Chemical Properties of Piperidine, 2,6-dimethyl-, (2R,6S)-rel- (CAS 766-17-6)

InChI

InChI=1S/C7H15N/c1-6-4-3-5-7(2)8-6/h6-8H,3-5H2,1-2H3/t6-,7+

InChI Key

SDGKUVSVPIIUCF-KNVOCYPGSA-N

Formula

C7H15N

SMILES

C[C@@H]1CCC[C@H](C)N1

Molecular Weight¹

113.20

CAS

766-17-6

Other Names

• 2,6-Dimethylpiperidine
• 2,6-lupetidine, cis-
• Cis- 2,6-Dimethylpiperidine
• cis-2,6-dimethylpiperidine
• cis-2,6-lupetidine
• piperidine, 2,6-dimethyl-, cis-
• Piperidin, 2e,6e-dimethyl

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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	0.2853		Relay (1.0) Calculated Property
ΔfG°	112.51	kJ/mol	Joback Calculated Property
ΔfH°gas	-131.44	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	16.38	kJ/mol	Joback Calculated Property
ΔvapH°	[41.30; 42.40]	kJ/mol
ΔvapH°	41.30 ± 0.10	kJ/mol	NIST
ΔvapH°	42.40 ± 0.60	kJ/mol	NIST
IE	7.93 ± 0.05	eV	NIST
logPoct/wat	1.537		Crippen Calculated Property
McVol	108.610	ml/mol	McGowan Calculated Property
Pc	3488.88	kPa	Joback Calculated Property
Inp	832.00		NIST
Tboil	409.37	K	Relay (1.0) Calculated Property
Tc	601.09	K	Relay (1.0) Calculated Property
Tfus	222.03	K	Relay (1.0) Calculated Property
Vc	0.411	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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[39.70; 43.10]	kJ/mol	[298.15; 330.00]
ΔvapH	43.10	kJ/mol	298.15	The vaporization enthalpy and vapor pressure of S (+)-methamphetamine at T = 298.15 K by correlation gas chromatography
ΔvapH	39.70 ± 0.10	kJ/mol	330.00	NIST
Pvap	[1.56; 34.94]	kPa	[294.80; 365.00]
Pvap	1.56	kPa	294.80	Experimental Vapor Pressures of 2-Phenylethylamine, Benzylamine, Triethylamine, and cis-2,6-Dimethylpiperidine in the Range between 0.2 Pa and 75 kPa
Pvap	2.68	kPa	304.79	Experimental Vapor Pressures of 2-Phenylethylamine, Benzylamine, Triethylamine, and cis-2,6-Dimethylpiperidine in the Range between 0.2 Pa and 75 kPa
Pvap	4.42	kPa	314.76	Experimental Vapor Pressures of 2-Phenylethylamine, Benzylamine, Triethylamine, and cis-2,6-Dimethylpiperidine in the Range between 0.2 Pa and 75 kPa
Pvap	7.04	kPa	324.78	Experimental Vapor Pressures of 2-Phenylethylamine, Benzylamine, Triethylamine, and cis-2,6-Dimethylpiperidine in the Range between 0.2 Pa and 75 kPa
Pvap	10.92	kPa	334.94	Experimental Vapor Pressures of 2-Phenylethylamine, Benzylamine, Triethylamine, and cis-2,6-Dimethylpiperidine in the Range between 0.2 Pa and 75 kPa
Pvap	16.77	kPa	344.96	Experimental Vapor Pressures of 2-Phenylethylamine, Benzylamine, Triethylamine, and cis-2,6-Dimethylpiperidine in the Range between 0.2 Pa and 75 kPa
Pvap	24.53	kPa	354.98	Experimental Vapor Pressures of 2-Phenylethylamine, Benzylamine, Triethylamine, and cis-2,6-Dimethylpiperidine in the Range between 0.2 Pa and 75 kPa
Pvap	34.94	kPa	365.00	Experimental Vapor Pressures of 2-Phenylethylamine, Benzylamine, Triethylamine, and cis-2,6-Dimethylpiperidine in the Range between 0.2 Pa and 75 kPa

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[135.23; 403.42]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-4.62200e+01
Coefficient B			7.51040e-01
Coefficient C			-3.22000e-04
Coefficient D			2.06000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	135.23	J/mol×K	273.00	Calculated Property
Cp,gas	180.09	J/mol×K	353.78	Calculated Property
Cp,gas	221.03	J/mol×K	434.56	Calculated Property
Cp,gas	258.12	J/mol×K	515.33	Calculated Property
Cp,gas	291.42	J/mol×K	596.11	Calculated Property
Cp,gas	321.01	J/mol×K	676.89	Calculated Property
Cp,gas	346.93	J/mol×K	757.67	Calculated Property
Cp,gas	369.26	J/mol×K	838.44	Calculated Property
Cp,gas	388.07	J/mol×K	919.22	Calculated Property
Cp,gas	403.42	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Piperidine, 2,6-dimethyl-, (2R,6S)-rel-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• The vaporization enthalpy and vapor pressure of S (+)-methamphetamine at T = 298.15 K by correlation gas chromatography
• Experimental Vapor Pressures of 2-Phenylethylamine, Benzylamine, Triethylamine, and cis-2,6-Dimethylpiperidine in the Range between 0.2 Pa and 75 kPa
• Joback Method
• McGowan Method
• NIST Webbook

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