Chemical Properties of Quinoline, 6-phenyl- (CAS 612-95-3)

InChI

InChI=1S/C15H11N/c1-2-5-12(6-3-1)13-8-9-15-14(11-13)7-4-10-16-15/h1-11H

InChI Key

OKLKICXAGRLLGF-UHFFFAOYSA-N

Formula

C15H11N

SMILES

c1ccc(-c2ccc3ncccc3c2)cc1

Molecular Weight¹

205.25

CAS

612-95-3

Other Names

• 6-phenylquinoline

• 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_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	0.4618		Relay (1.0) Calculated Property
ΔfG°	362.41	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	304.71	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	97.24	kJ/mol	Relay (1.0) Calculated Property
IE	8.22	eV	Relay (1.0) Calculated Property
log10WS	-4.07		Relay (1.0) Calculated Property
logPoct/wat	3.902		Crippen Calculated Property
McVol	165.210	ml/mol	McGowan Calculated Property
Pc	3719.56	kPa	Relay (1.0-beta) Calculated Property
Inp	[340.84; 342.45]
Inp	340.95		NIST
Inp	340.84		NIST
Inp	342.45		NIST
Inp	340.84		NIST
Inp	340.84		NIST
Tboil	641.04	K	Relay (1.0) Calculated Property
Tc	923.34	K	Relay (1.0) Calculated Property
Tfus	384.15 ± 2.00	K	NIST
Vc	0.623	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Quinoline, 6-phenyl-.

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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