Chemical Properties of 3,5-dipentyl-2-hexyl-pyridine

InChI

InChI=1S/C21H37N/c1-4-7-10-13-16-21-20(15-12-9-6-3)17-19(18-22-21)14-11-8-5-2/h17-18H,4-16H2,1-3H3

InChI Key

HHSSUILMGDVUQU-UHFFFAOYSA-N

Formula

C21H37N

SMILES

CCCCCCc1ncc(CCCCC)cc1CCCCC

Molecular Weight¹

303.53

• 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	0.8822		Relay (... Calculated Property
ΔfG°	226.21	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-239.69	kJ/mol	Relay (... Calculated Property
ΔvapH°	98.69	kJ/mol	Relay (... Calculated Property
IE	8.62	eV	Relay (... Calculated Property
log10WS	-6.57		Relay (... Calculated Property
logPoct/wat	6.670		Crippen Calculated Property
McVol	292.970	ml/mol	McGowan Calculated Property
Pc	1294.89	kPa	Relay (... Calculated Property ⚠️
Inp	[2200.00; 2200.00]
Inp	2200.00		NIST
Inp	2200.00		NIST
Tboil	626.80	K	Relay (... Calculated Property
Tc	824.97	K	Relay (... Calculated Property
Tfus	269.88	K	Relay (... Calculated Property
Vc	1.127	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to 3,5-dipentyl-2-hexyl-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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