Chemical Properties of 2-(2-furfuryl)pyrazine

InChI

InChI=1S/C9H8N2O/c1-2-9(12-5-1)6-8-7-10-3-4-11-8/h1-5,7H,6H2

InChI Key

RLPOAXAHNABIKV-UHFFFAOYSA-N

Formula

C9H8N2O

SMILES

c1coc(Cc2cnccn2)c1

Molecular Weight¹

160.17

Other Names

• Pyrazine, 2-(2-furfuryl)

• 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.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔvapH°	66.63	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	1.660		Crippen Calculated Property
McVol	120.280	ml/mol	McGowan Calculated Property
Inp	[1279.00; 1279.00]
Inp	1279.00		NIST
Inp	1279.00		NIST
Inp	1279.00		NIST
Tboil	523.11	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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 2-(2-furfuryl)pyrazine.

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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