Chemical Properties of 9,10-Anthracenedione, 1,4-dihydroxy- (CAS 81-64-1)

InChI

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

InChI Key

GUEIZVNYDFNHJU-UHFFFAOYSA-N

Formula

C14H8O4

SMILES

O=C1c2ccccc2C(=O)c2c(O)ccc(O)c21

Molecular Weight¹

240.21

CAS

81-64-1

Other Names

• Anthraquinone, 1,4-dihydroxy-
• C.I. 58050
• Chinizarin
• Quinizarin
• Quinizarine
• Smoke Orange R
• 1,4-Dihydroxy-9,10-anthraquinone
• 1,4-Dihydroxyanthraquinone
• Macrolex Orange GG
• Solvent Orange 86
• 1,4-Dihydroxyanthrachinon
• 1,4-Dioxyanthraquinone
• 1,4-Doa
• 1,4-Dihydroxy-9,10-anthracenedione
• NSC 15367
• NSC 646569

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase 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).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	-6057.40 ± 1.00	kJ/mol	NIST
ΔfG°	-201.30	kJ/mol	Joback Calculated Property
ΔfH°gas	-471.00 ± 2.30	kJ/mol	NIST
ΔfH°solid	-595.10 ± 1.40	kJ/mol	NIST
ΔfusH°	29.07	kJ/mol	Joback Calculated Property
ΔsubH°	[124.10; 124.10]	kJ/mol
ΔsubH°	124.10 ± 0.90	kJ/mol	NIST
ΔsubH°	124.10	kJ/mol	NIST
ΔvapH°	87.21	kJ/mol	Joback Calculated Property
IE	7.94 ± 0.03	eV	NIST
log10WS	-2.73		Crippen Calculated Property
logPoct/wat	1.873		Crippen Calculated Property
McVol	164.620	ml/mol	McGowan Calculated Property
Pc	4931.51	kPa	Joback Calculated Property
Inp	[360.00; 366.00]
Inp	360.00		NIST
Inp	365.29		NIST
Inp	366.00		NIST
Inp	360.00		NIST
Tboil	887.06	K	Joback Calculated Property
Tc	1170.41	K	Joback Calculated Property
Tfus	[472.71; 472.95]	K
Tfus	472.71 ± 0.35	K	NIST
Tfus	472.95 ± 0.25	K	NIST
Vc	0.515	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[484.36; 559.27]	J/mol×K	[887.06; 1170.41]
Cp,gas	484.36	J/mol×K	887.06	Joback Calculated Property
Cp,gas	496.32	J/mol×K	934.29	Joback Calculated Property
Cp,gas	508.20	J/mol×K	981.51	Joback Calculated Property
Cp,gas	520.20	J/mol×K	1028.74	Joback Calculated Property
Cp,gas	532.57	J/mol×K	1075.96	Joback Calculated Property
Cp,gas	545.52	J/mol×K	1123.19	Joback Calculated Property
Cp,gas	559.27	J/mol×K	1170.41	Joback Calculated Property
ΔsubH	[89.10; 123.50]	kJ/mol	[363.00; 513.00]
ΔsubH	115.30	kJ/mol	363.00	NIST
ΔsubH	102.40 ± 4.40	kJ/mol	363.00	NIST
ΔsubH	123.50	kJ/mol	376.00	NIST
ΔsubH	103.50 ± 1.30	kJ/mol	409.00	NIST
ΔsubH	121.90 ± 0.80	kJ/mol	428.50	NIST
ΔsubH	121.00 ± 4.00	kJ/mol	429.00	NIST
ΔsubH	89.10	kJ/mol	513.00	NIST
ΔvapH	74.00	kJ/mol	551.00	NIST

Similar Compounds

Find more compounds similar to 9,10-Anthracenedione, 1,4-dihydroxy-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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