Chemical Properties of 2,2'-Biquinoline (CAS 119-91-5)

InChI

InChI=1S/C18H12N2/c1-3-7-15-13(5-1)9-11-17(19-15)18-12-10-14-6-2-4-8-16(14)20-18/h1-12H

InChI Key

WPTCSQBWLUUYDV-UHFFFAOYSA-N

Formula

C18H12N2

SMILES

c1ccc2nc(-c3ccc4ccccc4n3)ccc2c1

Molecular Weight¹

256.30

CAS

119-91-5

Other Names

• 2,2'-Biquinolyl
• 2,2'-Diquinolyl
• 2,2'-Quinolyl
• 2-quinolin-2-ylquinoline
• Cuproin
• Cuproine
• biquinoline

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase 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	0.5731		Relay (1.0) Calculated Property
ΔcH°solid	-9049.40 ± 6.80	kJ/mol	NIST
ΔfG°	433.29	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	347.90 ± 7.90	kJ/mol	NIST
ΔfH°solid	251.30 ± 7.00	kJ/mol	NIST
ΔsubH°	[96.60; 134.70]	kJ/mol
ΔsubH°	134.70 ± 1.30	kJ/mol	NIST
ΔsubH°	96.60	kJ/mol	NIST
ΔvapH°	121.19	kJ/mol	Relay (1.0) Calculated Property
IE	7.98	eV	Relay (1.0) Calculated Property
log10WS	[-5.40; -5.40]
log10WS	-5.40		Aq. Solubility Prediction
log10WS	-5.40		Estimated Solubility
logPoct/wat	4.450		Crippen Calculated Property
McVol	198.000	ml/mol	McGowan Calculated Property
Pc	3659.16	kPa	Relay (1.0-beta) Calculated Property
Inp	[421.12; 422.56]
Inp	422.56		NIST
Inp	421.12		NIST
Inp	422.56		NIST
Tboil	713.76	K	Relay (1.0) Calculated Property
Tc	1038.46	K	Relay (1.0) Calculated Property
Tfus	467.90	K	Aq. Solubility Prediction
Vc	0.761	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Similar Compounds

Find more compounds similar to 2,2'-Biquinoline.

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
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook

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