Chemical Properties of 6-t-Butyl-4-methylcoumarin

InChI

InChI=1S/C14H16O2/c1-9-7-13(15)16-12-6-5-10(8-11(9)12)14(2,3)4/h5-8H,1-4H3

InChI Key

BVQZHRREUVIRFZ-UHFFFAOYSA-N

Formula

C14H16O2

SMILES

Cc1cc(=O)oc2ccc(C(C)(C)C)cc12

Molecular Weight¹

216.28

Other Names

• 6-t-Butyl-4-methylcoumarin

• 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation 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 6-t-Butyl-4-methylcoumarin.

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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