Chemical Properties of 1H-2-Benzopyran-1-one, 3,4-dihydro-8-hydroxy-6-methoxy-3-methyl-, (R)- (CAS 13410-15-6)

InChI

InChI=1S/C11H12O4/c1-6-3-7-4-8(14-2)5-9(12)10(7)11(13)15-6/h4-6,12H,3H2,1-2H3/t6-/m0/s1

InChI Key

AIFNAMVERSBWPS-LURJTMIESA-N

Formula

C11H12O4

SMILES

COc1cc(O)c2c(c1)CC(C)OC2=O

Molecular Weight¹

208.21

CAS

13410-15-6

Other Names

• Isocoumarin, 3,4-dihydro-8-hydroxy-6-methoxy-3-methyl-, (R)-(-)-
• (-)-6-Methoxymellein
• 6-Methoxymellein

• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[420.47; 490.72]	J/mol×K	[696.54; 942.94]
Cp,gas	420.47	J/mol×K	696.54	Joback Calculated Property
Cp,gas	434.24	J/mol×K	737.61	Joback Calculated Property
Cp,gas	447.12	J/mol×K	778.67	Joback Calculated Property
Cp,gas	459.16	J/mol×K	819.74	Joback Calculated Property
Cp,gas	470.40	J/mol×K	860.81	Joback Calculated Property
Cp,gas	480.91	J/mol×K	901.88	Joback Calculated Property
Cp,gas	490.72	J/mol×K	942.94	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1H-2-Benzopyran-1-one, 3,4-dihydro-8-hydroxy-6-methoxy-3-methyl-, (R)-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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