Chemical Properties of 9,10-Phenanthrenedione (CAS 84-11-7)

InChI

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

InChI Key

YYVYAPXYZVYDHN-UHFFFAOYSA-N

Formula

C14H8O2

SMILES

O=C1C(=O)c2ccccc2-c2ccccc21

Molecular Weight¹

208.21

CAS

84-11-7

Other Names

• 9,10-Phenanthraquinone
• 9,10-Phenanthroquinone
• 9,10-phenanthrenequinone
• Phenanthraquinone
• Phenanthroquinone
• phenanthrene, 9,10-dihydro-9,10-dioxo-
• phenanthrenequinone

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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	[-6497.80; -6421.16]	kJ/mol
ΔcH°solid	-6497.80 ± 1.60	kJ/mol	NIST
ΔcH°solid	-6421.16	kJ/mol	NIST
ΔcH°solid	-6460.10	kJ/mol	NIST
ΔfH°gas	-46.60 ± 2.80	kJ/mol	NIST
ΔfH°solid	-154.70 ± 2.40	kJ/mol	NIST
ΔfusH°	17.50	kJ/mol	Joback Calculated Property
ΔsubH°	[91.60; 108.10]	kJ/mol
ΔsubH°	108.10 ± 1.50	kJ/mol	NIST
ΔsubH°	108.10	kJ/mol	NIST
ΔsubH°	91.60	kJ/mol	NIST
ΔvapH°	90.50	kJ/mol	Relay (1.0) Calculated Property
IE	8.64 ± 0.03	eV	NIST
log10WS	-4.41		Relay (1.0) Calculated Property
logPoct/wat	2.733		Crippen Calculated Property
McVol	152.880	ml/mol	McGowan Calculated Property
Pc	3372.36	kPa	Joback Calculated Property
Inp	[360.30; 1935.00]
Inp	1935.00		NIST
Inp	362.70		NIST
Inp	362.04		NIST
Inp	360.30		NIST
Inp	362.70		NIST
Tboil	635.11	K	Relay (1.0) Calculated Property
Tc	933.37	K	Relay (1.0) Calculated Property
Tfus	[481.15; 482.65]	K
Tfus	482.65	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	481.15 ± 4.00	K	NIST
Vc	0.566	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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔsubH	[108.10; 132.00]	kJ/mol	[289.00; 383.00]
ΔsubH	108.10	kJ/mol	289.00	NIST
ΔsubH	132.00	kJ/mol	383.00	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

Similar Compounds

Find more compounds similar to 9,10-Phenanthrenedione.

Mixtures

• 9,10-Phenanthrenedione + 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
• Crippen Method
• Additive scheme for calculation of solvation enthalpies of heterocyclic aromatic compounds. Sublimation/vaporization enthalpy at 298.15 K
• Solubilities of Oxygenated Aromatic Solids in Pressurized Hot Water
• Joback Method
• McGowan Method
• NIST Webbook

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