Chemical Properties of 11H-Benzo[b]fluorene (CAS 243-17-4)

InChI

InChI=1S/C17H12/c1-2-6-13-11-17-15(9-12(13)5-1)10-14-7-3-4-8-16(14)17/h1-9,11H,10H2

InChI Key

HAPOJKSPCGLOOD-UHFFFAOYSA-N

Formula

C17H12

SMILES

c1ccc2c(c1)Cc1cc3ccccc3cc1-2

Molecular Weight¹

216.28

CAS

243-17-4

Other Names

• 2,3-Benzfluorene
• 2,3-Benzofluorene
• benzo[b]fluorene

• 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).
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• 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	0.5209		Relay (1.0) Calculated Property
ΔfG°	487.50	kJ/mol	Joback Calculated Property
ΔfH°gas	291.53	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	24.98	kJ/mol	Joback Calculated Property
ΔvapH°	97.50 ± 3.90	kJ/mol	NIST
IE	7.53	eV	Relay (1.0) Calculated Property
log10WS	-8.04		Aq. Solubility Prediction
logPoct/wat	4.411		Crippen Calculated Property
McVol	172.550	ml/mol	McGowan Calculated Property
Pc	2844.44	kPa	Joback Calculated Property
Tboil	[674.20; 674.50]	K
Tboil	674.20	K	NIST
Tboil	674.50 ± 0.50	K	NIST
Tc	946.28	K	Relay (1.0) Calculated Property
Tfus	[481.50; 489.70]	K
Tfus	481.50 ± 0.50	K	NIST
Tfus	489.70 ± 0.40	K	NIST
Tfus	483.45 ± 1.00	K	NIST
Vc	0.675	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[438.86; 513.42]	J/mol×K	[678.51; 937.21]
Cp,gas	438.86	J/mol×K	678.51	Joback Calculated Property
Cp,gas	453.60	J/mol×K	721.63	Joback Calculated Property
Cp,gas	467.14	J/mol×K	764.74	Joback Calculated Property
Cp,gas	479.68	J/mol×K	807.86	Joback Calculated Property
Cp,gas	491.43	J/mol×K	850.98	Joback Calculated Property
Cp,gas	502.61	J/mol×K	894.10	Joback Calculated Property
Cp,gas	513.42	J/mol×K	937.21	Joback Calculated Property
η	[0.0009629; 0.0019238]	Pa×s	[433.67; 678.51]
η	0.0019238	Pa×s	433.67	Joback Calculated Property
η	0.0016313	Pa×s	474.48	Joback Calculated Property
η	0.0014198	Pa×s	515.28	Joback Calculated Property
η	0.0012612	Pa×s	556.09	Joback Calculated Property
η	0.0011386	Pa×s	596.90	Joback Calculated Property
η	0.0010415	Pa×s	637.70	Joback Calculated Property
η	0.0009629	Pa×s	678.51	Joback Calculated Property
ΔfusH	[23.40; 23.40]	kJ/mol	[489.70; 489.70]
ΔfusH	23.40	kJ/mol	489.70	NIST
ΔfusH	23.40	kJ/mol	489.70	NIST
ΔfusH	23.40	kJ/mol	489.70	NIST
ΔsubH	[111.20; 119.30]	kJ/mol	[371.00; 383.00]
ΔsubH	119.30 ± 1.30	kJ/mol	371.00	NIST
ΔsubH	111.20	kJ/mol	383.00	NIST
ΔvapH	84.70	kJ/mol	398.00	NIST
Pvap	[1.03e-06; 2.00]	kPa	[298.15; 510.00]
Pvap	1.03e-06	kPa	298.15	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	1.31e-06	kPa	300.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	4.60e-06	kPa	310.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	1.47e-05	kPa	320.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	4.30e-05	kPa	330.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	1.16e-04	kPa	340.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	2.94e-04	kPa	350.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	6.97e-04	kPa	360.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	1.56e-03	kPa	370.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	3.29e-03	kPa	380.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	6.63e-03	kPa	390.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	0.01	kPa	400.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	0.02	kPa	410.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	0.04	kPa	420.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	0.07	kPa	430.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	0.12	kPa	440.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	0.19	kPa	450.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	0.30	kPa	460.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	0.46	kPa	470.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	0.69	kPa	480.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	1.00	kPa	490.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	1.43	kPa	500.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	2.00	kPa	510.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
ΔfusS	47.80	J/mol×K	489.70	NIST

Similar Compounds

Find more compounds similar to 11H-Benzo[b]fluorene.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

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