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_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 (1.0) Calculated Property
ΔvapH°	100.38	kJ/mol	Relay (1.0) Calculated Property
IE	8.62	eV	Relay (1.0) Calculated Property
log10WS	-6.57		Relay (1.0) Calculated Property
logPoct/wat	6.670		Crippen Calculated Property
McVol	292.970	ml/mol	McGowan Calculated Property
Pc	1258.77	kPa	Relay (1.0-beta) Calculated Property
Inp	[2200.00; 2200.00]
Inp	2200.00		NIST
Inp	2200.00		NIST
Tboil	626.80	K	Relay (1.0) Calculated Property
Tc	828.10	K	Relay (1.0) Calculated Property
Tfus	263.40	K	Relay (1.0) Calculated Property
Vc	1.129	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate 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 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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