Chemical Properties of PYRIDINE, 4-METHYL-, 1-OXIDE

InChI

InChI=1S/C6H7NO/c1-6-2-4-7(8)5-3-6/h2-5H,1H3

InChI Key

IWYYIZOHWPCALJ-UHFFFAOYSA-N

Formula

C6H7NO

SMILES

Cc1cc[n+]([O-])cc1

Molecular Weight¹

109.13

Other Names

• 4-Methylpyridine 1-oxide
• 4-Methylpyridine N-oxide
• 4-Picoline, 1-oxide
• 4-methylpyridine-N-oxide
• 4-picoline N-oxide
• «gamma»-Picoline 1-oxide
• «gamma»-Picoline N-oxide

• 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).
• 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	0.3388		Relay (1.0) Calculated Property
ΔcH°solid	-3360.90 ± 2.10	kJ/mol	NIST
ΔfG°	207.56	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	109.39	kJ/mol	Relay (1.0) Calculated Property
ΔfH°solid	[-0.50; 12.90]	kJ/mol
ΔfH°solid	-0.50 ± 2.10	kJ/mol	NIST
ΔfH°solid	12.90 ± 0.90	kJ/mol	NIST
ΔsubH°	[79.10; 85.30]	kJ/mol
ΔsubH°	85.30 ± 2.60	kJ/mol	NIST
ΔsubH°	79.10 ± 1.30	kJ/mol	NIST
ΔvapH°	62.73	kJ/mol	Relay (1.0) Calculated Property
IE	[8.12; 8.17]	eV
IE	8.17	eV	NIST
IE	8.12 ± 0.02	eV	NIST
log10WS	0.06		Relay (1.0) Calculated Property
logPoct/wat	0.628		Crippen Calculated Property
McVol	87.490	ml/mol	McGowan Calculated Property
Pc	4626.35	kPa	Relay (1.0-beta) Calculated Property
Tboil	453.20	K	Relay (1.0) Calculated Property
Tc	662.63	K	Relay (1.0) Calculated Property
Tfus	[457.15; 457.75]	K
Tfus	457.75	K	Thermal behaviour of nitrogen oxides relevant to oxidative denitrogenation
Tfus	457.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Vc	0.284	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Similar Compounds

Find more compounds similar to PYRIDINE, 4-METHYL-, 1-OXIDE.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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
• Thermal behaviour of nitrogen oxides relevant to oxidative denitrogenation
• McGowan Method
• NIST Webbook

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