Chemical Properties of Prochloraz (CAS 68444-81-5)

InChI

InChI=1S/C15H16Cl3N3O2/c1-2-5-20(15(22)21-6-3-4-19-21)7-8-23-14-12(17)9-11(16)10-13(14)18/h3-4,6,9-10H,2,5,7-8H2,1H3

InChI Key

IVCITWHJIOQNBI-UHFFFAOYSA-N

Formula

C15H16Cl3N3O2

SMILES

CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)n1cccn1

Molecular Weight¹

376.67

CAS

68444-81-5

Other Names

• 1H-Imidazole-1-carboxamide, N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-
• Ascurit
• BTS 40542
• Mirage
• N-Propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-1H-imidazole-1-carboxamide
• Octave
• Omega
• Prelude
• Sporgon
• Sportak
• BTS 40542-7877
• DMI
• KI 835
• Mirage (pesticide)
• cyproconazole

• 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	0.8459		Relay (1.0) Calculated Property
ΔfG°	137.49	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-151.77	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	110.18	kJ/mol	Relay (1.0) Calculated Property
IE	8.63	eV	Relay (1.0) Calculated Property
log10WS	-5.04		Relay (1.0) Calculated Property
logPoct/wat	4.602		Crippen Calculated Property
McVol	253.090	ml/mol	McGowan Calculated Property
Pc	1892.85	kPa	Relay (1.0-beta) Calculated Property
Inp	[2666.00; 2666.00]
Inp	2666.00		NIST
Inp	2666.00		NIST
Tboil	648.74	K	Relay (1.0) Calculated Property
Tc	953.27	K	Relay (1.0) Calculated Property
Tfus	342.83	K	Relay (1.0) Calculated Property
Vc	0.923	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Prochloraz.

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.