Chemical Properties of 1,2-Dimethylpyridone

InChI

InChI=1S/C7H9NO/c1-6-5-7(9)3-4-8(6)2/h3-5H,1-2H3

InChI Key

KHHWWVUYCPMGEL-UHFFFAOYSA-N

Formula

C7H9NO

SMILES

Cc1cc(=O)ccn1C

Molecular Weight¹

123.15

• 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 : 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	0.4504		Relay (1.0) Calculated Property
ΔfG°	33.45	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-80.31	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	92.76	kJ/mol	Relay (1.0) Calculated Property
IE	8.18	eV	Relay (1.0) Calculated Property
log10WS	0.63		Relay (1.0) Calculated Property
logPoct/wat	0.694		Crippen Calculated Property
McVol	101.580	ml/mol	McGowan Calculated Property
Pc	4310.38	kPa	Relay (1.0-beta) Calculated Property
I	[1611.00; 1611.00]
I	1611.00		NIST
I	1611.00		NIST
Tboil	527.54	K	Relay (1.0) Calculated Property
Tc	701.88	K	Relay (1.0) Calculated Property
Tfus	394.02	K	Relay (1.0) Calculated Property
Vc	0.372	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Dimethylpyridone.

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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