Chemical Properties of 9,10-Anthracenedione, 1,5-dihydroxy-

InChI

InChI=1S/C14H8O4/c15-9-5-1-3-7-11(9)14(18)8-4-2-6-10(16)12(8)13(7)17/h1-6,15-16H

InChI Key

JPICKYUTICNNNJ-UHFFFAOYSA-N

Formula

C14H8O4

SMILES

O=C1c2cccc(O)c2C(=O)c2cccc(O)c21

Molecular Weight¹

240.21

Other Names

• 1,5-Dihydroxy-9,10-anthracenedione
• 1,5-Dihydroxy-9,10-anthraquinone
• 1,5-Dihydroxyanthrachinon
• 1,5-Dihydroxyanthraquinone
• Anthraquinone, 1,5-dihydroxy-
• Anthrarufin

• 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 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	[111.30; 126.80]	kJ/mol	[398.00; 456.00]
ΔsubH	126.80	kJ/mol	398.00	NIST
ΔsubH	111.30	kJ/mol	456.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[218.76; 512.87]	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			-4.50900e+01
Coefficient B			1.21660e+00
Coefficient C			-1.01284e-03
Coefficient D			3.54200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	218.76	J/mol×K	273.00	Calculated Property
Cp,gas	274.23	J/mol×K	353.78	Calculated Property
Cp,gas	321.39	J/mol×K	434.56	Calculated Property
Cp,gas	361.36	J/mol×K	515.33	Calculated Property
Cp,gas	395.26	J/mol×K	596.11	Calculated Property
Cp,gas	424.20	J/mol×K	676.89	Calculated Property
Cp,gas	449.32	J/mol×K	757.67	Calculated Property
Cp,gas	471.72	J/mol×K	838.44	Calculated Property
Cp,gas	492.53	J/mol×K	919.22	Calculated Property
Cp,gas	512.87	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 9,10-Anthracenedione, 1,5-dihydroxy-.

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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