Chemical Properties of Piperidine, 1-hexyl-3-methyl

InChI

InChI=1S/C12H25N/c1-3-4-5-6-9-13-10-7-8-12(2)11-13/h12H,3-11H2,1-2H3

InChI Key

VVZBHHVBQAFFQP-UHFFFAOYSA-N

Formula

C12H25N

SMILES

CCCCCCN1CCCC(C)C1

Molecular Weight¹

183.33

• 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.
• I : 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	0.4876		Relay (... Calculated Property
ΔfG°	145.29	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-183.91	kJ/mol	Relay (... Calculated Property
ΔvapH°	60.58	kJ/mol	Relay (... Calculated Property
IE	7.67	eV	Relay (... Calculated Property
log10WS	-2.82		Relay (... Calculated Property
logPoct/wat	3.299		Crippen Calculated Property
McVol	179.060	ml/mol	McGowan Calculated Property
Pc	1995.94	kPa	Relay (... Calculated Property ⚠️
Inp	[1274.00; 1274.00]
Inp	1274.00		NIST
Inp	1274.00		NIST
I	[1375.00; 1375.00]
I	1375.00		NIST
I	1375.00		NIST
Tboil	500.09	K	Relay (... Calculated Property
Tc	683.07	K	Relay (... Calculated Property
Tfus	228.45	K	Relay (... Calculated Property
Vc	0.663	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Piperidine, 1-hexyl-3-methyl.

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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