Chemical Properties of Benz(a)anthracene-7,12-dione (CAS 2498-66-0)

InChI

InChI=1S/C18H10O2/c19-17-13-7-3-4-8-14(13)18(20)16-12-6-2-1-5-11(12)9-10-15(16)17/h1-10H

InChI Key

LHMRXAIRPKSGDE-UHFFFAOYSA-N

Formula

C18H10O2

SMILES

O=C1c2ccccc2C(=O)c2c1ccc1ccccc21

Molecular Weight¹

258.27

CAS

2498-66-0

Other Names

• Benzanthracene-7,12-dione
• Benzanthraquinone
• Benz[a]anthra-7,12-quinone
• Benz[a]anthracene-7,12-quinone
• C.I. 59000
• Sirius Yellow G
• 1,2-Benzanthraquinone
• 1,2-Benzo-9,10-anthraquinone
• 1,2-Benzoanthraquinone
• NSC 7961
• Benzo[a]anthracene-7,12-dione
• Benza(a)anthraquinone
• 7,12-Benz[a]anthracenequinone
• Benz[a]anthraquinone
• Benz[a]anthraquinone-7,12

• 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_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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	-8279.83	kJ/mol	NIST
ΔfG°	238.64	kJ/mol	Joback Calculated Property
ΔfH°gas	38.77	kJ/mol	Joback Calculated Property
ΔfusH°	24.49	kJ/mol	Joback Calculated Property
ΔsubH°	82.80	kJ/mol	NIST
ΔvapH°	72.38	kJ/mol	Joback Calculated Property
log10WS	-5.44		Crippen Calculated Property
logPoct/wat	3.615		Crippen Calculated Property
McVol	189.780	ml/mol	McGowan Calculated Property
Pc	2841.41	kPa	Joback Calculated Property
Inp	[416.46; 2520.00]
Inp	2479.00		NIST
Inp	2520.00		NIST
Inp	419.09		NIST
Inp	429.37		NIST
Inp	417.89		NIST
Inp	417.26		NIST
Inp	416.46		NIST
Inp	416.80		NIST
Inp	417.46		NIST
Inp	417.90		NIST
Inp	2520.00		NIST
Inp	416.80		NIST
Inp	2479.00		NIST
Tboil	841.30	K	Joback Calculated Property
Tc	1121.29	K	Joback Calculated Property
Tfus	577.86	K	Joback Calculated Property
Vc	0.730	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[538.79; 605.06]	J/mol×K	[841.30; 1121.29]
Cp,gas	538.79	J/mol×K	841.30	Joback Calculated Property
Cp,gas	552.45	J/mol×K	887.97	Joback Calculated Property
Cp,gas	564.92	J/mol×K	934.63	Joback Calculated Property
Cp,gas	576.29	J/mol×K	981.30	Joback Calculated Property
Cp,gas	586.69	J/mol×K	1027.96	Joback Calculated Property
Cp,gas	596.25	J/mol×K	1074.63	Joback Calculated Property
Cp,gas	605.06	J/mol×K	1121.29	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benz(a)anthracene-7,12-dione.

Sources

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

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