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

• 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

Property	Value	Unit	Source
ω	0.6409		Relay (1.0) Calculated Property
ΔfG°	183.83	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-117.48	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	114.96	kJ/mol	Relay (1.0) Calculated Property
IE	8.96	eV	Relay (1.0) Calculated Property
log10WS	-3.89		Relay (1.0) Calculated Property
logPoct/wat	3.653		Crippen Calculated Property
McVol	234.290	ml/mol	McGowan Calculated Property
Pc	2060.45	kPa	Relay (1.0-beta) Calculated Property
Inp	[2333.00; 2342.00]
Inp	2333.00		NIST
Inp	2342.00		NIST
Inp	2333.00		NIST
Tboil	653.37	K	Relay (1.0) Calculated Property
Tc	937.63	K	Relay (1.0) Calculated Property
Tfus	323.83	K	Relay (1.0) Calculated Property
Vc	0.882	m3/kmol	Relay (1.0) Calculated Property

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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