Chemical Properties of Piperidine, 1,3-dimethyl- (CAS 695-35-2)

InChI

InChI=1S/C7H15N/c1-7-4-3-5-8(2)6-7/h7H,3-6H2,1-2H3

InChI Key

ONQLCPDIXPYJSS-UHFFFAOYSA-N

Formula

C7H15N

SMILES

CC1CCCN(C)C1

Molecular Weight¹

113.20

CAS

695-35-2

Other Names

• 1,3-Dimethylpiperidine
• 3-Pipecoline, 1-methyl-

• 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	0.2906		Relay (1.0) Calculated Property
ΔfG°	125.31	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-67.13	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	39.51	kJ/mol	Relay (1.0) Calculated Property
IE	7.76 ± 0.05	eV	NIST
log10WS	-0.11		Relay (1.0) Calculated Property
logPoct/wat	1.348		Crippen Calculated Property
McVol	108.610	ml/mol	McGowan Calculated Property
Pc	3398.72	kPa	Relay (1.0-beta) Calculated Property
Inp	[826.00; 832.00]
Inp	832.00		NIST
Inp	826.00		NIST
Inp	826.00		NIST
Inp	832.00		NIST
I	[970.00; 970.00]
I	970.00		NIST
I	970.00		NIST
Tboil	388.00	K	Relay (1.0) Calculated Property
Tc	587.37	K	Relay (1.0) Calculated Property
Tfus	192.49	K	Relay (1.0) Calculated Property
Vc	0.392	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Piperidine, 1,3-dimethyl-.

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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