Chemical Properties of 9,10-ANTHRACENEDIONE (CAS 84-65-1)

InChI

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

InChI Key

RZVHIXYEVGDQDX-UHFFFAOYSA-N

Formula

C14H8O2

SMILES

O=C1c2ccccc2C(=O)c2ccccc21

Molecular Weight¹

208.22

CAS

84-65-1

Other Names

• 9,10(9H,10H)-anthracenedione
• 9,10-Anthrachinon
• 9,10-anthracenequinone
• 9,10-anthraquinone
• 9,10-dioxoanthracene
• Anthracene, 9,10-dihydro-9,10-dioxo-
• Anthracene-9,10-quinone
• Anthradione
• Corbit
• Hoelite
• Morkit
• NSC 7957
• anthracene-9,10-dione
• anthraquinone

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase heat capacity (J/mol×K).
• EA : Electron affinity (eV).
• 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_fusH : Enthalpy of fusion at a given temperature (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).
• P_sub : Sublimation pressure (kPa).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• 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
ω	0.5927		Relay (1.0) Calculated Property
ΔcH°solid	[-6468.90; -6444.52]	kJ/mol
ΔcH°solid	-6464.00 ± 2.10	kJ/mol	NIST
ΔcH°solid	-6444.52	kJ/mol	NIST
ΔcH°solid	-6468.90	kJ/mol	NIST
ΔcH°solid	-6462.20	kJ/mol	NIST
EA	[1.15; 1.59]	eV
EA	1.59 ± 0.06	eV	NIST
EA	1.15 ± 0.10	eV	NIST
ΔfH°gas	-75.70 ± 2.90	kJ/mol	NIST
ΔfH°solid	-188.50 ± 2.80	kJ/mol	NIST
ΔfusH°	36.30	kJ/mol	Thermodynamic Study on the Sublimation of Anthracene-Like Compounds
ΔsubH°	[107.90; 137.00]	kJ/mol
ΔsubH°	110.90	kJ/mol	NIST
ΔsubH°	112.80	kJ/mol	NIST
ΔsubH°	113.00 ± 0.80	kJ/mol	NIST
ΔsubH°	Outlier 137.00 ± 3.00	kJ/mol	NIST
ΔsubH°	112.00	kJ/mol	NIST
ΔsubH°	112.10	kJ/mol	NIST
ΔsubH°	107.90	kJ/mol	NIST
ΔsubH°	108.00	kJ/mol	NIST
ΔvapH°	94.30	kJ/mol	Relay (1.0) Calculated Property
IE	[9.00; 9.40]	eV
IE	9.25 ± 0.12	eV	NIST
IE	Outlier 9.00	eV	NIST
IE	9.25	eV	NIST
IE	9.40 ± 0.08	eV	NIST
IE	9.25 ± 0.03	eV	NIST
IE	9.30	eV	NIST
log10WS	[-5.19; -5.19]
log10WS	-5.19		Aq. Solubility Prediction
log10WS	-5.19		Estimated Solubility
logPoct/wat	2.462		Crippen Calculated Property
McVol	152.880	ml/mol	McGowan Calculated Property
Pc	3372.36	kPa	Joback Calculated Property
Inp	[329.00; 1950.00]
Inp	1898.00		NIST
Inp	1950.00		NIST
Inp	1880.00		NIST
Inp	1904.00		NIST
Inp	1921.00		NIST
Inp	1927.00		NIST
Inp	1937.00		NIST
Inp	331.22		NIST
Inp	330.26		NIST
Inp	330.50		NIST
Inp	330.70		NIST
Inp	331.38		NIST
Inp	331.09		NIST
Inp	329.60		NIST
Inp	330.00		NIST
Inp	331.32		NIST
Inp	331.91		NIST
Inp	333.00		NIST
Inp	329.00		NIST
Inp	330.90		NIST
Inp	337.40		NIST
Inp	331.22		NIST
Inp	331.09		NIST
Tboil	[650.00; 653.20]	K
Tboil	653.20	K	NIST
Tboil	650.00 ± 0.30	K	NIST
Tboil	650.00 ± 0.30	K	NIST
Tc	934.27	K	Relay (1.0) Calculated Property
Tfus	[555.00; 558.35]	K
Tfus	558.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	557.96 ± 0.20	K	NIST
Tfus	558.15 ± 1.00	K	NIST
Tfus	558.35 ± 0.40	K	NIST
Tfus	557.78 ± 0.30	K	NIST
Tfus	557.85 ± 0.20	K	NIST
Tfus	558.07 ± 0.20	K	NIST
Tfus	557.75 ± 0.30	K	NIST
Tfus	557.97 ± 0.35	K	NIST
Tfus	557.75 ± 0.50	K	NIST
Tfus	Outlier 555.00 ± 1.00	K	NIST
Vc	0.569	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,solid	240.20	J/mol×K	298.15	NIST
ΔfusH	[32.57; 32.57]	kJ/mol	[555.00; 558.00]
ΔfusH	32.57	kJ/mol	555.00	NIST
ΔfusH	32.57	kJ/mol	555.00	NIST
ΔfusH	32.57	kJ/mol	558.00	NIST
ΔsubH	[98.30; 127.00]	kJ/mol	[367.00; 530.00]
ΔsubH	104.60	kJ/mol	367.00	NIST
ΔsubH	126.40	kJ/mol	373.00	NIST
ΔsubH	98.30	kJ/mol	413.00	NIST
ΔsubH	107.50 ± 0.80	kJ/mol	434.00	NIST
ΔsubH	107.90 ± 0.80	kJ/mol	434.00	NIST
ΔsubH	127.00 ± 3.00	kJ/mol	530.00	NIST
ΔvapH	64.30	kJ/mol	609.50	NIST
Psub	[4.49e-06; 0.49]	kPa	[346.00; 478.50]
Psub	4.49e-06	kPa	346.00	Vapor pressures and sublimation enthalpies of seven heteroatomic aromatic hydrocarbons measured using the Knudsen effusion technique
Psub	2.09e-05	kPa	359.90	Vapor pressures and sublimation enthalpies of seven heteroatomic aromatic hydrocarbons measured using the Knudsen effusion technique
Psub	2.20e-05	kPa	360.90	Vapor pressures and sublimation enthalpies of seven heteroatomic aromatic hydrocarbons measured using the Knudsen effusion technique
Psub	2.52e-05	kPa	362.70	Vapor pressures and sublimation enthalpies of seven heteroatomic aromatic hydrocarbons measured using the Knudsen effusion technique
Psub	4.10e-05	kPa	367.40	Vapor pressures and sublimation enthalpies of seven heteroatomic aromatic hydrocarbons measured using the Knudsen effusion technique
Psub	5.42e-05	kPa	369.90	Vapor pressures and sublimation enthalpies of seven heteroatomic aromatic hydrocarbons measured using the Knudsen effusion technique
Psub	1.19e-04	kPa	377.60	Vapor pressures and sublimation enthalpies of seven heteroatomic aromatic hydrocarbons measured using the Knudsen effusion technique
Psub	1.44e-04	kPa	379.20	Vapor pressures and sublimation enthalpies of seven heteroatomic aromatic hydrocarbons measured using the Knudsen effusion technique
Psub	1.49e-04	kPa	380.10	Vapor pressures and sublimation enthalpies of seven heteroatomic aromatic hydrocarbons measured using the Knudsen effusion technique
Psub	2.67e-04	kPa	385.40	Vapor pressures and sublimation enthalpies of seven heteroatomic aromatic hydrocarbons measured using the Knudsen effusion technique
Psub	2.63e-04	kPa	385.80	Vapor pressures and sublimation enthalpies of seven heteroatomic aromatic hydrocarbons measured using the Knudsen effusion technique
Psub	3.05e-04	kPa	386.80	Vapor pressures and sublimation enthalpies of seven heteroatomic aromatic hydrocarbons measured using the Knudsen effusion technique
Psub	4.93e-04	kPa	392.70	Vapor pressures and sublimation enthalpies of seven heteroatomic aromatic hydrocarbons measured using the Knudsen effusion technique
Psub	4.94e-04	kPa	392.80	Vapor pressures and sublimation enthalpies of seven heteroatomic aromatic hydrocarbons measured using the Knudsen effusion technique
Psub	5.19e-04	kPa	393.40	Vapor pressures and sublimation enthalpies of seven heteroatomic aromatic hydrocarbons measured using the Knudsen effusion technique
Psub	8.72e-04	kPa	399.20	Vapor pressures and sublimation enthalpies of seven heteroatomic aromatic hydrocarbons measured using the Knudsen effusion technique
Psub	9.48e-04	kPa	399.90	Vapor pressures and sublimation enthalpies of seven heteroatomic aromatic hydrocarbons measured using the Knudsen effusion technique
Psub	0.01	kPa	422.80	Fast scanning calorimetry: Sublimation thermodynamics of low volatile and thermally unstable compounds
Psub	0.02	kPa	427.70	Fast scanning calorimetry: Sublimation thermodynamics of low volatile and thermally unstable compounds
Psub	0.02	kPa	429.20	Fast scanning calorimetry: Sublimation thermodynamics of low volatile and thermally unstable compounds
Psub	0.02	kPa	432.20	Fast scanning calorimetry: Sublimation thermodynamics of low volatile and thermally unstable compounds
Psub	0.03	kPa	437.40	Fast scanning calorimetry: Sublimation thermodynamics of low volatile and thermally unstable compounds
Psub	0.04	kPa	439.10	Fast scanning calorimetry: Sublimation thermodynamics of low volatile and thermally unstable compounds
Psub	0.04	kPa	441.60	Fast scanning calorimetry: Sublimation thermodynamics of low volatile and thermally unstable compounds
Psub	0.05	kPa	447.20	Fast scanning calorimetry: Sublimation thermodynamics of low volatile and thermally unstable compounds
Psub	0.07	kPa	448.90	Fast scanning calorimetry: Sublimation thermodynamics of low volatile and thermally unstable compounds
Psub	0.08	kPa	451.00	Fast scanning calorimetry: Sublimation thermodynamics of low volatile and thermally unstable compounds
Psub	0.10	kPa	457.00	Fast scanning calorimetry: Sublimation thermodynamics of low volatile and thermally unstable compounds
Psub	0.15	kPa	458.80	Fast scanning calorimetry: Sublimation thermodynamics of low volatile and thermally unstable compounds
Psub	0.17	kPa	460.40	Fast scanning calorimetry: Sublimation thermodynamics of low volatile and thermally unstable compounds
Psub	0.20	kPa	466.70	Fast scanning calorimetry: Sublimation thermodynamics of low volatile and thermally unstable compounds
Psub	0.27	kPa	468.70	Fast scanning calorimetry: Sublimation thermodynamics of low volatile and thermally unstable compounds
Psub	0.25	kPa	469.80	Fast scanning calorimetry: Sublimation thermodynamics of low volatile and thermally unstable compounds
Psub	0.32	kPa	476.50	Fast scanning calorimetry: Sublimation thermodynamics of low volatile and thermally unstable compounds
Psub	0.49	kPa	478.50	Fast scanning calorimetry: Sublimation thermodynamics of low volatile and thermally unstable compounds
ΔfusS	58.70	J/mol×K	555.00	NIST

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

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[481.92; 691.90]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.75139e+01
Coefficient B			-8.78545e+03
Coefficient C			2.80780e+01
Temperature range, min.			481.92
Temperature range, max.			691.90
Pvap	1.33	kPa	481.92	Calculated Property
Pvap	2.83	kPa	505.25	Calculated Property
Pvap	5.65	kPa	528.58	Calculated Property
Pvap	10.66	kPa	551.91	Calculated Property
Pvap	19.15	kPa	575.24	Calculated Property
Pvap	32.93	kPa	598.58	Calculated Property
Pvap	54.46	kPa	621.91	Calculated Property
Pvap	86.99	kPa	645.24	Calculated Property
Pvap	134.67	kPa	668.57	Calculated Property
Pvap	202.65	kPa	691.90	Calculated Property
Pvap	[0.11; 102.45]	kPa	[463.00; 653.10]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.08140e+01
Coefficient B			-2.23473e+03
Coefficient C			-2.91767e+02
Reference			Stull, 1947
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			463.00
Temperature range, max.			653.10
Pvap	0.11	kPa	463.00	Calculated Property
Pvap	0.45	kPa	484.12	Calculated Property
Pvap	1.41	kPa	505.24	Calculated Property
Pvap	3.63	kPa	526.37	Calculated Property
Pvap	7.97	kPa	547.49	Calculated Property
Pvap	15.52	kPa	568.61	Calculated Property
Pvap	27.50	kPa	589.73	Calculated Property
Pvap	45.17	kPa	610.86	Calculated Property
Pvap	69.78	kPa	631.98	Calculated Property
Pvap	102.45	kPa	653.10	Calculated Property

Similar Compounds

Find more compounds similar to 9,10-ANTHRACENEDIONE.

Mixtures

• 9,10-ANTHRACENEDIONE + Water

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)
• Crippen Method
• Vapor pressures and sublimation enthalpies of seven heteroatomic aromatic hydrocarbons measured using the Knudsen effusion technique
• Additive scheme for calculation of solvation enthalpies of heterocyclic aromatic compounds. Sublimation/vaporization enthalpy at 298.15 K
• Fast scanning calorimetry: Sublimation thermodynamics of low volatile and thermally unstable compounds
• Thermodynamic Study on the Sublimation of Anthracene-Like Compounds
• Solubilities of Oxygenated Aromatic Solids in Pressurized Hot Water
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
These property values are available through the Cheméo API. A free account gives you an access key.