Chemical Properties of 5,8-Dihydro-2-phenyl-5,8-methano-1,4-naphthoquinone (CAS 93327-67-4)

InChI

InChI=1S/C17H12O2/c18-14-9-13(10-4-2-1-3-5-10)17(19)16-12-7-6-11(8-12)15(14)16/h1-7,9,11-12H,8H2

InChI Key

BKBUDOUPSBILIX-UHFFFAOYSA-N

Formula

C17H12O2

SMILES

O=C1C=C(c2ccccc2)C(=O)C2=C1C1C=CC2C1

Molecular Weight¹

248.28

CAS

93327-67-4

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (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

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[547.70; 625.19]	J/mol×K	[796.73; 1069.85]
Cp,gas	547.70	J/mol×K	796.73	Joback Calculated Property
Cp,gas	563.73	J/mol×K	842.25	Joback Calculated Property
Cp,gas	578.36	J/mol×K	887.77	Joback Calculated Property
Cp,gas	591.72	J/mol×K	933.29	Joback Calculated Property
Cp,gas	603.90	J/mol×K	978.81	Joback Calculated Property
Cp,gas	615.02	J/mol×K	1024.33	Joback Calculated Property
Cp,gas	625.19	J/mol×K	1069.85	Joback Calculated Property

Similar Compounds

Find more compounds similar to 5,8-Dihydro-2-phenyl-5,8-methano-1,4-naphthoquinone.

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
• Joback Method
• McGowan Method
• NIST Webbook

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