Chemical Properties of propiconazole-1

InChI

InChI=1S/C15H17Cl2N3O2/c1-2-3-12-7-21-15(22-12,8-20-10-18-9-19-20)13-5-4-11(16)6-14(13)17/h4-6,9-10,12H,2-3,7-8H2,1H3

InChI Key

STJLVHWMYQXCPB-UHFFFAOYSA-N

Formula

C15H17Cl2N3O2

SMILES

CCCC1COC(Cn2cncn2)(c2ccc(Cl)cc2Cl)O1

Molecular Weight¹

342.22

Other Names

• Propiconazole I

• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	-3.89		Relay (1.0) Calculated Property
logPoct/wat	3.653		Crippen Calculated Property
McVol	234.290	ml/mol	McGowan Calculated Property
Inp	[2333.00; 2342.00]
Inp	2333.00		NIST
Inp	2342.00		NIST
Inp	2333.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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 propiconazole-1.

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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