Chemical Properties of Quinoline, 6-methoxy- (CAS 5263-87-6)

InChI

InChI=1S/C10H9NO/c1-12-9-4-5-10-8(7-9)3-2-6-11-10/h2-7H,1H3

InChI Key

HFDLDPJYCIEXJP-UHFFFAOYSA-N

Formula

C10H9NO

SMILES

COc1ccc2ncccc2c1

Molecular Weight¹

159.18

CAS

5263-87-6

Other Names

• 6-Methoxyquinoline
• p-Quinanisole
• methyl 6-quinolyl ether

• 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.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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	0.4721		Relay (... Calculated Property
ΔfG°	143.54	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	57.36	kJ/mol	Relay (... Calculated Property
ΔvapH°	78.10 ± 2.30	kJ/mol	NIST
IE	8.27	eV	Relay (... Calculated Property
log10WS	-2.16		Relay (... Calculated Property
logPoct/wat	2.243		Crippen Calculated Property
McVol	124.390	ml/mol	McGowan Calculated Property
Pc	4162.92	kPa	Relay (... Calculated Property ⚠️
Inp	[1470.00; 1470.00]
Inp	1470.00		NIST
Inp	1470.00		NIST
I	2353.00		NIST
Tboil	559.81	K	Relay (... Calculated Property
Tc	809.22	K	Relay (... Calculated Property
Tfus	313.80	K	Relay (... Calculated Property
Vc	0.464	m3/kmol	Relay (... Calculated Property

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[416.00; 466.20]	K	[1.60; 6.70]
Tboilr	426.20	K	1.60	NIST
Tboilr	416.00 ± 3.00	K	2.00	NIST
Tboilr	466.20	K	6.70	NIST

Similar Compounds

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

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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