Chemical Properties of Benz[j]aceanthrylene, 3-methyl-

InChI

InChI=1S/C21H14/c1-13-6-7-15-12-20-17-5-3-2-4-14(17)8-9-18(20)19-11-10-16(13)21(15)19/h2-12H,1H3

InChI Key

HUIUEHNRLHPDBT-UHFFFAOYSA-N

Formula

C21H14

SMILES

Cc1ccc2cc3c(ccc4ccccc43)c3c2c1C=C3

Molecular Weight¹

266.34

Other Names

• 1,2-Dehydro-3-methylcholanthrene
• 3-Methylcholanthrylene
• 3-Methylbenz(j)aceanthrylene
• Dehydro-3-methylcholanthrene

• ω : Acentric Factor.
• 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).
• 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

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[572.98; 653.50]	J/mol×K	[794.90; 1053.47]
Cp,gas	572.98	J/mol×K	794.90	Joback Calculated Property
Cp,gas	587.06	J/mol×K	837.99	Joback Calculated Property
Cp,gas	600.53	J/mol×K	881.09	Joback Calculated Property
Cp,gas	613.64	J/mol×K	924.18	Joback Calculated Property
Cp,gas	626.67	J/mol×K	967.28	Joback Calculated Property
Cp,gas	639.87	J/mol×K	1010.37	Joback Calculated Property
Cp,gas	653.50	J/mol×K	1053.47	Joback Calculated Property
η	[0.0022390; 0.0031877]	Pa×s	[540.01; 794.90]
η	0.0031877	Pa×s	540.01	Joback Calculated Property
η	0.0029416	Pa×s	582.49	Joback Calculated Property
η	0.0027443	Pa×s	624.97	Joback Calculated Property
η	0.0025829	Pa×s	667.46	Joback Calculated Property
η	0.0024488	Pa×s	709.94	Joback Calculated Property
η	0.0023356	Pa×s	752.42	Joback Calculated Property
η	0.0022390	Pa×s	794.90	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benz[j]aceanthrylene, 3-methyl-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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