Chemical Properties of Pyrazine, 2,3-dichloro- (CAS 4858-85-9)

InChI

InChI=1S/C4H2Cl2N2/c5-3-4(6)8-2-1-7-3/h1-2H

InChI Key

MLCNOCRGSBCAGH-UHFFFAOYSA-N

Formula

C4H2Cl2N2

SMILES

Clc1nccnc1Cl

Molecular Weight¹

148.98

CAS

4858-85-9

Other Names

• 2,3-Dichloropyrazine

• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔvapH°	51.20	kJ/mol	Relay (1.0) Calculated Property
log10WS	-1.20		Relay (1.0) Calculated Property
logPoct/wat	1.783		Crippen Calculated Property
McVol	87.900	ml/mol	McGowan Calculated Property
Inp	[1032.00; 1032.00]
Inp	1032.00		NIST
Inp	1032.00		NIST
I	[1581.00; 1581.00]
I	1581.00		NIST
I	1581.00		NIST
Tboil	465.47	K	Relay (1.0) Calculated Property
Tfus	347.66	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Find more compounds similar to Pyrazine, 2,3-dichloro-.

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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