Chemical Properties of (R)-1-Methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol (CAS 3153-55-7)

InChI

InChI=1S/C18H19NO2/c1-19-8-7-12-10-15(20)18(21-2)17-13-6-4-3-5-11(13)9-14(19)16(12)17/h3-6,10,14,20H,7-9H2,1-2H3/t14-/m1/s1

InChI Key

AKXOIHNFHOEPHN-CQSZACIVSA-N

Formula

C18H19NO2

SMILES

COc1c(O)cc2c3c1-c1ccccc1CC3N(C)CC2

Molecular Weight¹

281.35

CAS

3153-55-7

• 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	0.7573		Relay (... Calculated Property
ΔfG°	131.36	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-46.81	kJ/mol	Relay (... Calculated Property
ΔvapH°	118.78	kJ/mol	Relay (... Calculated Property
IE	7.69	eV	Relay (... Calculated Property
log10WS	-2.38		Relay (... Calculated Property
logPoct/wat	3.153		Crippen Calculated Property
McVol	216.960	ml/mol	McGowan Calculated Property
Pc	2361.65	kPa	Relay (... Calculated Property ⚠️
Inp	[2447.10; 2447.10]
Inp	2447.10		NIST
Inp	2447.10		NIST
Tboil	677.55	K	Relay (... Calculated Property
Tc	990.08	K	Relay (... Calculated Property
Tfus	433.64	K	Relay (... Calculated Property
Vc	0.799	m3/kmol	Relay (... Calculated Property

Similar Compounds

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

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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