Chemical Properties of 2-(O-isopropylphenoxy)-3-methyl pyrazine (CAS 116660-40-3)

InChI

InChI=1S/C14H16N2O/c1-10(2)12-6-4-5-7-13(12)17-14-11(3)15-8-9-16-14/h4-10H,1-3H3

InChI Key

CZGWVSUJMLUQBW-UHFFFAOYSA-N

Formula

C14H16N2O

SMILES

Cc1nccnc1Oc1ccccc1C(C)C

Molecular Weight¹

228.29

CAS

116660-40-3

• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Enthalpy of formation at standard conditions, Enthalpy of vaporization 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-(O-isopropylphenoxy)-3-methyl 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

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