Chemical Properties of 4-(2-(Pyridin-2-yl)ethyl)phenol

InChI

InChI=1S/C13H13NO/c15-13-8-5-11(6-9-13)4-7-12-3-1-2-10-14-12/h1-3,5-6,8-10,15H,4,7H2

InChI Key

RZKWYCPJVXNMMC-UHFFFAOYSA-N

Formula

C13H13NO

SMILES

Oc1ccc(CCc2ccccn2)cc1

Molecular Weight¹

199.25

• ω : Acentric Factor.
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.6510		Relay (1.0) Calculated Property
ΔfH°gas	38.78	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	97.80	kJ/mol	Relay (1.0) Calculated Property
IE	8.58	eV	Relay (1.0) Calculated Property
log10WS	-1.87		Relay (1.0) Calculated Property
logPoct/wat	2.572		Crippen Calculated Property
McVol	162.360	ml/mol	McGowan Calculated Property
Pc	4027.27	kPa	Relay (1.0-beta) Calculated Property
Inp	[1900.90; 1900.90]
Inp	1900.90		NIST
Inp	1900.90		NIST
Tboil	607.82	K	Relay (1.0) Calculated Property
Tc	878.60	K	Relay (1.0) Calculated Property
Tfus	369.94	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation 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 4-(2-(Pyridin-2-yl)ethyl)phenol.

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.
These property values are available through the Cheméo API. A free account gives you an access key.