Chemical Properties of Benzo[b]fluoranthene (CAS 205-99-2)

InChI

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

InChI Key

FTOVXSOBNPWTSH-UHFFFAOYSA-N

Formula

C20H12

SMILES

c1ccc2c(c1)-c1cccc3c1c-2cc1ccccc13

Molecular Weight¹

252.31

CAS

205-99-2

Other Names

• 2,3-Benzfluoranthene
• 2,3-Benzofluoranthene
• 2,3-Benzofluoranthrene
• 205-99-2
• 3,4-Benz[e]acephenanthrylene
• 3,4-Benzfluoranthene
• 3,4-Benzofluoranthene
• 4,5-Benzofluoranthene
• B(b)F
• Benz[b]fluoranthene
• Benz[e]acephenanthrylene
• Benzo(b)fluoranthene
• Benzo[e]acephenanthrylene
• Benzo[e]fluoranthene
• NSC 89265

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : 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 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
ω	0.5868		Relay (1.0) Calculated Property
ΔfG°	621.88	kJ/mol	Joback Calculated Property
ΔfH°gas	360.35	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.30	kJ/mol	Solid vapor pressure for five heavy PAHs via the Knudsen effusion method
ΔvapH°	[104.00; 116.80]	kJ/mol
ΔvapH°	116.80 ± 1.60	kJ/mol	NIST
ΔvapH°	104.00 ± 1.50	kJ/mol	NIST
IE	7.33	eV	Relay (1.0) Calculated Property
log10WS	[-8.23; -8.23]
log10WS	-8.23		Aq. Solubility Prediction
log10WS	-8.23		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	[430.00; 2711.00]
Inp	Outlier 2694.00		NIST
Inp	Outlier 2700.00		NIST
Inp	Outlier 2700.00		NIST
Inp	Outlier 2671.00		NIST
Inp	Outlier 2711.00		NIST
Inp	Outlier 2705.00		NIST
Inp	443.90		NIST
Inp	442.10		NIST
Inp	442.60		NIST
Inp	441.74		NIST
Inp	442.10		NIST
Inp	443.19		NIST
Inp	443.11		NIST
Inp	442.34		NIST
Inp	440.81		NIST
Inp	441.76		NIST
Inp	441.80		NIST
Inp	442.63		NIST
Inp	443.65		NIST
Inp	430.00		NIST
Inp	444.00		NIST
Inp	443.11		NIST
Inp	439.51		NIST
Inp	443.13		NIST
Inp	441.74		NIST
Inp	433.90		NIST
Inp	448.07		NIST
Inp	443.93		NIST
Inp	448.07		NIST
Inp	443.11		NIST
Inp	443.13		NIST
Inp	443.93		NIST
Inp	442.70		NIST
Inp	435.40		NIST
Inp	440.11		NIST
Inp	441.70		NIST
Inp	442.10		NIST
Inp	442.70		NIST
Inp	442.10		NIST
Inp	440.37		NIST
Inp	440.37		NIST
Inp	442.35		NIST
Inp	443.58		NIST
Inp	441.74		NIST
Inp	443.13		NIST
Inp	441.63		NIST
Inp	460.35		NIST
Inp	433.31		NIST
Inp	433.31		NIST
Inp	438.54		NIST
Inp	439.41		NIST
Inp	443.88		NIST
Inp	441.74		NIST
Inp	433.90		NIST
Inp	443.13		NIST
Inp	441.70		NIST
Inp	440.37		NIST
Inp	441.63		NIST
Inp	439.41		NIST
Inp	Outlier 2671.00		NIST
Inp	Outlier 2705.00		NIST
Tboil	745.69	K	Relay (1.0) Calculated Property
Tc	1053.83	K	Relay (1.0) Calculated Property
Tfus	448.91	K	Relay (1.0) Calculated Property
Vc	0.777	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[521.16; 597.00]	J/mol×K	[766.84; 1030.60]
Cp,gas	521.16	J/mol×K	766.84	Joback Calculated Property
Cp,gas	534.69	J/mol×K	810.80	Joback Calculated Property
Cp,gas	547.49	J/mol×K	854.76	Joback Calculated Property
Cp,gas	559.83	J/mol×K	898.72	Joback Calculated Property
Cp,gas	572.01	J/mol×K	942.68	Joback Calculated Property
Cp,gas	584.31	J/mol×K	986.64	Joback Calculated Property
Cp,gas	597.00	J/mol×K	1030.60	Joback Calculated Property
η	[0.0022895; 0.0032474]	Pa×s	[516.22; 766.84]
η	0.0032474	Pa×s	516.22	Joback Calculated Property
η	0.0029976	Pa×s	557.99	Joback Calculated Property
η	0.0027980	Pa×s	599.76	Joback Calculated Property
η	0.0026352	Pa×s	641.53	Joback Calculated Property
η	0.0025002	Pa×s	683.30	Joback Calculated Property
η	0.0023865	Pa×s	725.07	Joback Calculated Property
η	0.0022895	Pa×s	766.84	Joback Calculated Property
ΔfusH	19.60	kJ/mol	441.50	NIST
ΔsubH	119.20	kJ/mol	383.00	NIST
ΔvapH	89.70	kJ/mol	398.00	NIST
Pvap	[1.05e-08; 0.35]	kPa	[298.15; 510.00]
Pvap	1.05e-08	kPa	298.15	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	1.40e-08	kPa	300.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	6.40e-08	kPa	310.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	2.60e-07	kPa	320.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	9.52e-07	kPa	330.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	3.17e-06	kPa	340.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	9.66e-06	kPa	350.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	2.72e-05	kPa	360.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	7.13e-05	kPa	370.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	1.75e-04	kPa	380.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	4.04e-04	kPa	390.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	8.84e-04	kPa	400.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	1.84e-03	kPa	410.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	3.64e-03	kPa	420.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	6.90e-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	0.10	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	0.24	kPa	500.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	0.35	kPa	510.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons

Similar Compounds

Find more compounds similar to Benzo[b]fluoranthene.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Solid vapor pressure for five heavy PAHs via the Knudsen effusion method
• 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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