Chemical Properties of Benzo[a]fluorene (CAS 30777-18-5)

InChI

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

InChI Key

HKMTVMBEALTRRR-UHFFFAOYSA-N

Formula

C17H12

SMILES

c1ccc2c(c1)Cc1c-2ccc2ccccc12

Molecular Weight¹

216.28

CAS

30777-18-5

Other Names

• 1,2-Benzofluorene
• 11H-Benzo[a]fluorene
• 1,2-benzfluorene

• 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_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (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).
• 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	281.65	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	24.98	kJ/mol	Joback Calculated Property
ΔvapH°	96.88	kJ/mol	Relay (1.0) Calculated Property
IE	7.68	eV	Relay (1.0) Calculated Property
log10WS	-6.52		Relay (1.0) Calculated Property
logPoct/wat	4.411		Crippen Calculated Property
McVol	172.550	ml/mol	McGowan Calculated Property
Inp	[359.80; 2228.10]
Inp	2221.00		NIST
Inp	2221.00		NIST
Inp	2167.60		NIST
Inp	2228.10		NIST
Inp	2161.00		NIST
Inp	2167.27		NIST
Inp	2153.04		NIST
Inp	2179.00		NIST
Inp	2178.00		NIST
Inp	2180.00		NIST
Inp	2221.00		NIST
Inp	364.44		NIST
Inp	364.45		NIST
Inp	364.86		NIST
Inp	366.74		NIST
Inp	366.50		NIST
Inp	366.39		NIST
Inp	366.48		NIST
Inp	366.64		NIST
Inp	366.52		NIST
Inp	359.80		NIST
Inp	359.80		NIST
Inp	366.30		NIST
Inp	366.60		NIST
Inp	366.56		NIST
Inp	366.45		NIST
Inp	366.54		NIST
Inp	366.44		NIST
Inp	366.72		NIST
Inp	366.74		NIST
Inp	366.30		NIST
Inp	366.28		NIST
Inp	366.28		NIST
Inp	366.54		NIST
Inp	366.52		NIST
Inp	366.50		NIST
Inp	366.70		NIST
Inp	366.50		NIST
Inp	366.37		NIST
Inp	366.74		NIST
Inp	364.80		NIST
Inp	371.80		NIST
Inp	366.74		NIST
Inp	366.92		NIST
Inp	367.50		NIST
Inp	366.74		NIST
Inp	361.25		NIST
Inp	362.05		NIST
Inp	363.68		NIST
Inp	364.92		NIST
Inp	366.74		NIST
Inp	2178.00		NIST
Inp	366.74		NIST
Inp	366.52		NIST
Inp	366.56		NIST
Inp	2221.00		NIST
Inp	364.44		NIST
Tboil	677.36	K	Relay (1.0) Calculated Property
Tc	947.44	K	Relay (1.0) Calculated Property
Tfus	413.27	K	Relay (1.0) Calculated Property
Vc	0.671	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Pressure, 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	[438.94; 513.49]	J/mol×K	[678.71; 937.49]
Cp,gas	438.94	J/mol×K	678.71	Joback Calculated Property
Cp,gas	453.67	J/mol×K	721.84	Joback Calculated Property
Cp,gas	467.20	J/mol×K	764.97	Joback Calculated Property
Cp,gas	479.74	J/mol×K	808.10	Joback Calculated Property
Cp,gas	491.50	J/mol×K	851.23	Joback Calculated Property
Cp,gas	502.67	J/mol×K	894.36	Joback Calculated Property
Cp,gas	513.49	J/mol×K	937.49	Joback Calculated Property
η	[0.0009626; 0.0019238]	Pa×s	[433.67; 678.71]
η	0.0019238	Pa×s	433.67	Joback Calculated Property
η	0.0016311	Pa×s	474.51	Joback Calculated Property
η	0.0014195	Pa×s	515.35	Joback Calculated Property
η	0.0012609	Pa×s	556.19	Joback Calculated Property
η	0.0011383	Pa×s	597.03	Joback Calculated Property
η	0.0010411	Pa×s	637.87	Joback Calculated Property
η	0.0009626	Pa×s	678.71	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzo[a]fluorene.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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