Chemical Properties of Benz[c]acridine (CAS 225-51-4)

InChI

InChI=1S/C17H11N/c1-3-7-15-12(5-1)9-10-14-11-13-6-2-4-8-16(13)18-17(14)15/h1-11H

InChI Key

OAPPEBNXKAKQGS-UHFFFAOYSA-N

Formula

C17H11N

SMILES

c1ccc2nc3c(ccc4ccccc43)cc2c1

Molecular Weight¹

229.28

CAS

225-51-4

Other Names

• «alpha»-Chrysidine
• «alpha»-Naphthacridine
• B(c)AC
• 12-Azabenz(a)anthracene
• 3,4-Benzacridine
• 7,8-Benzacridine
• 3,4-Benzoacridine
• Rcra waste number U016
• NSC 89261
• Benzo[c]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	0.5405		Relay (1.0) Calculated Property
ΔfH°gas	323.21	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	106.83	kJ/mol	Relay (1.0) Calculated Property
IE	8.10 ± 0.10	eV	NIST
log10WS	-5.67		Relay (1.0) Calculated Property
logPoct/wat	4.541		Crippen Calculated Property
McVol	178.230	ml/mol	McGowan Calculated Property
Pc	3234.69	kPa	Relay (1.0-beta) Calculated Property
Inp	[392.06; 2444.00]
Inp	Outlier 2444.00		NIST
Inp	392.06		NIST
Inp	392.11		NIST
Inp	392.41		NIST
Inp	393.41		NIST
Inp	392.60		NIST
Inp	392.50		NIST
Inp	392.60		NIST
Inp	392.06		NIST
Inp	392.50		NIST
Inp	Outlier 2444.00		NIST
Tboil	704.77	K	Relay (1.0) Calculated Property
Tc	1022.05	K	Relay (1.0) Calculated Property
Tfus	422.72	K	Relay (1.0) Calculated Property
Vc	0.683	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 Benz[c]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.
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