Chemical Properties of Piperidine, 1-(4-tert.-butylcyclohexyl), (e)

InChI

InChI=1S/C15H29N/c1-15(2,3)13-7-9-14(10-8-13)16-11-5-4-6-12-16/h13-14H,4-12H2,1-3H3

InChI Key

VEOVFBUOUILRDZ-UHFFFAOYSA-N

Formula

C15H29N

SMILES

CC(C)(C)C1CCC(N2CCCCC2)CC1

Molecular Weight¹

223.40

• 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 : 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	0.3893		Relay (... Calculated Property
ΔfG°	187.54	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-201.17	kJ/mol	Relay (... Calculated Property
ΔvapH°	66.77	kJ/mol	Relay (... Calculated Property
IE	7.78	eV	Relay (... Calculated Property
log10WS	-3.52		Relay (... Calculated Property
logPoct/wat	4.077		Crippen Calculated Property
McVol	210.470	ml/mol	McGowan Calculated Property
Pc	1607.12	kPa	Relay (... Calculated Property ⚠️
I	[1844.00; 1887.00]
I	1844.00		NIST
I	1865.00		NIST
I	1887.00		NIST
I	1844.00		NIST
Tboil	562.47	K	Relay (... Calculated Property
Tc	780.99	K	Relay (... Calculated Property
Tfus	341.49	K	Relay (... Calculated Property
Vc	0.747	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Piperidine, 1-(4-tert.-butylcyclohexyl), (e).

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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