Chemical Properties of 2-propenylpyrazine

InChI

InChI=1S/C7H8N2/c1-2-3-7-6-8-4-5-9-7/h2,4-6H,1,3H2

InChI Key

NQRKCUVPFJKKOJ-UHFFFAOYSA-N

Formula

C7H8N2

SMILES

C=CCc1cnccn1

Molecular Weight¹

120.15

Other Names

• 2-prop-2-enylpyrazine

• 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
ΔvapH°	53.80	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	1.205		Crippen Calculated Property
McVol	101.390	ml/mol	McGowan Calculated Property
Inp	1043.00		NIST
I	[1546.00; 1546.00]
I	1546.00		NIST
I	1546.00		NIST
Tboil	449.97	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-propenylpyrazine.

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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