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

• 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).
• 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
ΔfG°	487.50	kJ/mol	Joback Calculated Property
ΔfH°gas	340.97	kJ/mol	Joback Calculated Property
ΔfusH°	24.98	kJ/mol	Joback Calculated Property
ΔvapH°	97.50 ± 3.90	kJ/mol	NIST
log10WS	-8.04		Aq. Sol...
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	937.21	K	Joback 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	0.667	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[438.86; 513.42]	J/mol×K	[678.51; 937.21]
T(K) Ideal gas heat capacity (J/mol×K) 440 460 480 500 520 700 800 900
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]
T(K) Dynamic viscosity (Pa×s) 1.00e-3 1.20e-3 1.40e-3 1.60e-3 1.80e-3 2.00e-3 500 600
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]
T(K) Vapor pressure (kPa) 0 0.5 1 1.5 2 300 400 500
Pvap	1.03e-06	kPa	298.15	Hypothe...
Pvap	1.31e-06	kPa	300.00	Hypothe...
Pvap	4.60e-06	kPa	310.00	Hypothe...
Pvap	1.47e-05	kPa	320.00	Hypothe...
Pvap	4.30e-05	kPa	330.00	Hypothe...
Pvap	1.16e-04	kPa	340.00	Hypothe...
Pvap	2.94e-04	kPa	350.00	Hypothe...
Pvap	6.97e-04	kPa	360.00	Hypothe...
Pvap	1.56e-03	kPa	370.00	Hypothe...
Pvap	3.29e-03	kPa	380.00	Hypothe...
Pvap	6.63e-03	kPa	390.00	Hypothe...
Pvap	0.01	kPa	400.00	Hypothe...
Pvap	0.02	kPa	410.00	Hypothe...
Pvap	0.04	kPa	420.00	Hypothe...
Pvap	0.07	kPa	430.00	Hypothe...
Pvap	0.12	kPa	440.00	Hypothe...
Pvap	0.19	kPa	450.00	Hypothe...
Pvap	0.30	kPa	460.00	Hypothe...
Pvap	0.46	kPa	470.00	Hypothe...
Pvap	0.69	kPa	480.00	Hypothe...
Pvap	1.00	kPa	490.00	Hypothe...
Pvap	1.43	kPa	500.00	Hypothe...
Pvap	2.00	kPa	510.00	Hypothe...
ΔfusS	47.80	J/mol×K	489.70	NIST

Similar Compounds

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

Sources

• 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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