Chemical Properties of Phenyl-(2-chlorophenyl)-(1-imidazolyl) carbinol

InChI

InChI=1S/C16H13ClN2O/c17-15-9-5-4-8-14(15)16(20,19-11-10-18-12-19)13-6-2-1-3-7-13/h1-12,20H

InChI Key

NRUPNNHIPZMULJ-UHFFFAOYSA-N

Formula

C16H13ClN2O

SMILES

OC(c1ccccc1)(c1ccccc1Cl)n1ccnc1

Molecular Weight¹

284.74

Other Names

• Phenyl-(2-chlorophenyl)-imidazolyl 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	0.7236		Relay (1.0) Calculated Property
ΔfG°	303.39	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	141.76	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	114.17	kJ/mol	Relay (1.0) Calculated Property
IE	8.94	eV	Relay (1.0) Calculated Property
log10WS	-3.35		Relay (1.0) Calculated Property
logPoct/wat	3.278		Crippen Calculated Property
McVol	207.390	ml/mol	McGowan Calculated Property
Pc	2717.33	kPa	Relay (1.0-beta) Calculated Property
Inp	[2239.00; 2239.00]
Inp	2239.00		NIST
Inp	2239.00		NIST
I	[3236.00; 3236.00]
I	3236.00		NIST
I	3236.00		NIST
Tboil	638.78	K	Relay (1.0) Calculated Property
Tc	1009.45	K	Relay (1.0) Calculated Property
Tfus	367.11	K	Relay (1.0) Calculated Property
Vc	0.751	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Phenyl-(2-chlorophenyl)-(1-imidazolyl) carbinol.

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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