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

• Δ_fH°_gas : Enthalpy of formation 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).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	64.61	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
Inp	[2556.00; 2556.00]
Inp	2556.00		NIST
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
Tfus	433.84	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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