Chemical Properties of Benz(a)acridine, 9,10,12-trimethyl- (CAS 63040-02-8)

InChI

InChI=1S/C20H17N/c1-12-10-17-14(3)20-16-7-5-4-6-15(16)8-9-18(20)21-19(17)11-13(12)2/h4-11H,1-3H3

InChI Key

CWOZJMDRFAMWLF-UHFFFAOYSA-N

Formula

C20H17N

SMILES

Cc1cc2nc3ccc4ccccc4c3c(C)c2cc1C

Molecular Weight¹

271.36

CAS

63040-02-8

Other Names

• 5,7,8-Trimethyl-3:4-benzacridine
• 2,3,10 Trimethyl,5:6 benzacridine
• 9,10,12-Trimethylbenz[a]acridine

• 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	0.6317		Relay (... Calculated Property
ΔfG°	368.15	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	249.89	kJ/mol	Relay (... Calculated Property
ΔvapH°	116.40	kJ/mol	Relay (... Calculated Property
IE	7.36	eV	Relay (... Calculated Property
log10WS	-6.80		Relay (... Calculated Property
logPoct/wat	5.466		Crippen Calculated Property
McVol	220.500	ml/mol	McGowan Calculated Property
Pc	1991.28	kPa	Relay (... Calculated Property ⚠️
Inp	[466.79; 466.79]
Inp	466.79		NIST
Inp	466.79		NIST
Tboil	725.34	K	Relay (... Calculated Property
Tc	1041.39	K	Relay (... Calculated Property
Tfus	456.41	K	Relay (... Calculated Property
Vc	0.832	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Benz(a)acridine, 9,10,12-trimethyl-.

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.