Chemical Properties of 3-Quinolinecarbonitrile (CAS 34846-64-5)

InChI

InChI=1S/C10H6N2/c11-6-8-5-9-3-1-2-4-10(9)12-7-8/h1-5,7H

InChI Key

QZZYYBQGTSGDPP-UHFFFAOYSA-N

Formula

C10H6N2

SMILES

N#Cc1cnc2ccccc2c1

Molecular Weight¹

154.17

CAS

34846-64-5

Other Names

• 3-Cyanoquinoline
• Quinolin-3-carbonitrile
• quinoline-3-carbonitrile

• 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	0.4584		Relay (1.0) Calculated Property
ΔfG°	356.52	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	337.09	kJ/mol	Relay (1.0) Calculated Property
ΔsubH°	[91.30; 93.20]	kJ/mol
ΔsubH°	91.30 ± 1.80	kJ/mol	NIST
ΔsubH°	93.20 ± 0.80	kJ/mol	NIST
ΔvapH°	75.59	kJ/mol	Relay (1.0) Calculated Property
IE	9.23	eV	Relay (1.0) Calculated Property
log10WS	-2.15		Relay (1.0) Calculated Property
logPoct/wat	2.106		Crippen Calculated Property
McVol	119.900	ml/mol	McGowan Calculated Property
Pc	4242.75	kPa	Relay (1.0-beta) Calculated Property
Inp	[1462.00; 1462.00]
Inp	1462.00		NIST
Inp	1462.00		NIST
Tboil	568.60	K	Relay (1.0) Calculated Property
Tc	876.68	K	Relay (1.0) Calculated Property
Tfus	381.65	K	Relay (1.0) Calculated Property
Vc	0.449	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Similar Compounds

Find more compounds similar to 3-Quinolinecarbonitrile.

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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