Chemical Properties of PROPAFENONE-H2O, M(DESAMINO-DI-IIO-), AC

InChI

InChI=1S/C22H22O6/c1-16(23)26-13-6-14-27-22-12-10-19(28-17(2)24)15-20(22)21(25)11-9-18-7-4-3-5-8-18/h3-8,10,12,14-15H,9,11,13H2,1-2H3/b14-6+

InChI Key

PPJPAFBMLKJYTF-MKMNVTDBSA-N

Formula

C22H22O6

SMILES

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

Molecular Weight¹

382.41

• 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°	51.77	kJ/mol	Joback Calculated Property
logPoct/wat	3.883		Crippen Calculated Property
McVol	291.340	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	[397.77; 904.35]	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			1.31730e+01
Coefficient B			1.63624e+00
Coefficient C			-8.66220e-04
Coefficient D			1.21160e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	397.77	J/mol×K	273.00	Calculated Property
Cp,gas	488.99	J/mol×K	353.78	Calculated Property
Cp,gas	570.58	J/mol×K	434.56	Calculated Property
Cp,gas	642.92	J/mol×K	515.33	Calculated Property
Cp,gas	706.41	J/mol×K	596.11	Calculated Property
Cp,gas	761.42	J/mol×K	676.89	Calculated Property
Cp,gas	808.33	J/mol×K	757.67	Calculated Property
Cp,gas	847.54	J/mol×K	838.44	Calculated Property
Cp,gas	879.42	J/mol×K	919.22	Calculated Property
Cp,gas	904.35	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002501; 0.0000352]	Pa×s	[567.32; 835.25]	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			-1.44105e+01
Coefficient B			3.47024e+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.			567.32
Temperature range, max.			835.25
η	0.0002501	Pa×s	567.32	Calculated Property
η	0.0001844	Pa×s	597.09	Calculated Property
η	0.0001399	Pa×s	626.86	Calculated Property
η	0.0001088	Pa×s	656.63	Calculated Property
η	0.0000865	Pa×s	686.40	Calculated Property
η	0.0000701	Pa×s	716.17	Calculated Property
η	0.0000578	Pa×s	745.94	Calculated Property
η	0.0000484	Pa×s	775.71	Calculated Property
η	0.0000410	Pa×s	805.48	Calculated Property
η	0.0000352	Pa×s	835.25	Calculated Property

Similar Compounds

Find more compounds similar to PROPAFENONE-H2O, M(DESAMINO-DI-IIO-), AC.

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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