Chemical Properties of 3,5-dimethyl-6-propyl-2(1H)-pyrazinone

InChI

InChI=1S/C9H14N2O/c1-4-5-8-6(2)10-7(3)9(12)11-8/h4-5H2,1-3H3,(H,11,12)

InChI Key

GWLWZLSLEQLJJD-UHFFFAOYSA-N

Formula

C9H14N2O

SMILES

CCCc1[nH]c(=O)c(C)nc1C

Molecular Weight¹

166.22

• 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	0.5557		Relay (... Calculated Property
ΔfG°	46.87	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-151.81	kJ/mol	Relay (... Calculated Property
ΔvapH°	82.98	kJ/mol	Relay (... Calculated Property
IE	8.52	eV	Relay (... Calculated Property
log10WS	-1.04		Relay (... Calculated Property
logPoct/wat	0.857		Crippen Calculated Property
McVol	139.740	ml/mol	McGowan Calculated Property
Pc	3126.17	kPa	Relay (... Calculated Property ⚠️
I	[2537.00; 2537.00]
I	2537.00		NIST
I	2537.00		NIST
Tboil	558.92	K	Relay (... Calculated Property
Tc	758.56	K	Relay (... Calculated Property
Tfus	443.91	K	Relay (... Calculated Property
Vc	0.516	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to 3,5-dimethyl-6-propyl-2(1H)-pyrazinone.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.