Chemical Properties of Phenyl 4-pyridyl ketone (CAS 14548-46-0)

InChI

InChI=1S/C12H9NO/c14-12(10-4-2-1-3-5-10)11-6-8-13-9-7-11/h1-9H

InChI Key

SKFLCXNDKRUHTA-UHFFFAOYSA-N

Formula

C12H9NO

SMILES

O=C(c1ccccc1)c1ccncc1

Molecular Weight¹

183.21

CAS

14548-46-0

Other Names

• 4-Benzoylpyridine
• 4-Pyridyl phenyl ketone
• Ba 33215
• Ketone, phenyl 4-pyridyl
• Methanone, phenyl-4-pyridinyl-
• NSC 9488
• Phenyl(4-pyridinyl)methanone
• Pyridine, 4-benzoyl-
• «gamma»-Benzoylpyridine

• 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	0.5033		Relay (1.0) Calculated Property
ΔfG°	161.82	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	95.17	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	91.46	kJ/mol	Relay (1.0) Calculated Property
IE	9.60 ± 0.10	eV	NIST
log10WS	-2.11		Relay (1.0) Calculated Property
logPoct/wat	2.313		Crippen Calculated Property
McVol	143.970	ml/mol	McGowan Calculated Property
Pc	3653.25	kPa	Relay (1.0-beta) Calculated Property
Tboil	[588.00; 588.20]	K
Tboil	588.20	K	NIST
Tboil	588.00	K	NIST
Tc	862.91	K	Relay (1.0) Calculated Property
Tfus	[345.10; 348.00]	K
Tfus	348.00 ± 1.50	K	NIST
Tfus	345.10 ± 0.50	K	NIST
Vc	0.533	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Phenyl 4-pyridyl ketone.

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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