Chemical Properties of 6(5H)-Phenanthridinone (CAS 1015-89-0)

InChI

InChI=1S/C13H9NO/c15-13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)14-13/h1-8H,(H,14,15)

InChI Key

RZFVLEJOHSLEFR-UHFFFAOYSA-N

Formula

C13H9NO

SMILES

O=c1[nH]c2ccccc2c2ccccc12

Molecular Weight¹

195.22

CAS

1015-89-0

Other Names

• 6-Phenanthridinol
• 6-Phenanthridone
• 6(5H)-Phenantridinone
• Phenantridone
• Phenanthridone
• phenanthridin-6(5H)-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_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

Property	Value	Unit	Source
ω	0.5484		Relay (1.0) Calculated Property
ΔfG°	183.38	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	50.32	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	106.56	kJ/mol	Relay (1.0) Calculated Property
IE	8.05	eV	Relay (1.0) Calculated Property
log10WS	-3.60		Relay (1.0) Calculated Property
logPoct/wat	2.199		Crippen Calculated Property
McVol	147.200	ml/mol	McGowan Calculated Property
Pc	3976.98	kPa	Relay (1.0-beta) Calculated Property
Tboil	669.43	K	Relay (1.0) Calculated Property
Tc	977.58	K	Relay (1.0) Calculated Property
Tfus	[564.65; 565.15]	K
Tfus	564.65 ± 2.00	K	NIST
Tfus	565.15 ± 2.00	K	NIST
Vc	0.547	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 6(5H)-Phenanthridinone.

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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