Chemical Properties of Cyclopenta(def)phenanthrenone (CAS 5737-13-3)

InChI

InChI=1S/C15H8O/c16-15-11-5-1-3-9-7-8-10-4-2-6-12(15)14(10)13(9)11/h1-8H

InChI Key

IFCBMPOMNSORDG-UHFFFAOYSA-N

Formula

C15H18O

SMILES

O=c1c2cccc3ccc4cccc1c4c32

Molecular Weight¹

214.30

CAS

5737-13-3

Other Names

• 4H-cyclopenta[def]phenathren-4-one
• 4H-cyclopenta[def]phenanthren-4-one

• ω : Acentric Factor.
• 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 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).
• 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	0.5952		Relay (1.0) Calculated Property
ΔfG°	152.28	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	140.09	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	99.96	kJ/mol	Relay (1.0) Calculated Property
IE	7.90	eV	Relay (1.0) Calculated Property
log10WS	-5.40		Relay (1.0) Calculated Property
logPoct/wat	3.382		Crippen Calculated Property
McVol	150.240	ml/mol	McGowan Calculated Property
Pc	2585.58	kPa	Relay (1.0-beta) Calculated Property
Inp	[341.20; 1977.00]
Inp	1977.00		NIST
Inp	342.90		NIST
Inp	341.20		NIST
Tboil	686.00	K	Relay (1.0) Calculated Property
Tc	992.72	K	Relay (1.0) Calculated Property
Tfus	509.04	K	Relay (1.0) Calculated Property
Vc	0.591	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Similar Compounds

Find more compounds similar to Cyclopenta(def)phenanthrenone.

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
• McGowan Method
• NIST Webbook

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