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).
• 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	33.64	kJ/mol	Joback Calculated Property
logPoct/wat	1.436		Crippen Calculated Property
McVol	188.380	ml/mol	McGowan Calculated Property
Inp	[2320.60; 2320.60]
Inp	2320.60		NIST
Inp	2320.60		NIST

Cheméo can also estimate Normal Boiling Point Temperature, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[540.93; 607.45]	J/mol×K	[729.90; 934.65]
Cp,gas	540.93	J/mol×K	729.90	Joback Calculated Property
Cp,gas	554.30	J/mol×K	764.03	Joback Calculated Property
Cp,gas	566.72	J/mol×K	798.15	Joback Calculated Property
Cp,gas	578.22	J/mol×K	832.28	Joback Calculated Property
Cp,gas	588.83	J/mol×K	866.40	Joback Calculated Property
Cp,gas	598.57	J/mol×K	900.53	Joback Calculated Property
Cp,gas	607.45	J/mol×K	934.65	Joback Calculated Property
η	[0.0000601; 0.0014451]	Pa×s	[422.80; 729.90]
η	0.0014451	Pa×s	422.80	Joback Calculated Property
η	0.0006388	Pa×s	473.98	Joback Calculated Property
η	0.0003311	Pa×s	525.17	Joback Calculated Property
η	0.0001928	Pa×s	576.35	Joback Calculated Property
η	0.0001227	Pa×s	627.53	Joback Calculated Property
η	0.0000835	Pa×s	678.72	Joback Calculated Property
η	0.0000601	Pa×s	729.90	Joback Calculated Property

Similar Compounds

Find more compounds similar to 5-Hydroxy-4-methoxy-6-phenethyl-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

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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