Chemical Properties of 2-Quinolinecarbonitrile (CAS 1436-43-7)

InChI

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

InChI Key

WDXARTMCIRVMAE-UHFFFAOYSA-N

Formula

C10H6N2

SMILES

N#Cc1ccc2ccccc2n1

Molecular Weight¹

154.17

CAS

1436-43-7

Other Names

• Quinaldonitrile
• 2-Cyanoquinoline
• quinoline-2-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).
• 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	0.4556		Relay (1.0) Calculated Property
ΔfG°	363.66	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	345.58	kJ/mol	Relay (1.0) Calculated Property
ΔsubH°	[89.30; 94.40]	kJ/mol
ΔsubH°	89.30 ± 3.30	kJ/mol	NIST
ΔsubH°	94.40 ± 0.70	kJ/mol	NIST
ΔvapH°	72.82	kJ/mol	Relay (1.0) Calculated Property
IE	8.81	eV	Relay (1.0) Calculated Property
log10WS	-2.22		Relay (1.0) Calculated Property
logPoct/wat	2.106		Crippen Calculated Property
McVol	119.900	ml/mol	McGowan Calculated Property
Pc	4317.16	kPa	Relay (1.0-beta) Calculated Property
Tboil	566.56	K	Relay (1.0) Calculated Property
Tc	863.26	K	Relay (1.0) Calculated Property
Tfus	374.65	K	Relay (1.0) Calculated Property
Vc	0.453	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Similar Compounds

Find more compounds similar to 2-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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