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

InChI

InChI=1S/C20H20O4/c1-16(21)23-14-7-15-24-20-11-6-5-10-18(20)19(22)13-12-17-8-3-2-4-9-17/h2-11,15H,12-14H2,1H3/b15-7+

InChI Key

JNJLPJKSKKKSAY-VIZOYTHASA-N

Formula

C20H20O4

SMILES

CC(=O)OC/C=C/Oc1ccccc1C(=O)CCc1ccccc1

Molecular Weight¹

324.38

• 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).
• Δ_vapH° : Enthalpy of vaporization 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	42.61	kJ/mol	Joback Calculated Property
ΔvapH°	116.26	kJ/mol	Relay (1.0) Calculated Property
IE	7.93	eV	Relay (1.0) Calculated Property
logPoct/wat	3.958		Crippen Calculated Property
McVol	255.720	ml/mol	McGowan Calculated Property
Inp	[2715.00; 2715.00]
Inp	2715.00		NIST
Inp	2715.00		NIST
Tboil	662.00	K	Relay (1.0) Calculated Property
Tfus	340.02	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[749.47; 815.09]	J/mol×K	[854.21; 1082.44]
Cp,gas	749.47	J/mol×K	854.21	Joback Calculated Property
Cp,gas	763.39	J/mol×K	892.25	Joback Calculated Property
Cp,gas	776.03	J/mol×K	930.29	Joback Calculated Property
Cp,gas	787.46	J/mol×K	968.33	Joback Calculated Property
Cp,gas	797.75	J/mol×K	1006.36	Joback Calculated Property
Cp,gas	806.93	J/mol×K	1044.40	Joback Calculated Property
Cp,gas	815.09	J/mol×K	1082.44	Joback Calculated Property
η	[0.0000428; 0.0005552]	Pa×s	[489.93; 854.21]
η	0.0005552	Pa×s	489.93	Joback Calculated Property
η	0.0002863	Pa×s	550.64	Joback Calculated Property
η	0.0001684	Pa×s	611.36	Joback Calculated Property
η	0.0001090	Pa×s	672.07	Joback Calculated Property
η	0.0000758	Pa×s	732.78	Joback Calculated Property
η	0.0000558	Pa×s	793.50	Joback Calculated Property
η	0.0000428	Pa×s	854.21	Joback Calculated Property

Similar Compounds

Find more compounds similar to PROPAFENONE-H2O, M(DESAMINO-HO-), 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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