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

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.6652		Relay (1.0) Calculated Property
ΔfG°	-195.73	kJ/mol	Joback Calculated Property
ΔfH°gas	-540.39	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	30.79	kJ/mol	Joback Calculated Property
ΔvapH°	108.88	kJ/mol	Relay (1.0) Calculated Property
IE	8.27	eV	Relay (1.0) Calculated Property
log10WS	-3.63		Relay (1.0) Calculated Property
logPoct/wat	2.474		Crippen Calculated Property
McVol	202.470	ml/mol	McGowan Calculated Property
Pc	2216.62	kPa	Joback Calculated Property
Inp	[2439.00; 2439.00]
Inp	2439.00		NIST
Inp	2439.00		NIST
Tboil	649.97	K	Relay (1.0) Calculated Property
Tc	848.69	K	Relay (1.0) Calculated Property
Tfus	329.92	K	Relay (1.0) Calculated Property
Vc	0.734	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[586.99; 671.11]	J/mol×K	[737.56; 970.63]
Cp,gas	586.99	J/mol×K	737.56	Joback Calculated Property
Cp,gas	604.50	J/mol×K	776.41	Joback Calculated Property
Cp,gas	620.65	J/mol×K	815.25	Joback Calculated Property
Cp,gas	635.41	J/mol×K	854.10	Joback Calculated Property
Cp,gas	648.76	J/mol×K	892.94	Joback Calculated Property
Cp,gas	660.67	J/mol×K	931.79	Joback Calculated Property
Cp,gas	671.11	J/mol×K	970.63	Joback 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)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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