Chemical Properties of Triarimol (CAS 26766-27-8)

InChI

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

InChI Key

MYUPFXPCYUISAG-UHFFFAOYSA-N

Formula

C17H12Cl2N2O

SMILES

OC(c1ccccc1)(c1cncnc1)c1ccc(Cl)cc1Cl

Molecular Weight¹

331.20

CAS

26766-27-8

Other Names

• 5-Pyrimidinemethanol, «alpha»-(2,4-dichlorophenyl)-«alpha»-phenyl-
• EL 273
• «alpha»-(2,4-Dichlorophenyl)-«alpha»-phenyl-5-pyrimidinemethanol
• Trimidal
• Phenyl-(2,4-dichlorophenyl)-(5-pyrimidinyl)carbinol

• 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.
• I : 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	0.7547		Relay (1.0) Calculated Property
ΔfG°	266.76	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	179.40	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	116.22	kJ/mol	Relay (1.0) Calculated Property
IE	9.13	eV	Relay (1.0) Calculated Property
log10WS	-4.09		Relay (1.0) Calculated Property
logPoct/wat	4.068		Crippen Calculated Property
McVol	229.420	ml/mol	McGowan Calculated Property
Pc	2546.76	kPa	Relay (1.0-beta) Calculated Property
Inp	[2890.00; 2890.00]
Inp	2890.00		NIST
Inp	2890.00		NIST
I	[3800.00; 3800.00]
I	3800.00		NIST
I	3800.00		NIST
Tboil	649.89	K	Relay (1.0) Calculated Property
Tc	1041.79	K	Relay (1.0) Calculated Property
Tfus	368.86	K	Relay (1.0) Calculated Property
Vc	0.805	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Triarimol.

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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