Chemical Properties of Quinoline, 6-methoxy-2-methyl- (CAS 1078-28-0)

InChI

InChI=1S/C11H11NO/c1-8-3-4-9-7-10(13-2)5-6-11(9)12-8/h3-7H,1-2H3

InChI Key

NAGJQQFMJKMXJQ-UHFFFAOYSA-N

Formula

C11H11NO

SMILES

COc1ccc2nc(C)ccc2c1

Molecular Weight¹

173.21

CAS

1078-28-0

Other Names

• Quinaldine, 6-methoxy-
• 2-Methyl-6-methoxyquinoline
• 6-Methoxy-2-methylquinoline
• 6-Methoxyquinaldine

• 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	0.5086		Relay (... Calculated Property
ΔfG°	130.21	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	9.47	kJ/mol	Relay (... Calculated Property
ΔvapH°	75.15	kJ/mol	Relay (... Calculated Property
IE	8.04	eV	Relay (... Calculated Property
log10WS	-2.44		Relay (... Calculated Property
logPoct/wat	2.552		Crippen Calculated Property
McVol	138.480	ml/mol	McGowan Calculated Property
Pc	3530.86	kPa	Relay (... Calculated Property ⚠️
Inp	[1514.00; 1514.00]
Inp	1514.00		NIST
Inp	1514.00		NIST
Tboil	563.92	K	Relay (... Calculated Property
Tc	806.98	K	Relay (... Calculated Property
Tfus	340.00 ± 3.00	K	NIST
Vc	0.521	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Quinoline, 6-methoxy-2-methyl-.

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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