Chemical Properties of 5-Hydroxy-4-methoxy-6-phenethyl-5,6-dihydro-2H-pyran-2-one (CAS 78376-49-5)

InChI

InChI=1S/C14H16O4/c1-17-12-9-13(15)18-11(14(12)16)8-7-10-5-3-2-4-6-10/h2-6,9,11,14,16H,7-8H2,1H3

InChI Key

VJCNEDVMYQCMBK-UHFFFAOYSA-N

Formula

C14H16O4

SMILES

COC1=CC(=O)OC(CCc2ccccc2)C1O

Molecular Weight¹

248.27

CAS

78376-49-5

• 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).
• 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
ΔfG°	-234.05	kJ/mol	Joback Calculated Property
ΔfH°gas	-569.62	kJ/mol	Joback Calculated Property
ΔfusH°	32.56	kJ/mol	Joback Calculated Property
ΔvapH°	77.95	kJ/mol	Joback Calculated Property
log10WS	-2.47		Crippen Calculated Property
logPoct/wat	1.436		Crippen Calculated Property
McVol	188.380	ml/mol	McGowan Calculated Property
Pc	2665.27	kPa	Joback Calculated Property
Inp	[2320.60; 2320.60]
Inp	2320.60		NIST
Inp	2320.60		NIST
Tboil	774.79	K	Joback Calculated Property
Tc	997.05	K	Joback Calculated Property
Tfus	468.22	K	Joback Calculated Property
Vc	0.695	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[567.16; 635.68]	J/mol×K	[774.79; 997.05]
Cp,gas	567.16	J/mol×K	774.79	Joback Calculated Property
Cp,gas	581.60	J/mol×K	811.83	Joback Calculated Property
Cp,gas	594.85	J/mol×K	848.88	Joback Calculated Property
Cp,gas	606.89	J/mol×K	885.92	Joback Calculated Property
Cp,gas	617.71	J/mol×K	922.96	Joback Calculated Property
Cp,gas	627.31	J/mol×K	960.00	Joback Calculated Property
Cp,gas	635.68	J/mol×K	997.05	Joback Calculated Property

Similar Compounds

Find more compounds similar to 5-Hydroxy-4-methoxy-6-phenethyl-5,6-dihydro-2H-pyran-2-one.

Sources

• 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.