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

• 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).
• 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).
• 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 Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation 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	[599.87; 685.22]	J/mol×K	[795.74; 1052.09]
Cp,gas	599.87	J/mol×K	795.74	Joback Calculated Property
Cp,gas	614.96	J/mol×K	838.47	Joback Calculated Property
Cp,gas	629.37	J/mol×K	881.19	Joback Calculated Property
Cp,gas	643.35	J/mol×K	923.92	Joback Calculated Property
Cp,gas	657.15	J/mol×K	966.64	Joback Calculated Property
Cp,gas	671.02	J/mol×K	1009.37	Joback Calculated Property
Cp,gas	685.22	J/mol×K	1052.09	Joback Calculated Property
η	[0.0020982; 0.0031708]	Pa×s	[539.25; 795.74]
η	0.0031708	Pa×s	539.25	Joback Calculated Property
η	0.0028860	Pa×s	582.00	Joback Calculated Property
η	0.0026609	Pa×s	624.75	Joback Calculated Property
η	0.0024790	Pa×s	667.50	Joback Calculated Property
η	0.0023294	Pa×s	710.24	Joback Calculated Property
η	0.0022042	Pa×s	752.99	Joback Calculated Property
η	0.0020982	Pa×s	795.74	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Methylcholanthrene.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Joback Method
• Estimated Solubility Method
• McGowan Method

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.
These property values are available through the Cheméo API. A free account gives you an access key.