Chemical Properties of Azoxystrobin (CAS 131860-33-8)

InChI

InChI=1S/C22H17N3O5/c1-27-13-17(22(26)28-2)16-8-4-6-10-19(16)30-21-11-20(24-14-25-21)29-18-9-5-3-7-15(18)12-23/h3-11,13-14H,1-2H3/b17-13+

InChI Key

WFDXOXNFNRHQEC-GHRIWEEISA-N

Formula

C22H17N3O5

SMILES

COC=C(C(=O)OC)c1ccccc1Oc1cc(Oc2ccccc2C#N)ncn1

Molecular Weight¹

403.39

CAS

131860-33-8

Other Names

• Azoxystrobine x
• Benzeneacetic acid, 2-[[6-(2-cyanophenoxy)-4-pyrimidinyl]oxy]-«alpha»-(methoxymethylene)-, methyl ester, («alpha»E)-
• Methyl (E)-2-((6-(2-cyanophenoxy)-4-pyrimidinyl)oxy)-alpha-(methoxymethylene)benzeneacetate
• methyl (E)-2-(2-((6-(2-cyanophenoxy)pyrimidin-4-yl)oxy)phenyl)-3-methoxyacrylate

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• 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

Similar Compounds

Find more compounds similar to Azoxystrobin.

Mixtures

• Azoxystrobin + Methyl Alcohol
• Azoxystrobin + Ethanol
• Azoxystrobin + 1-Propanol
• Azoxystrobin + Isopropyl Alcohol
• Azoxystrobin + 1-Butanol
• Azoxystrobin + 1-Propanol, 2-methyl-
• Azoxystrobin + Ethyl Acetate
• Azoxystrobin + 1-Propanol + Ethyl Acetate
• Azoxystrobin + Ethyl Acetate + Methyl Alcohol
• Azoxystrobin + Norflurane
• Azoxystrobin + Carbon dioxide

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
• Measurement and Correlation of the Solubility of Azoxystrobin in Seven Monosolvents and Two Different Binary Mixed Solvents
• Measurement and Correlation of the Solubilities of Azoxystrobin, Flutriafol, and Tebuconazole in Subcritical 1,1,1,2-Tetrafluoroethane
• Solubility of Azoxystrobin and Benflumetol in Compressed CO2-Measured by the Static Precise Mass Measuring Method
• McGowan Method
• NIST Webbook

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