Chemical Properties of [1,3]Dioxolo[4,5-j]phenanthridine (CAS 224-11-3)

InChI

InChI=1S/C14H9NO2/c1-2-4-12-10(3-1)11-6-14-13(16-8-17-14)5-9(11)7-15-12/h1-7H,8H2

InChI Key

RFILRSDHWIIIMN-UHFFFAOYSA-N

Formula

C14H9NO2

SMILES

c1ccc2c(c1)ncc1cc3c(cc12)OCO3

Molecular Weight¹

223.23

CAS

224-11-3

• 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).
• 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	0.5879		Relay (1.0) Calculated Property
ΔfG°	116.33	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	1.34	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	93.93	kJ/mol	Relay (1.0) Calculated Property
IE	7.68	eV	Relay (1.0) Calculated Property
log10WS	-4.62		Relay (1.0) Calculated Property
logPoct/wat	3.117		Crippen Calculated Property
McVol	156.300	ml/mol	McGowan Calculated Property
Pc	3291.00	kPa	Relay (1.0-beta) Calculated Property
Inp	[2273.90; 2273.90]
Inp	2273.90		NIST
Inp	2273.90		NIST
Tboil	671.24	K	Relay (1.0) Calculated Property
Tc	979.00	K	Relay (1.0) Calculated Property
Tfus	438.04	K	Relay (1.0) Calculated Property
Vc	0.619	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to [1,3]Dioxolo[4,5-j]phenanthridine.

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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