Chemical Properties of Imidazole, 1-[1-(4-chloro-2-trifluoromethylphenylimino)-2-propoxyethyl

InChI

InChI=1S/C14H13ClF3N3O/c1-2-7-22-13(21-6-5-19-9-21)20-12-4-3-10(15)8-11(12)14(16,17)18/h3-6,8-9H,2,7H2,1H3

InChI Key

ICPXOBRVTVXPQP-UHFFFAOYSA-N

Formula

C14H13ClF3N3O

SMILES

CCCOC(=Nc1ccc(Cl)cc1C(F)(F)F)n1ccnc1

Molecular Weight¹

331.72

• 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	0.7282		Relay (1.0) Calculated Property
ΔfG°	-303.79	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-623.94	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	85.78	kJ/mol	Relay (1.0) Calculated Property
IE	8.69	eV	Relay (1.0) Calculated Property
log10WS	-5.24		Relay (1.0) Calculated Property
logPoct/wat	4.518		Crippen Calculated Property
McVol	213.960	ml/mol	McGowan Calculated Property
Pc	2142.30	kPa	Relay (1.0-beta) Calculated Property
Inp	[2117.00; 2117.00]
Inp	2117.00		NIST
Inp	2117.00		NIST
Tboil	620.53	K	Relay (1.0) Calculated Property
Tc	856.46	K	Relay (1.0) Calculated Property
Tfus	330.05	K	Relay (1.0) Calculated Property
Vc	0.779	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Imidazole, 1-[1-(4-chloro-2-trifluoromethylphenylimino)-2-propoxyethyl.

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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