Chemical Properties of Benzo[k]fluoranthene (CAS 207-08-9)

InChI

InChI=1S/C20H12/c1-2-6-15-12-19-17-10-4-8-13-7-3-9-16(20(13)17)18(19)11-14(15)5-1/h1-12H

InChI Key

HAXBIWFMXWRORI-UHFFFAOYSA-N

Formula

C20H12

SMILES

c1ccc2cc3c(cc2c1)-c1cccc2cccc-3c12

Molecular Weight¹

252.31

CAS

207-08-9

Other Names

• 11,12-benzofluoranthene
• 2,3,1',8'-binaphthylene
• 8,9-benzofluoranthene
• Benzo(k)fluoranthene
• dibenzo[b,jk]fluorene

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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_vap : Vapor 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	306.20 ± 6.20	kJ/mol	NIST
ΔfH°solid	172.40 ± 4.30	kJ/mol	NIST
ΔfusH°	26.50	kJ/mol	Solid vapor pressure for five heavy PAHs via the Knudsen effusion method
ΔsubH°	[124.20; 133.80]	kJ/mol
ΔsubH°	133.80 ± 4.50	kJ/mol	NIST
ΔsubH°	124.20 ± 4.70	kJ/mol	NIST
ΔvapH°	[105.50; 117.40]	kJ/mol
ΔvapH°	117.40 ± 1.10	kJ/mol	NIST
ΔvapH°	105.50 ± 1.50	kJ/mol	NIST
IE	7.30	eV	Relay (1.0) Calculated Property
log10WS	[-8.49; -8.49]
log10WS	-8.49		Aq. Solubility Prediction
log10WS	-8.49		Estimated Solubility
logPoct/wat	5.640		Crippen Calculated Property
McVol	195.360	ml/mol	McGowan Calculated Property
Pc	2608.40	kPa	Joback Calculated Property
Inp	[430.60; 2789.11]
Inp	2761.00		NIST
Inp	2702.00		NIST
Inp	2706.00		NIST
Inp	2722.00		NIST
Inp	2789.11		NIST
Inp	2780.00		NIST
Inp	2789.00		NIST
Inp	2781.00		NIST
Inp	2708.00		NIST
Inp	444.20		NIST
Inp	442.80		NIST
Inp	443.20		NIST
Inp	442.56		NIST
Inp	443.60		NIST
Inp	443.19		NIST
Inp	444.06		NIST
Inp	443.05		NIST
Inp	441.79		NIST
Inp	442.28		NIST
Inp	442.77		NIST
Inp	437.80		NIST
Inp	443.60		NIST
Inp	444.60		NIST
Inp	430.80		NIST
Inp	444.60		NIST
Inp	442.72		NIST
Inp	444.06		NIST
Inp	440.04		NIST
Inp	444.02		NIST
Inp	442.56		NIST
Inp	430.60		NIST
Inp	444.65		NIST
Inp	444.02		NIST
Inp	444.06		NIST
Inp	444.65		NIST
Inp	442.80		NIST
Inp	436.00		NIST
Inp	442.60		NIST
Inp	442.80		NIST
Inp	443.60		NIST
Inp	442.80		NIST
Inp	441.09		NIST
Inp	441.16		NIST
Inp	443.44		NIST
Inp	444.60		NIST
Inp	442.56		NIST
Inp	444.02		NIST
Inp	444.43		NIST
Inp	440.48		NIST
Inp	442.56		NIST
Inp	2789.00		NIST
Inp	2708.00		NIST
Inp	2722.00		NIST
Inp	430.60		NIST
Inp	442.80		NIST
Inp	442.56		NIST
Inp	2702.00		NIST
Inp	443.20		NIST
Inp	443.05		NIST
Inp	443.60		NIST
Inp	444.06		NIST
Inp	2761.00		NIST
Tboil	[753.00; 753.20]	K
Tboil	753.20	K	NIST
Tboil	753.00	K	NIST
Tc	1049.37	K	Relay (1.0) Calculated Property
Tfus	[489.65; 490.00]	K
Tfus	489.65	K	Aq. Solubility Prediction
Tfus	490.00	K	NIST
Vc	0.771	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
Cp,gas	[521.22; 597.08]	J/mol×K	[767.04; 1030.87]
Cp,gas	521.22	J/mol×K	767.04	Joback Calculated Property
Cp,gas	534.75	J/mol×K	811.01	Joback Calculated Property
Cp,gas	547.55	J/mol×K	854.98	Joback Calculated Property
Cp,gas	559.90	J/mol×K	898.96	Joback Calculated Property
Cp,gas	572.08	J/mol×K	942.93	Joback Calculated Property
Cp,gas	584.38	J/mol×K	986.90	Joback Calculated Property
Cp,gas	597.08	J/mol×K	1030.87	Joback Calculated Property
η	[0.0022891; 0.0032474]	Pa×s	[516.22; 767.04]
η	0.0032474	Pa×s	516.22	Joback Calculated Property
η	0.0029974	Pa×s	558.02	Joback Calculated Property
η	0.0027977	Pa×s	599.83	Joback Calculated Property
η	0.0026349	Pa×s	641.63	Joback Calculated Property
η	0.0024998	Pa×s	683.43	Joback Calculated Property
η	0.0023861	Pa×s	725.24	Joback Calculated Property
η	0.0022891	Pa×s	767.04	Joback Calculated Property
ΔfusH	[27.50; 32.40]	kJ/mol	[489.70; 490.60]
ΔfusH	32.40	kJ/mol	489.70	NIST
ΔfusH	27.50	kJ/mol	490.60	NIST
ΔsubH	130.00	kJ/mol	396.50	NIST
ΔvapH	88.50	kJ/mol	398.00	NIST
Pvap	[9.26e-09; 0.33]	kPa	[298.15; 510.00]
Pvap	9.26e-09	kPa	298.15	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	1.24e-08	kPa	300.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	5.70e-08	kPa	310.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	2.33e-07	kPa	320.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	8.57e-07	kPa	330.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	2.87e-06	kPa	340.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	8.78e-06	kPa	350.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	2.49e-05	kPa	360.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	6.55e-05	kPa	370.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	1.61e-04	kPa	380.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	3.74e-04	kPa	390.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	8.19e-04	kPa	400.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	1.70e-03	kPa	410.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	3.39e-03	kPa	420.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	6.45e-03	kPa	430.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	0.01	kPa	440.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	0.02	kPa	450.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	0.04	kPa	460.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	0.06	kPa	470.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	0.09	kPa	480.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	0.15	kPa	490.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	0.22	kPa	500.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	0.33	kPa	510.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons

Similar Compounds

Find more compounds similar to Benzo[k]fluoranthene.

Mixtures

• Benzo[k]fluoranthene + Water

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Solid vapor pressure for five heavy PAHs via the Knudsen effusion method
• Ionic Liquids/Water Distribution Ratios of Some Polycyclic Aromatic Hydrocarbons
• Determination of Henry's Law Constant Using Diffusion in Air and Water Boundary Layers
• Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook

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