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_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	0.5865		Relay (1.0) Calculated Property
ΔvapH°	86.65	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	2827.28	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	837.41	K	Relay (1.0) Calculated Property
Tfus	313.81	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, 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 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

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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