Chemical Properties of Benzo[j]fluoranthene (CAS 205-82-3)

InChI

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

InChI Key

KHNYNFUTFKJLDD-UHFFFAOYSA-N

Formula

C20H12

SMILES

c1ccc2c3c(ccc2c1)-c1cccc2cccc-3c12

Molecular Weight¹

252.31

CAS

205-82-3

Other Names

• 205-82-3
• 7,8-Benzofluoranthene
• B(j)F
• Benz(j)fluoranthene
• Benzo(j)fluoranthene
• Benzo[l]fluoranthene
• Dibenzo[a,jk]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_vapH° : Enthalpy of vaporization at standard conditions (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).
• 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°	31.48	kJ/mol	Joback Calculated Property
ΔvapH°	70.30	kJ/mol	Joback Calculated Property
log10WS	[-8.00; -8.00]
log10WS	-8.00		Aq. Sol...
log10WS	-8.00		Estimat...
logPoct/wat	5.640		Crippen Calculated Property
McVol	195.360	ml/mol	McGowan Calculated Property
Pc	2608.40	kPa	Joback Calculated Property
Inp	[430.60; 2756.00]
Inp	2756.00		NIST
Inp	2711.00		NIST
Inp	2725.00		NIST
Inp	2704.00		NIST
Inp	440.92		NIST
Inp	443.19		NIST
Inp	444.06		NIST
Inp	442.45		NIST
Inp	432.90		NIST
Inp	432.90		NIST
Inp	441.95		NIST
Inp	443.64		NIST
Inp	443.13		NIST
Inp	440.92		NIST
Inp	430.60		NIST
Inp	440.90		NIST
Inp	442.35		NIST
Inp	440.92		NIST
Inp	440.92		NIST
Inp	440.92		NIST
Inp	430.60		NIST
Inp	440.92		NIST
Inp	2756.00		NIST
Inp	2704.00		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	17.90	kJ/mol	438.30	NIST

Similar Compounds

Find more compounds similar to Benzo[j]fluoranthene.

Sources

• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook

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