Chemical Properties of Methanone,(2-methylphenyl)-2-pyridinyl- (CAS 54523-78-3)

InChI

InChI=1S/C13H11NO/c1-10-6-2-3-7-11(10)13(15)12-8-4-5-9-14-12/h2-9H,1H3

InChI Key

GWXTVPWMINBKEI-UHFFFAOYSA-N

Formula

C13H11NO

SMILES

Cc1ccccc1C(=O)c1ccccn1

Molecular Weight¹

197.23

CAS

54523-78-3

Other Names

• 2-(2-Methylbenzoyl)-pyridine

• 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).
• 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	0.5247		Relay (... Calculated Property
ΔfG°	162.05	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	66.81	kJ/mol	Relay (... Calculated Property
ΔvapH°	85.68	kJ/mol	Relay (... Calculated Property
IE	[8.72; 8.72]	eV
IE	8.72	eV	NIST
IE	8.72	eV	NIST
log10WS	-2.65		Relay (... Calculated Property
logPoct/wat	2.621		Crippen Calculated Property
McVol	158.060	ml/mol	McGowan Calculated Property
Pc	3289.55	kPa	Relay (... Calculated Property ⚠️
Tboil	598.37	K	Relay (... Calculated Property
Tc	863.88	K	Relay (... Calculated Property
Tfus	327.67	K	Relay (... Calculated Property
Vc	0.585	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Methanone,(2-methylphenyl)-2-pyridinyl-.

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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