Chemical Properties of 2,5-Cyclohexadiene-1,4-dione, 2,5-bis(4-methoxyphenyl)- (CAS 5333-03-9)

InChI

InChI=1S/C20H16O4/c1-23-15-7-3-13(4-8-15)17-11-20(22)18(12-19(17)21)14-5-9-16(24-2)10-6-14/h3-12H,1-2H3

InChI Key

JZJYUHYPMJANNP-UHFFFAOYSA-N

Formula

C20H16O4

SMILES

COc1ccc(C2=CC(=O)C(c3ccc(OC)cc3)=CC2=O)cc1

Molecular Weight¹

320.34

CAS

5333-03-9

Other Names

• 2,5-Di-p-anisyl-1,4-benzoquinone

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Pressure, Critical Volume, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[735.18; 774.26]	J/mol×K	[933.50; 1199.33]
Cp,gas	735.18	J/mol×K	933.50	Joback Calculated Property
Cp,gas	747.63	J/mol×K	977.81	Joback Calculated Property
Cp,gas	757.79	J/mol×K	1022.11	Joback Calculated Property
Cp,gas	765.59	J/mol×K	1066.42	Joback Calculated Property
Cp,gas	770.97	J/mol×K	1110.72	Joback Calculated Property
Cp,gas	773.88	J/mol×K	1155.03	Joback Calculated Property
Cp,gas	774.26	J/mol×K	1199.33	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,5-Cyclohexadiene-1,4-dione, 2,5-bis(4-methoxyphenyl)-.

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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