Chemical Properties of Piperidine, 1,2,6-trimethyl-

InChI

InChI=1S/C8H17N/c1-7-5-4-6-8(2)9(7)3/h7-8H,4-6H2,1-3H3

InChI Key

COSHJOZVKGAYBP-UHFFFAOYSA-N

Formula

C8H17N

SMILES

CC1CCCC(C)N1C

Molecular Weight¹

127.23

Other Names

• 1,2,6-Trimethylpiperidine

• 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).
• 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	0.2800		Relay (1.0) Calculated Property
ΔfG°	134.78	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-125.61	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	42.27	kJ/mol	Relay (1.0) Calculated Property
IE	7.52	eV	Relay (1.0) Calculated Property
logPoct/wat	1.879		Crippen Calculated Property
McVol	122.700	ml/mol	McGowan Calculated Property
Pc	3189.46	kPa	Relay (1.0-beta) Calculated Property
Inp	[909.00; 909.00]
Inp	909.00		NIST
Inp	909.00		NIST
I	[1050.00; 1050.00]
I	1050.00		NIST
I	1050.00		NIST
Tboil	422.88	K	Relay (1.0) Calculated Property
Tc	631.83	K	Relay (1.0) Calculated Property
Tfus	225.39	K	Relay (1.0) Calculated Property
Vc	0.437	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Similar Compounds

Find more compounds similar to Piperidine, 1,2,6-trimethyl-.

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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