Chemical Properties of Quinoline, 8-nitro- (CAS 607-35-2)

InChI

InChI=1S/C9H6N2O2/c12-11(13)8-5-1-3-7-4-2-6-10-9(7)8/h1-6H

InChI Key

OQHHSGRZCKGLCY-UHFFFAOYSA-N

Formula

C9H6N2O2

SMILES

O=[N+]([O-])c1cccc2cccnc12

Molecular Weight¹

174.16

CAS

607-35-2

Other Names

• 8-Nitroquinoline

• 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_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (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	0.5327		Relay (... Calculated Property
ΔfG°	295.79	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	189.77	kJ/mol	Relay (... Calculated Property
ΔsubH°	106.70 ± 0.90	kJ/mol	NIST
ΔvapH°	72.10	kJ/mol	Relay (... Calculated Property
IE	8.99	eV	Relay (... Calculated Property
log10WS	-2.71		Relay (... Calculated Property
logPoct/wat	2.143		Crippen Calculated Property
McVol	121.850	ml/mol	McGowan Calculated Property
Pc	4554.34	kPa	Relay (... Calculated Property ⚠️
Inp	[297.78; 298.46]
Inp	298.09		NIST
Inp	297.78		NIST
Inp	298.37		NIST
Inp	298.46		NIST
Inp	298.09		NIST
Tboil	585.92	K	Relay (... Calculated Property
Tc	893.72	K	Relay (... Calculated Property
Tfus	361.65 ± 1.00	K	NIST
Vc	0.439	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Similar Compounds

Find more compounds similar to Quinoline, 8-nitro-.

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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