Chemical Properties of Quinoline, 8-methoxy- (CAS 938-33-0)

InChI

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

InChI Key

ZLKGGEBOALGXJZ-UHFFFAOYSA-N

Formula

C10H9NO

SMILES

COc1cccc2cccnc12

Molecular Weight¹

159.18

CAS

938-33-0

Other Names

• 8-Methoxyquinoline
• methyl 8-quinolyl ether

• ω : Acentric Factor.
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4625		Relay (1.0) Calculated Property
ΔfH°gas	58.73	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	71.09	kJ/mol	Relay (1.0) Calculated Property
IE	8.22	eV	Relay (1.0) Calculated Property
log10WS	-1.83		Relay (1.0) Calculated Property
logPoct/wat	2.243		Crippen Calculated Property
McVol	124.390	ml/mol	McGowan Calculated Property
Pc	4114.64	kPa	Relay (1.0-beta) Calculated Property
Inp	[259.80; 1524.00]
Inp	1524.00		NIST
Inp	259.80		NIST
Inp	259.80		NIST
Tboil	553.41	K	Relay (1.0) Calculated Property
Tc	808.38	K	Relay (1.0) Calculated Property
Tfus	318.40 ± 0.70	K	NIST

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Find more compounds similar to Quinoline, 8-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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