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_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.3893		Relay (1.0) Calculated Property
ΔfH°gas	-201.17	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	68.72	kJ/mol	Relay (1.0) Calculated Property
IE	7.78	eV	Relay (1.0) Calculated Property
logPoct/wat	4.077		Crippen Calculated Property
McVol	210.470	ml/mol	McGowan Calculated Property
Pc	1590.99	kPa	Relay (1.0-beta) 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 (1.0) Calculated Property
Tc	785.05	K	Relay (1.0) Calculated Property
Tfus	333.13	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l 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 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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