Chemical Properties of 5-isopropyl-3-methyl-2-phenoxypyrazine

InChI

InChI=1S/C14H16N2O/c1-10(2)13-9-15-14(11(3)16-13)17-12-7-5-4-6-8-12/h4-10H,1-3H3

InChI Key

QDHZPSJIZDNGPB-UHFFFAOYSA-N

Formula

C14H16N2O

SMILES

Cc1nc(C(C)C)cnc1Oc1ccccc1

Molecular Weight¹

228.29

Other Names

• Pyrazine, 3-methyl-5-(1-methylethyl)-2-phenoxy

• 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_np : Non-polar retention indices.
• 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	0.5694		Relay (... Calculated Property
ΔfG°	199.37	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	17.65	kJ/mol	Relay (... Calculated Property
ΔvapH°	74.62	kJ/mol	Relay (... Calculated Property
IE	8.16	eV	Relay (... Calculated Property
log10WS	-3.49		Relay (... Calculated Property
logPoct/wat	3.701		Crippen Calculated Property
McVol	186.430	ml/mol	McGowan Calculated Property
Pc	2766.39	kPa	Relay (... Calculated Property ⚠️
Inp	[1620.00; 1620.00]
Inp	1620.00		NIST
Inp	1620.00		NIST
I	[2114.00; 2114.00]
I	2114.00		NIST
I	2114.00		NIST
Tboil	564.45	K	Relay (... Calculated Property
Tc	837.97	K	Relay (... Calculated Property
Tfus	337.17	K	Relay (... Calculated Property
Vc	0.692	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to 5-isopropyl-3-methyl-2-phenoxypyrazine.

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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