Chemical Properties of Flusilazole (CAS 96827-34-8)

InChI

InChI=1S/C16H15F2N3Si/c1-22(12-21-11-19-10-20-21,15-6-2-13(17)3-7-15)16-8-4-14(18)5-9-16/h2-11H,12H2,1H3

InChI Key

FQKUGOMFVDPBIZ-UHFFFAOYSA-N

Formula

C16H15F2N3Si

SMILES

C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1

Molecular Weight¹

315.39

CAS

96827-34-8

Other Names

• 1-[[Bis(4-fluorophenyl)methylsilyl]methyl]-1H-1,2,4- triazole
• DPX-H 6573
• Fluzilazol
• Nustar
• Olymp
• Punch
• Sanction
• 1H-1,2,4-Triazole, 1-[[bis(4-fluorophenyl)methylsilyl]methyl]-
• Flusilazol
• 1 H-1,2,4-Triazole, 1-[[bis(4-fluorophenyl ) methylsily] - (9CI)

• 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.
• 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	0.5763		Relay (1.0) Calculated Property
ΔfG°	266.21	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-47.80	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	98.71	kJ/mol	Relay (1.0) Calculated Property
IE	9.12	eV	Relay (1.0) Calculated Property
log10WS	-4.47		Relay (1.0) Calculated Property
logPoct/wat	1.988		Crippen Calculated Property
Pc	2276.66	kPa	Relay (1.0-beta) Calculated Property
Inp	[2202.00; 2202.00]
Inp	2202.00		NIST
Inp	2202.00		NIST
Tboil	638.46	K	Relay (1.0) Calculated Property
Tc	941.64	K	Relay (1.0) Calculated Property
Tfus	322.89	K	Relay (1.0) Calculated Property
Vc	0.825	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Flusilazole.

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
• NIST Webbook

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