Chemical Properties of 2-(3,4-DIMETHOXYBENZYLIDENE)-1,3-INDANDIONE

InChI

InChI=1S/C18H14O4/c1-21-15-8-7-11(10-16(15)22-2)9-14-17(19)12-5-3-4-6-13(12)18(14)20/h3-10H,1-2H3

InChI Key

OVHSLRSKIAKFOH-UHFFFAOYSA-N

Formula

C18H14O4

SMILES

COc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1OC

Molecular Weight¹

294.31

Other Names

• 2-(3,4-Dimethoxybenzylidene)-1,3-indandione

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point 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 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 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	[641.80; 699.10]	J/mol×K	[878.07; 1135.01]
Cp,gas	641.80	J/mol×K	878.07	Joback Calculated Property
Cp,gas	655.32	J/mol×K	920.89	Joback Calculated Property
Cp,gas	667.26	J/mol×K	963.72	Joback Calculated Property
Cp,gas	677.63	J/mol×K	1006.54	Joback Calculated Property
Cp,gas	686.40	J/mol×K	1049.36	Joback Calculated Property
Cp,gas	693.56	J/mol×K	1092.18	Joback Calculated Property
Cp,gas	699.10	J/mol×K	1135.01	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-(3,4-DIMETHOXYBENZYLIDENE)-1,3-INDANDIONE.

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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