Chemical Properties of 4-(2-(Pyridin-2-yl)ethyl)phenol (CAS 3767-85-9)

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

CAS

3767-85-9

• 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	0.6510		Relay (1.0) Calculated Property
ΔfG°	152.97	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	38.78	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	98.17	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	3994.68	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	879.24	K	Relay (1.0) Calculated Property
Tfus	371.08	K	Relay (1.0) Calculated Property
Vc	0.590	m3/kmol	Relay (1.0) Calculated Property

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

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