Chemical Properties of Pyrazine, 2-chloro-3-(4-methylphenyl)-

InChI

InChI=1S/C11H9ClN2/c1-8-2-4-9(5-3-8)10-11(12)14-7-6-13-10/h2-7H,1H3

InChI Key

UNLHAQUSIBUXFE-UHFFFAOYSA-N

Formula

C11H9ClN2

SMILES

Cc1ccc(-c2nccnc2Cl)cc1

Molecular Weight¹

204.66

• 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.
• 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	0.4525		Relay (1.0) Calculated Property
ΔfG°	298.05	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	220.95	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	74.11	kJ/mol	Relay (1.0) Calculated Property
IE	8.69	eV	Relay (1.0) Calculated Property
log10WS	-2.72		Relay (1.0) Calculated Property
logPoct/wat	3.105		Crippen Calculated Property
McVol	150.530	ml/mol	McGowan Calculated Property
Pc	3851.77	kPa	Relay (1.0-beta) Calculated Property
Inp	[1775.00; 1775.00]
Inp	1775.00		NIST
Inp	1775.00		NIST
Tboil	573.40	K	Relay (1.0) Calculated Property
Tc	848.02	K	Relay (1.0) Calculated Property
Tfus	336.45	K	Relay (1.0) Calculated Property
Vc	0.558	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Pyrazine, 2-chloro-3-(4-methylphenyl)-.

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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