Chemical Properties of 6H-benzo[cd]pyren-6-one (CAS 3074-00-8)

InChI

InChI=1S/C19H10O/c20-19-14-5-1-3-11-7-9-13-10-8-12-4-2-6-15(19)17(12)18(13)16(11)14/h1-10H

InChI Key

CLIKSBRDCNSYNO-UHFFFAOYSA-N

Formula

C19H10O

SMILES

O=C1c2cccc3ccc4ccc5cccc1c5c4c23

Molecular Weight¹

254.28

CAS

3074-00-8

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (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).
• 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 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[228.94; 565.17]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-9.49300e+01
Coefficient B			1.50910e+00
Coefficient C			-1.30740e-03
Coefficient D			4.58400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	228.94	J/mol×K	273.00	Calculated Property
Cp,gas	295.62	J/mol×K	353.78	Calculated Property
Cp,gas	351.59	J/mol×K	434.56	Calculated Property
Cp,gas	398.29	J/mol×K	515.33	Calculated Property
Cp,gas	437.18	J/mol×K	596.11	Calculated Property
Cp,gas	469.71	J/mol×K	676.89	Calculated Property
Cp,gas	497.32	J/mol×K	757.67	Calculated Property
Cp,gas	521.47	J/mol×K	838.44	Calculated Property
Cp,gas	543.60	J/mol×K	919.22	Calculated Property
Cp,gas	565.17	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 6H-benzo[cd]pyren-6-one.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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