.23; 1046.76]	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			4.92640e+01
Coefficient B			1.75736e+00
Coefficient C			-7.99820e-04
Coefficient D			3.99600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	470.23	J/mol×K	273.00	Calculated Property
Cp,gas	572.64	J/mol×K	353.78	Calculated Property
Cp,gas	665.18	J/mol×K	434.56	Calculated Property
Cp,gas	747.95	J/mol×K	515.33	Calculated Property
Cp,gas	821.10	J/mol×K	596.11	Calculated Property
Cp,gas	884.73	J/mol×K	676.89	Calculated Property
Cp,gas	938.99	J/mol×K	757.67	Calculated Property
Cp,gas	984.00	J/mol×K	838.44	Calculated Property
Cp,gas	1019.88	J/mol×K	919.22	Calculated Property
Cp,gas	1046.76	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001401; 0.0000172]	Pa×s	[622.27; 911.37]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.54776e+01
Coefficient B			4.10986e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			622.27
Temperature range, max.			911.37
η	0.0001401	Pa×s	622.27	Calculated Property
η	0.0001013	Pa×s	654.39	Calculated Property
η	0.0000755	Pa×s	686.52	Calculated Property
η	0.0000578	Pa×s	718.64	Calculated Property
η	0.0000452	Pa×s	750.76	Calculated Property
η	0.0000361	Pa×s	782.88	Calculated Property
η	0.0000294	Pa×s	815.01	Calculated Property
η	0.0000243	Pa×s	847.13	Calculated Property
η	0.0000203	Pa×s	879.25	Calculated Property
η	0.0000172	Pa×s	911.37	Calculated Property

Similar Compounds

Find more compounds similar to Propafenone desamino dihydroxy, acetylated.

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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