Chemical Properties of Pyridine, 4-(3-phenylpropyl)- (CAS 2057-49-0)

InChI

InChI=1S/C14H15N/c1-2-5-13(6-3-1)7-4-8-14-9-11-15-12-10-14/h1-3,5-6,9-12H,4,7-8H2

InChI Key

AQIIVEISJBBUCR-UHFFFAOYSA-N

Formula

C14H15N

SMILES

c1ccc(CCCc2ccncc2)cc1

Molecular Weight¹

197.28

CAS

2057-49-0

Other Names

• 1-(4-Pyridyl)-3-phenylpropane
• 4-(3-Phenylpropyl)pyridine
• 4-Phenylpropylpyridine

• 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	0.5119		Relay (1.0) Calculated Property
ΔfG°	319.66	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	174.84	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	86.58	kJ/mol	Relay (1.0) Calculated Property
IE	9.14	eV	Relay (1.0) Calculated Property
log10WS	-2.89		Relay (1.0) Calculated Property
logPoct/wat	3.257		Crippen Calculated Property
McVol	170.580	ml/mol	McGowan Calculated Property
Pc	2751.14	kPa	Relay (1.0-beta) Calculated Property
Inp	[1725.00; 1730.60]
Inp	1730.60		NIST
Inp	1725.00		NIST
Inp	1730.60		NIST
Tboil	579.51	K	Relay (1.0) Calculated Property
Tc	833.05	K	Relay (1.0) Calculated Property
Tfus	260.75	K	Relay (1.0) Calculated Property
Vc	0.646	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Pyridine, 4-(3-phenylpropyl)-.

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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