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_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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4556		Relay (1.0) 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°	72.19	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	4310.78	kPa	Relay (1.0-beta) Calculated Property
Tboil	566.56	K	Relay (1.0) Calculated Property
Tc	862.93	K	Relay (1.0) Calculated Property
Tfus	374.68	K	Relay (1.0) Calculated Property

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.

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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