Chemical Properties of 3H-Benzo[cd]pyrene (CAS 191-35-5)

InChI

InChI=1S/C19H12/c1-3-12-7-9-14-10-8-13-4-2-6-16-11-15(5-1)17(12)19(14)18(13)16/h1-3,5-11H,4H2

InChI Key

LFBJZFWBDRYIIY-UHFFFAOYSA-N

Formula

C19H12

SMILES

C1=Cc2cc3cccc4ccc5ccc(c2c5c43)C1

Molecular Weight¹

240.30

CAS

191-35-5

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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	[492.15; 566.10]	J/mol×K	[740.73; 1000.21]
Cp,gas	492.15	J/mol×K	740.73	Joback Calculated Property
Cp,gas	505.49	J/mol×K	783.98	Joback Calculated Property
Cp,gas	518.05	J/mol×K	827.22	Joback Calculated Property
Cp,gas	530.12	J/mol×K	870.47	Joback Calculated Property
Cp,gas	541.97	J/mol×K	913.72	Joback Calculated Property
Cp,gas	553.87	J/mol×K	956.96	Joback Calculated Property
Cp,gas	566.10	J/mol×K	1000.21	Joback Calculated Property
η	[0.0030804; 0.0038035]	Pa×s	[507.71; 740.73]
η	0.0038035	Pa×s	507.71	Joback Calculated Property
η	0.0036266	Pa×s	546.55	Joback Calculated Property
η	0.0034798	Pa×s	585.38	Joback Calculated Property
η	0.0033562	Pa×s	624.22	Joback Calculated Property
η	0.0032507	Pa×s	663.06	Joback Calculated Property
η	0.0031597	Pa×s	701.89	Joback Calculated Property
η	0.0030804	Pa×s	740.73	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3H-Benzo[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

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