Chemical Properties of Dibenzanthrone

InChI

InChI=1S/C34H16O2/c35-33-25-7-3-1-5-17(25)19-9-11-21-22-12-10-20-18-6-2-4-8-26(18)34(36)28-16-14-24(30(22)32(20)28)23-13-15-27(33)31(19)29(21)23/h1-16H

InChI Key

YKSGNOMLAIJTLT-UHFFFAOYSA-N

Formula

C34H16O2

SMILES

O=C1c2ccccc2-c2ccc3c4ccc5c6c(ccc(c7ccc1c2c73)c64)C(=O)c1ccccc1-5

Molecular Weight¹

456.50

Other Names

• Dibenzanthrone (violanthrone)

• 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_subH : Enthalpy of sublimation at a given temperature (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_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 vaporization at standard conditions, 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
ΔsubH	[202.90; 208.80]	kJ/mol	[530.50; 542.00]
ΔsubH	208.80	kJ/mol	530.50	NIST
ΔsubH	202.90	kJ/mol	542.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[411.10; 992.39]	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			-1.43370e+02
Coefficient B			2.57860e+00
Coefficient C			-2.21724e-03
Coefficient D			7.74400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	411.10	J/mol×K	273.00	Calculated Property
Cp,gas	525.66	J/mol×K	353.78	Calculated Property
Cp,gas	622.02	J/mol×K	434.56	Calculated Property
Cp,gas	702.62	J/mol×K	515.33	Calculated Property
Cp,gas	769.91	J/mol×K	596.11	Calculated Property
Cp,gas	826.33	J/mol×K	676.89	Calculated Property
Cp,gas	874.34	J/mol×K	757.67	Calculated Property
Cp,gas	916.39	J/mol×K	838.44	Calculated Property
Cp,gas	954.92	J/mol×K	919.22	Calculated Property
Cp,gas	992.39	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Dibenzanthrone.

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)
• 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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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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