Chemical Properties of Danthron (CAS 117-10-2)

InChI

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

InChI Key

QBPFLULOKWLNNW-UHFFFAOYSA-N

Formula

C14H8O4

SMILES

O=C1c2cccc(O)c2C(=O)c2c(O)cccc21

Molecular Weight¹

240.21

CAS

117-10-2

Other Names

• 1,8-Dihydroxy-9,10-anthracenedione
• 1,8-Dihydroxy-9,10-anthraquinone
• 1,8-Dihydroxyanthrachinon
• 1,8-dihydroxyanthraquinone
• 9,10-Anthracenedione, 1,8-dihydroxy-
• Altan
• Antrapurol
• Chrysazin
• Criasazin
• Danivac
• Dantron
• Dantrone
• Diaquone
• Dionone
• Dorbane
• Duolax
• Istin
• Istizin
• LTAN
• Laxanorm
• Laxanthreen
• Laxipur
• Laxipurin
• Modane
• NSC 38626
• NSC 646568
• Prugol
• Roydan
• USAF ND-59
• Zwitsalax
• anthraquinone, 1,8-dihydroxy-

• 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).
• T_triple : Triple Point Temperature (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	[106.00; 123.00]	kJ/mol	[368.00; 404.00]
ΔsubH	123.00	kJ/mol	368.00	NIST
ΔsubH	106.00 ± 8.00	kJ/mol	404.00	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 Danthron.

Mixtures

• Acetone + Danthron
• Acetonitrile + Danthron
• 1-Butanol + Danthron
• Toluene + Danthron

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
• Solid Forms, Crystal Habits, and Solubility of Danthron
• Joback Method
• Aqueous and cosolvent solubility data for drug-like organic compounds
• 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.
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