Chemical Properties of Pyrazine, 2-chloro-3-methyl- (CAS 95-58-9)

InChI

InChI=1S/C5H5ClN2/c1-4-5(6)8-3-2-7-4/h2-3H,1H3

InChI Key

WZHWPZQQPWKEAV-UHFFFAOYSA-N

Formula

C5H5ClN2

SMILES

Cc1nccnc1Cl

Molecular Weight¹

128.56

CAS

95-58-9

Other Names

• 2-Chloro-3-methylpyrazine
• 2-Methyl-3-chloropyrazine
• 3-Chloro-2-methyl pyrazine

• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	105.28	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	50.21	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	1.438		Crippen Calculated Property
McVol	89.750	ml/mol	McGowan Calculated Property
Inp	[951.00; 951.00]
Inp	951.00		NIST
Inp	951.00		NIST
I	[1399.00; 1399.00]
I	1399.00		NIST
I	1399.00		NIST
Tboil	453.14	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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-chloro-3-methyl-.

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.
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