Chemical Properties of (R)-1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline (CAS 475-83-2)

InChI

InChI=1S/C19H21NO2/c1-20-9-8-13-11-16(21-2)19(22-3)18-14-7-5-4-6-12(14)10-15(20)17(13)18/h4-7,11,15H,8-10H2,1-3H3/t15-/m1/s1

InChI Key

ORJVQPIHKOARKV-OAHLLOKOSA-N

Formula

C19H21NO2

SMILES

COc1cc2c3c(c1OC)-c1ccccc1CC3N(C)CC2

Molecular Weight¹

295.38

CAS

475-83-2

• 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	0.6905		Relay (... Calculated Property
ΔfG°	181.53	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-25.42	kJ/mol	Relay (... Calculated Property
ΔvapH°	112.46	kJ/mol	Relay (... Calculated Property
IE	7.62	eV	Relay (... Calculated Property
log10WS	-2.70		Relay (... Calculated Property
logPoct/wat	3.456		Crippen Calculated Property
McVol	231.050	ml/mol	McGowan Calculated Property
Pc	1604.68	kPa	Relay (... Calculated Property ⚠️
Inp	[2493.70; 2493.70]
Inp	2493.70		NIST
Inp	2493.70		NIST
Tboil	687.94	K	Relay (... Calculated Property
Tc	960.60	K	Relay (... Calculated Property
Tfus	401.65	K	Relay (... Calculated Property
Vc	0.866	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to (R)-1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline.

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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