Chemical Properties of Benz[c]acridine, 7,9-dimethyl- (CAS 963-89-3)

InChI

InChI=1S/C19H15N/c1-12-7-10-18-17(11-12)13(2)15-9-8-14-5-3-4-6-16(14)19(15)20-18/h3-11H,1-2H3

InChI Key

HEFJMRLDXHSXEP-UHFFFAOYSA-N

Formula

C19H15N

SMILES

Cc1ccc2nc3c(ccc4ccccc43)c(C)c2c1

Molecular Weight¹

257.33

CAS

963-89-3

Other Names

• 7,9-Dimethylbenz[c]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	0.5993		Relay (... Calculated Property
ΔfG°	371.38	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	263.83	kJ/mol	Relay (... Calculated Property
ΔvapH°	111.41	kJ/mol	Relay (... Calculated Property
IE	7.51	eV	Relay (... Calculated Property
log10WS	-6.37		Relay (... Calculated Property
logPoct/wat	5.158		Crippen Calculated Property
McVol	206.410	ml/mol	McGowan Calculated Property
Pc	2211.33	kPa	Relay (... Calculated Property ⚠️
Inp	[434.00; 2769.00]
Inp	2769.00		NIST
Inp	434.00		NIST
Inp	438.32		NIST
Inp	2769.00		NIST
Tboil	728.10	K	Relay (... Calculated Property
Tc	1026.60	K	Relay (... Calculated Property
Tfus	412.17	K	Relay (... Calculated Property
Vc	0.781	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Benz[c]acridine, 7,9-dimethyl-.

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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