Chemical Properties of Piperidine, 1,2,6-trimethyl- (CAS 669-81-8)

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

CAS

669-81-8

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).
• 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	0.2800		Relay (... Calculated Property
ΔfG°	134.78	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-125.61	kJ/mol	Relay (... Calculated Property
ΔvapH°	40.24	kJ/mol	Relay (... Calculated Property
IE	7.52	eV	Relay (... Calculated Property
log10WS	-0.34		Relay (... Calculated Property
logPoct/wat	1.879		Crippen Calculated Property
McVol	122.700	ml/mol	McGowan Calculated Property
Pc	3194.16	kPa	Relay (... 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 (... Calculated Property
Tc	624.69	K	Relay (... Calculated Property
Tfus	234.24	K	Relay (... Calculated Property
Vc	0.433	m3/kmol	Relay (... Calculated Property

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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