Chemical Properties of Phenyl-(4-hydroxyphenyl)-(3-pyridyl)carbinol

InChI

InChI=1S/C18H15NO2/c20-17-10-8-15(9-11-17)18(21,14-5-2-1-3-6-14)16-7-4-12-19-13-16/h1-13,20-21H

InChI Key

YEXGCRWNATVUMN-UHFFFAOYSA-N

Formula

C18H15NO2

SMILES

Oc1ccc(C(O)(c2ccccc2)c2cccnc2)cc1

Molecular Weight¹

277.32

• 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	0.8154		Relay (1.0) Calculated Property
ΔfG°	136.87	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	64.61	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	119.80	kJ/mol	Relay (1.0) Calculated Property
IE	8.53	eV	Relay (1.0) Calculated Property
log10WS	-2.59		Relay (1.0) Calculated Property
logPoct/wat	3.071		Crippen Calculated Property
McVol	214.920	ml/mol	McGowan Calculated Property
Pc	3009.38	kPa	Relay (1.0-beta) Calculated Property
Inp	2556.00		NIST
I	[3959.00; 3959.00]
I	3959.00		NIST
I	3959.00		NIST
Tboil	651.37	K	Relay (1.0) Calculated Property
Tc	1039.27	K	Relay (1.0) Calculated Property
Tfus	426.77	K	Relay (1.0) Calculated Property
Vc	0.750	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Phenyl-(4-hydroxyphenyl)-(3-pyridyl)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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