Chemical Properties of Coumarin, 5-hydroxy- (CAS 6093-67-0)

InChI

InChI=1S/C9H6O3/c10-7-2-1-3-8-6(7)4-5-9(11)12-8/h1-5,10H

InChI Key

CDHSCTCRBLLCBJ-UHFFFAOYSA-N

Formula

C9H6O3

SMILES

O=c1ccc2c(O)cccc2o1

Molecular Weight¹

162.14

CAS

6093-67-0

• Δ_fH°_gas : Enthalpy of formation 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Find more compounds similar to Coumarin, 5-hydroxy-.

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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