Chemical Properties of 9H-Fluoren-9-one (CAS 486-25-9)

InChI

InChI=1S/C13H8O/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8H

InChI Key

YLQWCDOCJODRMT-UHFFFAOYSA-N

Formula

C13H8O

SMILES

O=C1c2ccccc2-c2ccccc21

Molecular Weight¹

180.20

CAS

486-25-9

Other Names

• 9(9H)-fluorenone
• 9-fluorenone
• 9H-Fluorene-9-one
• Fluoren-9-one
• Fluorenone

• ω : Acentric Factor.
• 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_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).
• I_np : Non-polar retention indices.
• I : 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
ω	0.5294		Relay (1.0) Calculated Property
ΔcH°solid	-6222.80 ± 2.10	kJ/mol	NIST
ΔfG°	234.21	kJ/mol	Joback Calculated Property
ΔfH°gas	52.30 ± 2.30	kJ/mol	NIST
ΔfH°solid	-36.10 ± 2.30	kJ/mol	NIST
ΔfusH°	[16.36; 17.60]	kJ/mol
ΔfusH°	16.36	kJ/mol	Thermodynamic properties of 9-fluorenone: Mutual validation of experimental and computational results
ΔfusH°	17.60	kJ/mol	Experimental and Computational Study of the Thermodynamic Properties of 9-Fluorenone and 9-Fluorenol
ΔsubH°	[88.40; 93.90]	kJ/mol
ΔsubH°	93.90 ± 1.80	kJ/mol	NIST
ΔsubH°	88.40 ± 0.40	kJ/mol	NIST
ΔsubH°	88.40	kJ/mol	NIST
ΔsubH°	88.40 ± 0.40	kJ/mol	NIST
ΔvapH°	85.65	kJ/mol	Relay (1.0) Calculated Property
IE	[8.29; 8.36]	eV
IE	8.29	eV	NIST
IE	8.36 ± 0.03	eV	NIST
IE	8.36 ± 0.02	eV	NIST
log10WS	-4.63		Relay (1.0) Calculated Property
logPoct/wat	2.898		Crippen Calculated Property
McVol	137.220	ml/mol	McGowan Calculated Property
Pc	3517.91	kPa	Joback Calculated Property
Inp	[290.24; 1752.00]
Inp	1705.00		NIST
Inp	1752.00		NIST
Inp	1663.00		NIST
Inp	1746.00		NIST
Inp	1693.00		NIST
Inp	1702.00		NIST
Inp	1752.00		NIST
Inp	1752.00		NIST
Inp	1705.00		NIST
Inp	1705.00		NIST
Inp	294.30		NIST
Inp	294.03		NIST
Inp	293.64		NIST
Inp	293.70		NIST
Inp	294.30		NIST
Inp	294.49		NIST
Inp	293.88		NIST
Inp	293.09		NIST
Inp	294.79		NIST
Inp	294.50		NIST
Inp	293.70		NIST
Inp	290.24		NIST
Inp	292.60		NIST
Inp	291.28		NIST
Inp	293.60		NIST
Inp	294.13		NIST
Inp	294.79		NIST
Inp	293.60		NIST
Inp	294.30		NIST
Inp	294.49		NIST
Inp	1663.00		NIST
I	[2697.00; 2697.00]
I	2697.00		NIST
I	2697.00		NIST
Tboil	614.70	K	NIST
Tc	898.35	K	Relay (1.0) Calculated Property
Tfus	[355.00; 357.15]	K
Tfus	357.15 ± 2.00	K	NIST
Tfus	355.00 ± 4.00	K	NIST
Vc	0.522	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[329.11; 395.47]	J/mol×K	[630.85; 892.23]
Cp,gas	329.11	J/mol×K	630.85	Joback Calculated Property
Cp,gas	342.59	J/mol×K	674.41	Joback Calculated Property
Cp,gas	354.95	J/mol×K	717.98	Joback Calculated Property
Cp,gas	366.32	J/mol×K	761.54	Joback Calculated Property
Cp,gas	376.79	J/mol×K	805.11	Joback Calculated Property
Cp,gas	386.47	J/mol×K	848.67	Joback Calculated Property
Cp,gas	395.47	J/mol×K	892.23	Joback Calculated Property
ΔfusH	[14.85; 18.12]	kJ/mol	[353.30; 356.40]
ΔfusH	14.85	kJ/mol	353.30	NIST
ΔfusH	18.12	kJ/mol	356.40	NIST
ΔfusH	18.12	kJ/mol	356.40	NIST
ΔsubH	87.60 ± 0.30	kJ/mol	319.00	NIST
ΔvapH	[57.90; 60.90]	kJ/mol	[435.00; 595.00]
ΔvapH	60.90	kJ/mol	435.00	NIST
ΔvapH	59.80	kJ/mol	475.00	NIST
ΔvapH	59.10	kJ/mol	525.00	NIST
ΔvapH	58.60	kJ/mol	565.00	NIST
ΔvapH	57.90	kJ/mol	595.00	NIST
Psub	[1.21e-05; 9.52e-04]	kPa	[300.80; 342.80]
Psub	1.21e-05	kPa	300.80	Vapor pressures and sublimation enthalpies of seven heteroatomic aromatic hydrocarbons measured using the Knudsen effusion technique
Psub	1.69e-05	kPa	303.60	Vapor pressures and sublimation enthalpies of seven heteroatomic aromatic hydrocarbons measured using the Knudsen effusion technique
Psub	2.79e-05	kPa	307.90	Vapor pressures and sublimation enthalpies of seven heteroatomic aromatic hydrocarbons measured using the Knudsen effusion technique
Psub	3.65e-05	kPa	309.80	Vapor pressures and sublimation enthalpies of seven heteroatomic aromatic hydrocarbons measured using the Knudsen effusion technique
Psub	5.10e-05	kPa	313.00	Vapor pressures and sublimation enthalpies of seven heteroatomic aromatic hydrocarbons measured using the Knudsen effusion technique
Psub	5.09e-05	kPa	313.10	Vapor pressures and sublimation enthalpies of seven heteroatomic aromatic hydrocarbons measured using the Knudsen effusion technique
Psub	6.16e-05	kPa	315.10	Vapor pressures and sublimation enthalpies of seven heteroatomic aromatic hydrocarbons measured using the Knudsen effusion technique
Psub	1.39e-04	kPa	323.00	Vapor pressures and sublimation enthalpies of seven heteroatomic aromatic hydrocarbons measured using the Knudsen effusion technique
Psub	1.43e-04	kPa	323.10	Vapor pressures and sublimation enthalpies of seven heteroatomic aromatic hydrocarbons measured using the Knudsen effusion technique
Psub	1.59e-04	kPa	324.50	Vapor pressures and sublimation enthalpies of seven heteroatomic aromatic hydrocarbons measured using the Knudsen effusion technique
Psub	1.67e-04	kPa	324.70	Vapor pressures and sublimation enthalpies of seven heteroatomic aromatic hydrocarbons measured using the Knudsen effusion technique
Psub	2.46e-04	kPa	328.40	Vapor pressures and sublimation enthalpies of seven heteroatomic aromatic hydrocarbons measured using the Knudsen effusion technique
Psub	2.45e-04	kPa	328.60	Vapor pressures and sublimation enthalpies of seven heteroatomic aromatic hydrocarbons measured using the Knudsen effusion technique
Psub	3.11e-04	kPa	330.90	Vapor pressures and sublimation enthalpies of seven heteroatomic aromatic hydrocarbons measured using the Knudsen effusion technique
Psub	3.19e-04	kPa	331.10	Vapor pressures and sublimation enthalpies of seven heteroatomic aromatic hydrocarbons measured using the Knudsen effusion technique
Psub	3.45e-04	kPa	331.90	Vapor pressures and sublimation enthalpies of seven heteroatomic aromatic hydrocarbons measured using the Knudsen effusion technique
Psub	5.28e-04	kPa	336.50	Vapor pressures and sublimation enthalpies of seven heteroatomic aromatic hydrocarbons measured using the Knudsen effusion technique
Psub	5.40e-04	kPa	336.60	Vapor pressures and sublimation enthalpies of seven heteroatomic aromatic hydrocarbons measured using the Knudsen effusion technique
Psub	5.96e-04	kPa	337.80	Vapor pressures and sublimation enthalpies of seven heteroatomic aromatic hydrocarbons measured using the Knudsen effusion technique
Psub	5.99e-04	kPa	337.90	Vapor pressures and sublimation enthalpies of seven heteroatomic aromatic hydrocarbons measured using the Knudsen effusion technique
Psub	9.37e-04	kPa	342.70	Vapor pressures and sublimation enthalpies of seven heteroatomic aromatic hydrocarbons measured using the Knudsen effusion technique
Psub	9.52e-04	kPa	342.80	Vapor pressures and sublimation enthalpies of seven heteroatomic aromatic hydrocarbons measured using the Knudsen effusion technique

Similar Compounds

Find more compounds similar to 9H-Fluoren-9-one.

Mixtures

• Undecane + 9H-Fluoren-9-one
• 9H-Fluoren-9-one + Cyclohexane, (1,1-dimethylethyl)-
• 9H-Fluoren-9-one + Ethyl ether
• Dibenzofuran + 9H-Fluoren-9-one
• 9H-Fluoren-9-one + Fluorene
• 9H-Fluoren-9-one + Acenaphthene
• 9H-Fluoren-9-one + Carbazole
• Anthracene + 9H-Fluoren-9-one
• Ethanol + 9H-Fluoren-9-one
• 9H-Fluoren-9-one + 1-Butanol
• 9H-Fluoren-9-one + Ethyl Acetate
• Toluene + 9H-Fluoren-9-one
• Diisopropyl ether + 9H-Fluoren-9-one
• 9H-Fluoren-9-one + Carbon Tetrachloride
• Dibenzofuran + Ethanol + 9H-Fluoren-9-one
• Ethanol + 9H-Fluoren-9-one + Fluorene
• Ethanol + 9H-Fluoren-9-one + Acenaphthene

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Solubility of 9-fluorenone, thianthrene and xanthene in organic solvents
• Solid-liquid phase equilibrium of 9-fluorenone and several polynuclear aromatic hydrocarbons
• Vapor pressures and sublimation enthalpies of seven heteroatomic aromatic hydrocarbons measured using the Knudsen effusion technique
• Thermodynamic properties of 9-fluorenone: Mutual validation of experimental and computational results
• Solid Liquid Phase Equilibrium and Solubility of Dibenzo[b,d]furan and 9H-Fluoren-9-one in Organic Solvents
• Experimental and Computational Study of the Thermodynamic Properties of 9-Fluorenone and 9-Fluorenol
• Joback Method
• McGowan Method
• NIST Webbook

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