Chemical Properties of 3-(4-Methoxyphenyl)-1-(2-naphthyl)prop-2-en-1-one (CAS 22359-67-7)

InChI

InChI=1S/C20H16O2/c1-22-19-11-6-15(7-12-19)8-13-20(21)18-10-9-16-4-2-3-5-17(16)14-18/h2-14H,1H3/b13-8+

InChI Key

VZFRSPMIFYIXSS-MDWZMJQESA-N

Formula

C20H16O2

SMILES

COc1ccc(C=CC(=O)c2ccc3ccccc3c2)cc1

Molecular Weight¹

288.34

CAS

22359-67-7

Other Names

• 1-(2-Naphthyl)-3-(4-methoxyphenyl) prop-2-en-1-one

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[281.67; 694.17]	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			-6.72700e+01
Coefficient B			1.55212e+00
Coefficient C			-1.08334e-03
Coefficient D			2.92660e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	281.67	J/mol×K	273.00	Calculated Property
Cp,gas	359.20	J/mol×K	353.78	Calculated Property
Cp,gas	426.65	J/mol×K	434.56	Calculated Property
Cp,gas	484.94	J/mol×K	515.33	Calculated Property
Cp,gas	535.00	J/mol×K	596.11	Calculated Property
Cp,gas	577.74	J/mol×K	676.89	Calculated Property
Cp,gas	614.11	J/mol×K	757.67	Calculated Property
Cp,gas	645.02	J/mol×K	838.44	Calculated Property
Cp,gas	671.40	J/mol×K	919.22	Calculated Property
Cp,gas	694.17	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007734; 0.0001670]	Pa×s	[492.82; 749.61]	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			-1.16388e+01
Coefficient B			2.20492e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			492.82
Temperature range, max.			749.61
η	0.0007734	Pa×s	492.82	Calculated Property
η	0.0006054	Pa×s	521.35	Calculated Property
η	0.0004861	Pa×s	549.88	Calculated Property
η	0.0003989	Pa×s	578.42	Calculated Property
η	0.0003334	Pa×s	606.95	Calculated Property
η	0.0002833	Pa×s	635.48	Calculated Property
η	0.0002440	Pa×s	664.01	Calculated Property
η	0.0002128	Pa×s	692.55	Calculated Property
η	0.0001876	Pa×s	721.08	Calculated Property
η	0.0001670	Pa×s	749.61	Calculated Property

Similar Compounds

Find more compounds similar to 3-(4-Methoxyphenyl)-1-(2-naphthyl)prop-2-en-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.
These property values are available through the Cheméo API. A free account gives you an access key.