Chemical Properties of Ethanone, 1-(4-pyridinyl)- (CAS 1122-54-9)

InChI

InChI=1S/C7H7NO/c1-6(9)7-2-4-8-5-3-7/h2-5H,1H3

InChI Key

WMQUKDQWMMOHSA-UHFFFAOYSA-N

Formula

C7H7NO

SMILES

CC(=O)c1ccncc1

Molecular Weight¹

121.14

CAS

1122-54-9

Other Names

• Ketone, methyl 4-pyridyl
• Methyl 4-pyridyl ketone
• 4-Acetylpyridine
• 4-Pyridyl methyl ketone
• Pyridine, 4-acetyl-
• «gamma»-Acetylpyridine
• 1-(4-Pyridinyl)ethanone

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (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).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
PAff	914.70	kJ/mol	NIST
BasG	882.90	kJ/mol	NIST
ΔvapH°	66.50 ± 0.90	kJ/mol	NIST
IE	[9.30; 9.75]	eV
IE	9.30	eV	NIST
IE	9.75	eV	NIST
log10WS	-1.90		Crippen Calculated Property
logPoct/wat	1.284		Crippen Calculated Property
McVol	97.280	ml/mol	McGowan Calculated Property
Inp	1112.00		NIST
I	[1800.00; 1801.00]
I	1800.00		NIST
I	1801.00		NIST
I	1801.00		NIST
Tboil	[485.20; 487.00]	K
Tboil	485.20	K	NIST
Tboil	487.00	K	NIST
Tboil	486.00 ± 1.00	K	NIST

Similar Compounds

Find more compounds similar to Ethanone, 1-(4-pyridinyl)-.

Sources

• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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