Chemical Properties of 4-Methoxy-6-(4-methoxyphenethyl)-5,6-dihydro-2H-pyran-2-one (CAS 3328-59-4)

InChI

InChI=1S/C15H18O4/c1-17-12-6-3-11(4-7-12)5-8-13-9-14(18-2)10-15(16)19-13/h3-4,6-7,10,13H,5,8-9H2,1-2H3

InChI Key

IZGFAKZIDOQLHS-UHFFFAOYSA-N

Formula

C15H18O4

SMILES

COC1=CC(=O)OC(CCc2ccc(OC)cc2)C1

Molecular Weight¹

262.30

CAS

3328-59-4

• 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.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	31.87	kJ/mol	Joback Calculated Property
logPoct/wat	2.474		Crippen Calculated Property
McVol	202.470	ml/mol	McGowan Calculated Property
Inp	[2439.00; 2439.00]
Inp	2439.00		NIST
Inp	2439.00		NIST
Tboil	649.97	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[283.87; 663.91]	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			1.27720e+01
Coefficient B			1.13504e+00
Coefficient C			-5.33800e-04
Coefficient D			4.99000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	283.87	J/mol×K	273.00	Calculated Property
Cp,gas	349.72	J/mol×K	353.78	Calculated Property
Cp,gas	409.30	J/mol×K	434.56	Calculated Property
Cp,gas	462.76	J/mol×K	515.33	Calculated Property
Cp,gas	510.27	J/mol×K	596.11	Calculated Property
Cp,gas	551.97	J/mol×K	676.89	Calculated Property
Cp,gas	588.03	J/mol×K	757.67	Calculated Property
Cp,gas	618.60	J/mol×K	838.44	Calculated Property
Cp,gas	643.84	J/mol×K	919.22	Calculated Property
Cp,gas	663.91	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009642; 0.0001939]	Pa×s	[412.24; 634.23]	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			-1.15275e+01
Coefficient B			1.88941e+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.			412.24
Temperature range, max.			634.23
η	0.0009642	Pa×s	412.24	Calculated Property
η	0.0007444	Pa×s	436.91	Calculated Property
η	0.0005908	Pa×s	461.57	Calculated Property
η	0.0004800	Pa×s	486.24	Calculated Property
η	0.0003979	Pa×s	510.90	Calculated Property
η	0.0003356	Pa×s	535.57	Calculated Property
η	0.0002873	Pa×s	560.23	Calculated Property
η	0.0002492	Pa×s	584.90	Calculated Property
η	0.0002187	Pa×s	609.56	Calculated Property
η	0.0001939	Pa×s	634.23	Calculated Property

Similar Compounds

Find more compounds similar to 4-Methoxy-6-(4-methoxyphenethyl)-5,6-dihydro-2H-pyran-2-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

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