Chemical Properties of Anisindione

InChI

InChI=1S/C16H12O3/c1-19-11-8-6-10(7-9-11)14-15(17)12-4-2-3-5-13(12)16(14)18/h2-9,14H,1H3

InChI Key

XRCFXMGQEVUZFC-UHFFFAOYSA-N

Formula

C16H12O3

SMILES

COc1ccc(C2C(=O)c3ccccc3C2=O)cc1

Molecular Weight¹

252.27

Other Names

• 1,3-Indandione, 2-(p-methoxyphenyl)-
• 1H-Indene-1,3(2H)-dione, 2-(4-methoxyphenyl)-
• 2-(4-Methoxyphenyl)-1H-indene-1,3(2H)-dione
• 2-(p-Methoxyphenyl)-1,3-indandione
• 2-(p-Methoxyphenyl)indane-1,3-dione
• 2-p-Anisyl-1,3-indandione
• Andion
• Anisin indandione
• Miradon
• SPE 2792
• Unidone

• 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).
• P_c : Critical Pressure (kPa).
• 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 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[240.19; 598.15]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-2.75000e+00
Coefficient B			9.98120e-01
Coefficient C			-3.96120e-04
Coefficient D			-1.10000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	240.19	J/mol×K	273.00	Calculated Property
Cp,gas	300.74	J/mol×K	353.78	Calculated Property
Cp,gas	356.10	J/mol×K	434.56	Calculated Property
Cp,gas	406.27	J/mol×K	515.33	Calculated Property
Cp,gas	451.25	J/mol×K	596.11	Calculated Property
Cp,gas	491.03	J/mol×K	676.89	Calculated Property
Cp,gas	525.62	J/mol×K	757.67	Calculated Property
Cp,gas	555.00	J/mol×K	838.44	Calculated Property
Cp,gas	579.18	J/mol×K	919.22	Calculated Property
Cp,gas	598.15	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Anisindione.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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