Chemical Properties of Dibenz[a,j]acridine (CAS 224-42-0)

InChI

InChI=1S/C21H13N/c1-3-7-16-14(5-1)9-11-20-18(16)13-19-17-8-4-2-6-15(17)10-12-21(19)22-20/h1-13H

InChI Key

ANUCHZVCBDOPOX-UHFFFAOYSA-N

Formula

C21H13N

SMILES

c1ccc2c(c1)ccc1nc3ccc4ccccc4c3cc12

Molecular Weight¹

279.33

CAS

224-42-0

Other Names

• 1,2,7,8-Dibenzacridine
• 1,2:7,8-Dibenzacridine
• 7-Azadibenz[a,j]anthracene
• Db(a,j)ac
• Dibenzo[a,j]acridine

• ω : Acentric Factor.
• 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	0.6203		Relay (1.0) Calculated Property
ΔfH°gas	380.05	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	129.56	kJ/mol	Relay (1.0) Calculated Property
IE	7.56	eV	Relay (1.0) Calculated Property
log10WS	-7.32		Relay (1.0) Calculated Property
logPoct/wat	5.694		Crippen Calculated Property
McVol	215.130	ml/mol	McGowan Calculated Property
Pc	2425.39	kPa	Relay (1.0-beta) Calculated Property
Inp	[485.37; 3197.00]
Inp	Outlier 3197.00		NIST
Inp	487.56		NIST
Inp	490.53		NIST
Inp	485.37		NIST
Inp	490.66		NIST
Inp	490.66		NIST
Inp	487.56		NIST
Tboil	785.93	K	Relay (1.0) Calculated Property
Tc	1119.84	K	Relay (1.0) Calculated Property
Tfus	547.05	K	Relay (1.0) Calculated Property
Vc	0.819	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Similar Compounds

Find more compounds similar to Dibenz[a,j]acridine.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
These property values are available through the Cheméo API. A free account gives you an access key.