Chemical Properties of Perylene-1,12-quinone (CAS 5796-91-8)

InChI

InChI=1S/C20H10O2/c21-15-9-7-11-3-1-5-13-14-6-2-4-12-8-10-16(22)20(18(12)14)19(15)17(11)13/h1-10H

InChI Key

ODYASLOGAWBBOY-UHFFFAOYSA-N

Formula

C20H10O2

SMILES

O=c1ccc2cccc3c4cccc5ccc(=O)c(c1c23)c54

Molecular Weight¹

282.29

CAS

5796-91-8

• Δ_cH°_solid : Standard solid enthalpy of combustion (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

Cheméo can also estimate 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 Perylene-1,12-quinone.

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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