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

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[512.78; 586.60]	J/mol×K	[808.35; 1077.23]
Cp,gas	512.78	J/mol×K	808.35	Joback Calculated Property
Cp,gas	525.61	J/mol×K	853.16	Joback Calculated Property
Cp,gas	537.89	J/mol×K	897.98	Joback Calculated Property
Cp,gas	549.89	J/mol×K	942.79	Joback Calculated Property
Cp,gas	561.84	J/mol×K	987.60	Joback Calculated Property
Cp,gas	573.99	J/mol×K	1032.42	Joback Calculated Property
Cp,gas	586.60	J/mol×K	1077.23	Joback Calculated Property
ΔfusH	13.10	kJ/mol	524.20	NIST

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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