Chemical Properties of Phenanthro[1,2-b]furan-10,11-dione, 1,6-dimethyl- (CAS 568-73-0)

InChI

InChI=1S/C18H12O3/c1-9-4-3-5-12-11(9)6-7-13-15(12)17(20)16(19)14-10(2)8-21-18(13)14/h3-8H,1-2H3

InChI Key

AIGAZQPHXLWMOJ-UHFFFAOYSA-N

Formula

C18H12O3

SMILES

Cc1coc2c1C(=O)C(=O)c1c-2ccc2c(C)cccc12

Molecular Weight¹

276.29

CAS

568-73-0

Other Names

• 1,6-Dimethylphenanthro[1,2-b]furan-10,11-dione
• Tanshinon I
• Tanshinone A
• Tanshinone I

• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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.

Temperature Dependent Properties

Similar Compounds

Find more compounds similar to Phenanthro[1,2-b]furan-10,11-dione, 1,6-dimethyl-.

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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