Chemical Properties of Anthralin (CAS 480-22-8)

InChI

InChI=1S/C14H10O3/c15-10-5-1-3-8-7-9-4-2-6-11(16)13(9)14(17)12(8)10/h1-7,15-17H

InChI Key

YUTJCNNFTOIOGT-UHFFFAOYSA-N

Formula

C14H10O3

SMILES

Oc1cccc2cc3cccc(O)c3c(O)c12

Molecular Weight¹

226.23

CAS

480-22-8

Other Names

• 1,8-Dihydroxy-9-anthrone
• 1,8-Dihydroxyanthranol
• 1,8-Dihydroxyanthrone
• 1,8-dihydroxyanthracen-9(10H)-one
• 9(10H)-Anthracenone, 1,8-dihydroxy-
• Anthra-derm
• Anthrone, 1,8-dihydroxy-
• Batidrol
• Batridol
• Chrysodermol
• Cignolin
• Cigthranol
• Dithranol
• DrithoCreme
• Drithoscalp
• Lasan
• NSC 43970
• NSC 629313
• Psodadrate
• Psoriacid-Stift
• Psoriacide

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion 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).
• 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[216.44; 505.73]	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			-1.19090e+02
Coefficient B			1.65180e+00
Coefficient C			-1.74448e-03
Coefficient D			7.17500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	216.44	J/mol×K	273.00	Calculated Property
Cp,gas	278.71	J/mol×K	353.78	Calculated Property
Cp,gas	328.16	J/mol×K	434.56	Calculated Property
Cp,gas	367.05	J/mol×K	515.33	Calculated Property
Cp,gas	397.65	J/mol×K	596.11	Calculated Property
Cp,gas	422.23	J/mol×K	676.89	Calculated Property
Cp,gas	443.06	J/mol×K	757.67	Calculated Property
Cp,gas	462.41	J/mol×K	838.44	Calculated Property
Cp,gas	482.54	J/mol×K	919.22	Calculated Property
Cp,gas	505.73	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006669; 0.0000003]	Pa×s	[451.65; 773.09]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-2.62524e+01
Coefficient B			8.55406e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			451.65
Temperature range, max.			773.09
η	0.0006669	Pa×s	451.65	Calculated Property
η	0.0001665	Pa×s	487.37	Calculated Property
η	0.0000502	Pa×s	523.08	Calculated Property
η	0.0000177	Pa×s	558.80	Calculated Property
η	0.0000070	Pa×s	594.51	Calculated Property
η	0.0000031	Pa×s	630.23	Calculated Property
η	0.0000015	Pa×s	665.94	Calculated Property
η	0.0000008	Pa×s	701.66	Calculated Property
η	0.0000004	Pa×s	737.37	Calculated Property
η	0.0000003	Pa×s	773.09	Calculated Property

Similar Compounds

Find more compounds similar to Anthralin.

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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