Chemical Properties of 2H-Pyran-2-one, 5,6-dihydro-4-methoxy-6-(2-phenylethenyl)-, [R-(E)]- (CAS 500-64-1)

InChI

InChI=1S/C14H14O3/c1-16-13-9-12(17-14(15)10-13)8-7-11-5-3-2-4-6-11/h2-8,10,12H,9H2,1H3/b8-7+/t12-/m0/s1

InChI Key

XEAQIWGXBXCYFX-GUOLPTJISA-N

Formula

C14H14O3

SMILES

COC1=CC(=O)OC(C=Cc2ccccc2)C1

Molecular Weight¹

230.26

CAS

500-64-1

Other Names

• 2H-Pyran-2-one, 5,6-dihydro-4-methoxy-6-styryl-, (R)-
• (+)-Kavain
• Gonosan
• Kavain
• Kawain
• 2H-Pyran-2-one, 5,6-dihydro-4-methoxy-6-styryl-, (+)-
• (R)-5,6-Dihydro-4-methoxy-6-styryl-2H-pyran-2-one
• NSC 112162
• [R-(E)]-5,6-dihydro-4-methoxy-6-styryl-2H-pyran-2-one
• (R,E)-4-Methoxy-6-styryl-5,6-dihydro-2H-pyran-2-one

• 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°	-9.30	kJ/mol	Joback Calculated Property
ΔfH°gas	-279.83	kJ/mol	Joback Calculated Property
ΔfusH°	27.60	kJ/mol	Joback Calculated Property
ΔvapH°	61.54	kJ/mol	Joback Calculated Property
log10WS	-3.11		Crippen Calculated Property
logPoct/wat	2.546		Crippen Calculated Property
McVol	178.210	ml/mol	McGowan Calculated Property
Pc	2646.11	kPa	Joback Calculated Property
Inp	[2271.90; 2271.90]
Inp	2271.90		NIST
Inp	2271.90		NIST
Tboil	691.44	K	Joback Calculated Property
Tc	941.90	K	Joback Calculated Property
Tfus	406.56	K	Joback Calculated Property
Vc	0.656	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[483.27; 567.59]	J/mol×K	[691.44; 941.90]
Cp,gas	483.27	J/mol×K	691.44	Joback Calculated Property
Cp,gas	500.71	J/mol×K	733.18	Joback Calculated Property
Cp,gas	516.77	J/mol×K	774.93	Joback Calculated Property
Cp,gas	531.47	J/mol×K	816.67	Joback Calculated Property
Cp,gas	544.83	J/mol×K	858.41	Joback Calculated Property
Cp,gas	556.87	J/mol×K	900.15	Joback Calculated Property
Cp,gas	567.59	J/mol×K	941.90	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2H-Pyran-2-one, 5,6-dihydro-4-methoxy-6-(2-phenylethenyl)-, [R-(E)]-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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