Chemical Properties of 4-Methyl-7-ethoxycoumarin (CAS 87-05-8)

InChI

InChI=1S/C12H12O3/c1-3-14-9-4-5-10-8(2)6-12(13)15-11(10)7-9/h4-7H,3H2,1-2H3

InChI Key

NKRISXMDKXBVRJ-UHFFFAOYSA-N

Formula

C12H12O3

SMILES

CCOc1ccc2c(C)cc(=O)oc2c1

Molecular Weight¹

204.22

CAS

87-05-8

Other Names

• 2H-1-Benzopyran-2-one, 7-ethoxy-4-methyl-
• 7-Ethoxy-4-methylcoumarin
• 7-ethoxy-4-methyl-2H-1-benzopyran-2-one
• 7-ethoxy-4-methyl-2H-benzopyran-2-one
• 7-ethoxy-4-methyl-2H-chromen-2-one
• Coumarin, 7-ethoxy-4-methyl-

• ω : Acentric Factor.
• 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).
• 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

Similar Compounds

Find more compounds similar to 4-Methyl-7-ethoxycoumarin.

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
• Standard molar enthalpies of formation in the crystalline phase of 7-hydroxy-4-methylcoumarin, 7-ethoxy-4-methylcoumarin, and 6-methoxy-4-methylcoumarin
• McGowan Method
• NIST Webbook

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