Chemical Properties of 1,4-Anthracenedione (CAS 635-12-1)

InChI

InChI=1S/C14H8O2/c15-13-5-6-14(16)12-8-10-4-2-1-3-9(10)7-11(12)13/h1-8H

InChI Key

LSOTZYUVGZKSHR-UHFFFAOYSA-N

Formula

C14H8O2

SMILES

O=C1C=CC(=O)c2cc3ccccc3cc21

Molecular Weight¹

208.21

CAS

635-12-1

Other Names

• 1,4-Anthraquinone
• 1,4-Anthracenequinone

• 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_vapH° : Enthalpy of vaporization 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).
• 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
ΔfH°gas	-47.38	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.50	kJ/mol	Joback Calculated Property
ΔvapH°	94.67	kJ/mol	Relay (1.0) Calculated Property
IE	8.45 ± 0.02	eV	NIST
log10WS	-4.42		Relay (1.0) Calculated Property
logPoct/wat	2.775		Crippen Calculated Property
McVol	152.880	ml/mol	McGowan Calculated Property
Pc	3372.36	kPa	Joback Calculated Property
Inp	[328.50; 328.50]
Inp	328.50		NIST
Inp	328.50		NIST
Tboil	650.67	K	Relay (1.0) Calculated Property
Tc	939.52	K	Relay (1.0) Calculated Property
Tfus	490.81	K	Relay (1.0) Calculated Property
Vc	0.550	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[184.99; 468.03]	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			-2.72500e+01
Coefficient B			9.07400e-01
Coefficient C			-5.00120e-04
Coefficient D			8.80000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	184.99	J/mol×K	273.00	Calculated Property
Cp,gas	235.07	J/mol×K	353.78	Calculated Property
Cp,gas	279.85	J/mol×K	434.56	Calculated Property
Cp,gas	319.59	J/mol×K	515.33	Calculated Property
Cp,gas	354.59	J/mol×K	596.11	Calculated Property
Cp,gas	385.11	J/mol×K	676.89	Calculated Property
Cp,gas	411.43	J/mol×K	757.67	Calculated Property
Cp,gas	433.84	J/mol×K	838.44	Calculated Property
Cp,gas	452.62	J/mol×K	919.22	Calculated Property
Cp,gas	468.03	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 1,4-Anthracenedione.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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