Chemical Properties of Pyrazine, 3-butyl-2,5-dimethyl- (CAS 40790-29-2)

InChI

InChI=1S/C10H16N2/c1-4-5-6-10-9(3)11-7-8(2)12-10/h7H,4-6H2,1-3H3

InChI Key

UWJKKFNWVRAFPM-UHFFFAOYSA-N

Formula

C10H16N2

SMILES

CCCCc1nc(C)cnc1C

Molecular Weight¹

164.25

CAS

40790-29-2

Other Names

• 2,5-Dimethyl-3-butylpyrazine
• 3-Butyl-2,5-dimethylpyrazine
• 2-Butyl-3,6-dimethylpyrazine

• 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	17.44	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	63.32	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	2.436		Crippen Calculated Property
McVol	147.960	ml/mol	McGowan Calculated Property
Inp	[1263.00; 1263.00]
Inp	1263.00		NIST
Inp	1263.00		NIST
Inp	1263.00		NIST
I	[1487.00; 1487.00]
I	1487.00		NIST
I	1487.00		NIST
Tboil	494.66	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, 3-butyl-2,5-dimethyl-.

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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