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

• 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
ΔfH°gas	50.32	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	105.68	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	3967.85	kPa	Relay (1.0-beta) Calculated Property
Tboil	669.43	K	Relay (1.0) Calculated Property
Tc	977.65	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	0.545	m3/kmol	Relay (1.0) Calculated Property

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.

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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