Chemical Properties of Benzo[l]cyclopenta[cd]pyrene (CAS 113779-16-1)

InChI

InChI=1S/C22H12/c1-2-6-17-16(5-1)18-7-3-4-14-12-15-9-8-13-10-11-19(17)22(20(13)15)21(14)18/h1-12H

InChI Key

MEWBBKSDPHWBAG-UHFFFAOYSA-N

Formula

C22H12

SMILES

C1=Cc2cc3cccc4c5ccccc5c5ccc1c2c5c34

Molecular Weight¹

276.33

CAS

113779-16-1

• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[573.12; 658.25]	J/mol×K	[829.06; 1092.77]
Cp,gas	573.12	J/mol×K	829.06	Joback Calculated Property
Cp,gas	586.27	J/mol×K	873.01	Joback Calculated Property
Cp,gas	599.37	J/mol×K	916.96	Joback Calculated Property
Cp,gas	612.77	J/mol×K	960.92	Joback Calculated Property
Cp,gas	626.81	J/mol×K	1004.87	Joback Calculated Property
Cp,gas	641.85	J/mol×K	1048.82	Joback Calculated Property
Cp,gas	658.25	J/mol×K	1092.77	Joback Calculated Property
η	[0.0081372; 0.0083814]	Pa×s	[590.26; 829.06]
η	0.0083814	Pa×s	590.26	Joback Calculated Property
η	0.0083272	Pa×s	630.06	Joback Calculated Property
η	0.0082798	Pa×s	669.86	Joback Calculated Property
η	0.0082379	Pa×s	709.66	Joback Calculated Property
η	0.0082006	Pa×s	749.46	Joback Calculated Property
η	0.0081673	Pa×s	789.26	Joback Calculated Property
η	0.0081372	Pa×s	829.06	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzo[l]cyclopenta[cd]pyrene.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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.
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