Chemical Properties of Fenarimol (CAS 60168-88-9)

InChI

InChI=1S/C17H12Cl2N2O/c18-14-7-5-12(6-8-14)17(22,13-9-20-11-21-10-13)15-3-1-2-4-16(15)19/h1-11,22H

InChI Key

NHOWDZOIZKMVAI-UHFFFAOYSA-N

Formula

C17H12Cl2N2O

SMILES

OC(c1ccc(Cl)cc1)(c1cncnc1)c1ccccc1Cl

Molecular Weight¹

331.20

CAS

60168-88-9

Other Names

• (2-Chlorophenyl)-«alpha»-(4-chlorophenyl)-5-pyrimidinemethanol
• (2-Chlorophenyl)-«alpha»-(4-chlorophenyl)-5-pyrimidinemethanol
• (2-chlorophenyl)-(4-chlorophenyl)-pyrimidin-5-ylmethanol
• 2,4'-dichloro-«alpha»(pyrimidin-5-yl)benzhydryl alcohol
• 2,4'-dichloro-«alpha»(pyrimidin-5-yl)benzhydryl alcohol
• 5-Pyrimidinemethanol, «alpha»-(2-chlorophenyl)-«alpha»-(4-chlorophenyl)-
• 5-Pyrimidinemethanol, «alpha»-(2-chlorophenyl)-«alpha»-(4-chlorophenyl)-
• BLOC
• EL 222
• Rimidin
• Rubigan
• «alpha»-(2-Chlorophenyl)-«alpha»-(4-chlorophenyl)-5-pyrimidinemethanol
• «alpha»-(2-Chlorophenyl)-«alpha»-(4-chlorophenyl)-5-pyrimidinemethanol

• 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	0.7586		Relay (1.0) Calculated Property
ΔfG°	269.12	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	169.58	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	119.34	kJ/mol	Relay (1.0) Calculated Property
IE	9.10	eV	Relay (1.0) Calculated Property
log10WS	[-4.38; -4.38]
log10WS	-4.38		Aq. Solubility Prediction
log10WS	-4.38		Estimated Solubility
logPoct/wat	4.068		Crippen Calculated Property
McVol	229.420	ml/mol	McGowan Calculated Property
Pc	2530.22	kPa	Relay (1.0-beta) Calculated Property
Inp	[2561.00; 2602.00]
Inp	2574.00		NIST
Inp	2602.00		NIST
Inp	2602.00		NIST
Inp	2561.00		NIST
Inp	2602.00		NIST
Inp	2574.00		NIST
Tboil	651.67	K	Relay (1.0) Calculated Property
Tc	1041.38	K	Relay (1.0) Calculated Property
Tfus	371.70	K	Relay (1.0) Calculated Property
Vc	0.804	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Fenarimol.

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
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook

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