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

• 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).
• 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
ΔfG°	621.88	kJ/mol	Joback Calculated Property
ΔfH°gas	464.81	kJ/mol	Joback Calculated Property
ΔfusH°	18.30	kJ/mol	Solid v...
ΔvapH°	[104.00; 116.80]	kJ/mol
ΔvapH°	116.80 ± 1.60	kJ/mol	NIST
ΔvapH°	104.00 ± 1.50	kJ/mol	NIST
log10WS	[-8.23; -8.23]
log10WS	-8.23		Aq. Sol...
log10WS	-8.23		Estimat...
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	766.84	K	Joback Calculated Property
Tc	1030.60	K	Joback Calculated Property
Tfus	516.22	K	Joback Calculated Property
Vc	0.765	m3/kmol	Joback 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	Hypothe...
Pvap	1.40e-08	kPa	300.00	Hypothe...
Pvap	6.40e-08	kPa	310.00	Hypothe...
Pvap	2.60e-07	kPa	320.00	Hypothe...
Pvap	9.52e-07	kPa	330.00	Hypothe...
Pvap	3.17e-06	kPa	340.00	Hypothe...
Pvap	9.66e-06	kPa	350.00	Hypothe...
Pvap	2.72e-05	kPa	360.00	Hypothe...
Pvap	7.13e-05	kPa	370.00	Hypothe...
Pvap	1.75e-04	kPa	380.00	Hypothe...
Pvap	4.04e-04	kPa	390.00	Hypothe...
Pvap	8.84e-04	kPa	400.00	Hypothe...
Pvap	1.84e-03	kPa	410.00	Hypothe...
Pvap	3.64e-03	kPa	420.00	Hypothe...
Pvap	6.90e-03	kPa	430.00	Hypothe...
Pvap	0.01	kPa	440.00	Hypothe...
Pvap	0.02	kPa	450.00	Hypothe...
Pvap	0.04	kPa	460.00	Hypothe...
Pvap	0.06	kPa	470.00	Hypothe...
Pvap	0.10	kPa	480.00	Hypothe...
Pvap	0.15	kPa	490.00	Hypothe...
Pvap	0.24	kPa	500.00	Hypothe...
Pvap	0.35	kPa	510.00	Hypothe...

Similar Compounds

Find more compounds similar to Benzo[b]fluoranthene.

Sources

• 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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