Chemical Properties of Coumarin, 8-acetyl-7-hydroxy-4-methyl- (CAS 2555-29-5)

InChI

InChI=1S/C12H10O4/c1-6-5-10(15)16-12-8(6)3-4-9(14)11(12)7(2)13/h3-5,14H,1-2H3

InChI Key

WZOMQVFUPMLOGT-UHFFFAOYSA-N

Formula

C12H10O4

SMILES

CC(=O)c1c(O)ccc2c(C)cc(=O)oc12

Molecular Weight¹

218.21

CAS

2555-29-5

Other Names

• 8-Acetyl-7-hydroxy-4-methylcoumarin
• 4-Methyl-7-hydroxy-8-acetylcoumarin

• 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_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 Coumarin, 8-acetyl-7-hydroxy-4-methyl-.

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
• McGowan Method
• NIST Webbook

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