Chemical Properties of 1-Methylbenzo(a)pyrene (CAS 40568-90-9)

InChI

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

InChI Key

WMAYPBMLSQKCHA-UHFFFAOYSA-N

Formula

C21H14

SMILES

Cc1ccc2ccc3cc4ccccc4c4ccc1c2c34

Molecular Weight¹

266.34

CAS

40568-90-9

• 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_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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[572.91; 653.41]	J/mol×K	[794.70; 1053.20]
Cp,gas	572.91	J/mol×K	794.70	Joback Calculated Property
Cp,gas	586.99	J/mol×K	837.78	Joback Calculated Property
Cp,gas	600.46	J/mol×K	880.87	Joback Calculated Property
Cp,gas	613.57	J/mol×K	923.95	Joback Calculated Property
Cp,gas	626.59	J/mol×K	967.03	Joback Calculated Property
Cp,gas	639.79	J/mol×K	1010.12	Joback Calculated Property
Cp,gas	653.41	J/mol×K	1053.20	Joback Calculated Property
η	[0.0022394; 0.0031877]	Pa×s	[540.01; 794.70]
η	0.0031877	Pa×s	540.01	Joback Calculated Property
η	0.0029417	Pa×s	582.46	Joback Calculated Property
η	0.0027446	Pa×s	624.91	Joback Calculated Property
η	0.0025833	Pa×s	667.36	Joback Calculated Property
η	0.0024492	Pa×s	709.80	Joback Calculated Property
η	0.0023360	Pa×s	752.25	Joback Calculated Property
η	0.0022394	Pa×s	794.70	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Methylbenzo(a)pyrene.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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