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

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

• 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 a given temperature (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

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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