Chemical Properties of Fluquinconazole (CAS 136426-54-5)

InChI

InChI=1S/C16H8Cl2FN5O/c17-9-1-4-14(12(18)5-9)24-15(25)11-6-10(19)2-3-13(11)22-16(24)23-8-20-7-21-23/h1-8H

InChI Key

IJJVMEJXYNJXOJ-UHFFFAOYSA-N

Formula

C16H8Cl2FN5O

SMILES

O=c1c2cc(F)ccc2nc(-n2cncn2)n1-c1ccc(Cl)cc1Cl

Molecular Weight¹

376.17

CAS

136426-54-5

Other Names

• 3-(2,4-Dichlorophenyl)-6-fluoro-2-(1H-1,2,4-triazol-1-yl)quinazolin-4(3H)-one
• 3-(2,4-Dichlorophenyl)-6-fluoro-2-(1H-1,2,4-triazol-1-yl)-4(3H)-quinazolinone
• 4(3H)-Quinazolinone, 3-(2,4-dichlorophenyl)-6-fluoro-2-(1H-1,2,4-triazol-1-yl)-

• 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	0.7713		Relay (1.0) Calculated Property
ΔfG°	315.61	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	174.10	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	137.54	kJ/mol	Relay (1.0) Calculated Property
IE	8.51	eV	Relay (1.0) Calculated Property
log10WS	-5.78		Relay (1.0) Calculated Property
logPoct/wat	3.412		Crippen Calculated Property
McVol	231.880	ml/mol	McGowan Calculated Property
Pc	3235.19	kPa	Relay (1.0-beta) Calculated Property
Inp	[2729.00; 2729.00]
Inp	2729.00		NIST
Inp	2729.00		NIST
Tboil	726.84	K	Relay (1.0) Calculated Property
Tc	1146.50	K	Relay (1.0) Calculated Property
Tfus	496.73	K	Relay (1.0) Calculated Property
Vc	0.871	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Fluquinconazole.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.