Chemical Properties of 3-Methylcholanthrene

InChI

InChI=1S/C21H16/c1-13-5-8-17-15(11-13)7-9-18-19-10-6-14-3-2-4-16(21(14)19)12-20(17)18/h2-5,7-9,11-12H,6,10H2,1H3

InChI Key

HVVINGXJHBOTJQ-UHFFFAOYSA-N

Formula

C21H16

SMILES

Cc1ccc2c(ccc3c4c5c(cccc5cc32)CC4)c1

Molecular Weight¹

268.36

• 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).
• 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	[599.80; 685.13]	J/mol×K	[795.54; 1051.83]
Cp,gas	599.80	J/mol×K	795.54	Joback Calculated Property
Cp,gas	614.89	J/mol×K	838.25	Joback Calculated Property
Cp,gas	629.30	J/mol×K	880.97	Joback Calculated Property
Cp,gas	643.27	J/mol×K	923.68	Joback Calculated Property
Cp,gas	657.07	J/mol×K	966.40	Joback Calculated Property
Cp,gas	670.94	J/mol×K	1009.11	Joback Calculated Property
Cp,gas	685.13	J/mol×K	1051.83	Joback Calculated Property
η	[0.0020987; 0.0031708]	Pa×s	[539.25; 795.54]
η	0.0031708	Pa×s	539.25	Joback Calculated Property
η	0.0028862	Pa×s	581.97	Joback Calculated Property
η	0.0026613	Pa×s	624.68	Joback Calculated Property
η	0.0024794	Pa×s	667.39	Joback Calculated Property
η	0.0023298	Pa×s	710.11	Joback Calculated Property
η	0.0022047	Pa×s	752.83	Joback Calculated Property
η	0.0020987	Pa×s	795.54	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Methylcholanthrene.

Sources

• Crippen Method
• Joback Method
• Estimated Solubility Method
• McGowan Method

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