Chemical Properties of Piperidine, 1-ethyl-3-methyl- (CAS 2162-86-9)

InChI

InChI=1S/C8H17N/c1-3-9-6-4-5-8(2)7-9/h8H,3-7H2,1-2H3

InChI Key

YSPBEFPTFBRJBH-UHFFFAOYSA-N

Formula

C8H17N

SMILES

CCN1CCCC(C)C1

Molecular Weight¹

127.23

CAS

2162-86-9

Other Names

• 1-ethyl-3-methylpiperidine

• 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	0.3106		Relay (1.0) Calculated Property
ΔfG°	128.79	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-92.94	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	43.20	kJ/mol	Relay (1.0) Calculated Property
IE	7.82	eV	Relay (1.0) Calculated Property
log10WS	-0.71		Relay (1.0) Calculated Property
logPoct/wat	1.738		Crippen Calculated Property
McVol	122.700	ml/mol	McGowan Calculated Property
Pc	2943.29	kPa	Relay (1.0-beta) Calculated Property
Inp	908.00		NIST
I	[1033.00; 1033.00]
I	1033.00		NIST
I	1033.00		NIST
Tboil	416.09	K	Relay (1.0) Calculated Property
Tc	606.77	K	Relay (1.0) Calculated Property
Tfus	196.74	K	Relay (1.0) Calculated Property
Vc	0.439	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Piperidine, 1-ethyl-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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