Chemical Properties of 2-(3-Phenoxypropyl)pyridine

InChI

InChI=1S/C14H15NO/c1-2-9-14(10-3-1)16-12-6-8-13-7-4-5-11-15-13/h1-5,7,9-11H,6,8,12H2

InChI Key

ILLDSSJXSHITSG-UHFFFAOYSA-N

Formula

C14H15NO

SMILES

c1ccc(OCCCc2ccccn2)cc1

Molecular Weight¹

213.28

• 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	0.5865		Relay (1.0) Calculated Property
ΔfG°	196.36	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	34.39	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	86.89	kJ/mol	Relay (1.0) Calculated Property
IE	8.50	eV	Relay (1.0) Calculated Property
log10WS	-2.49		Relay (1.0) Calculated Property
logPoct/wat	3.093		Crippen Calculated Property
McVol	176.450	ml/mol	McGowan Calculated Property
Pc	2838.14	kPa	Relay (1.0-beta) Calculated Property
Inp	[1815.00; 1815.00]
Inp	1815.00		NIST
Inp	1815.00		NIST
Tboil	587.15	K	Relay (1.0) Calculated Property
Tc	836.02	K	Relay (1.0) Calculated Property
Tfus	317.82	K	Relay (1.0) Calculated Property
Vc	0.663	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 2-(3-Phenoxypropyl)pyridine.

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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