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

• 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

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

• 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.