Chemical Properties of 6H-Benzo[cd]pyren-6-one

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

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• 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

Property	Value	Unit	Source
ω	0.6757		Relay (1.0) Calculated Property
ΔfG°	473.01	kJ/mol	Joback Calculated Property
ΔfH°gas	180.73	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	29.28	kJ/mol	Joback Calculated Property
ΔvapH°	117.00	kJ/mol	Relay (1.0) Calculated Property
IE	7.83	eV	Relay (1.0) Calculated Property
log10WS	-6.77		Relay (1.0) Calculated Property
logPoct/wat	4.691		Crippen Calculated Property
McVol	187.140	ml/mol	McGowan Calculated Property
Pc	2805.41	kPa	Joback Calculated Property
Inp	[453.90; 459.10]
Inp	454.70		NIST
Inp	453.90		NIST
Inp	459.10		NIST
Tboil	744.96	K	Relay (1.0) Calculated Property
Tc	1096.97	K	Relay (1.0) Calculated Property
Tfus	534.41	K	Relay (1.0) Calculated Property
Vc	0.736	m3/kmol	Relay (1.0) Calculated Property

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

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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