Chemical Properties of Piperidine, 3-methyl- (CAS 626-56-2)

InChI

InChI=1S/C6H13N/c1-6-3-2-4-7-5-6/h6-7H,2-5H2,1H3

InChI Key

JEGMWWXJUXDNJN-UHFFFAOYSA-N

Formula

C6H13N

SMILES

CC1CCCNC1

Molecular Weight¹

99.18

CAS

626-56-2

Other Names

• 3-methylpiperidine
• 3-pipecoline
• «beta»-Methylpiperidine
• «beta»-Pipecoline

• 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).
• 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).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• I : 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	0.3087		Relay (1.0) Calculated Property
ΔfG°	111.80	kJ/mol	Joback Calculated Property
ΔfH°gas	-71.80	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	12.72	kJ/mol	Joback Calculated Property
ΔvapH°	44.40 ± 0.70	kJ/mol	NIST
IE	[7.94; 8.03]	eV
IE	8.03 ± 0.05	eV	NIST
IE	7.94 ± 0.05	eV	NIST
log10WS	0.01		Relay (1.0) Calculated Property
logPoct/wat	1.006		Crippen Calculated Property
McVol	94.520	ml/mol	McGowan Calculated Property
Pc	4088.15	kPa	Joback Calculated Property
Inp	[823.00; 834.00]
Inp	834.00		NIST
Inp	823.00		NIST
Inp	823.00		NIST
I	[1080.00; 1081.00]
I	1080.00		NIST
I	1081.00		NIST
I	1081.00		NIST
I	1080.00		NIST
Tboil	[355.75; 398.65]	K
Tboil	355.75 ± 0.50	K	NIST
Tboil	398.65 ± 1.50	K	NIST
Tc	594.80	K	Relay (1.0) Calculated Property
Tfus	[245.90; 246.00]	K
Tfus	245.95 ± 0.20	K	NIST
Tfus	245.90 ± 0.30	K	NIST
Tfus	246.00 ± 0.40	K	NIST
Vc	0.332	m3/kmol	Relay (1.0) Calculated Property

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[111.76; 345.17]	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			-5.12500e+01
Coefficient B			6.82520e-01
Coefficient C			-3.23000e-04
Coefficient D			3.69000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	111.76	J/mol×K	273.00	Calculated Property
Cp,gas	151.42	J/mol×K	353.78	Calculated Property
Cp,gas	187.38	J/mol×K	434.56	Calculated Property
Cp,gas	219.75	J/mol×K	515.33	Calculated Property
Cp,gas	248.65	J/mol×K	596.11	Calculated Property
Cp,gas	274.19	J/mol×K	676.89	Calculated Property
Cp,gas	296.50	J/mol×K	757.67	Calculated Property
Cp,gas	315.69	J/mol×K	838.44	Calculated Property
Cp,gas	331.87	J/mol×K	919.22	Calculated Property
Cp,gas	345.17	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[290.62; 399.41]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.63446e+01
Coefficient B			-3.83639e+03
Coefficient C			-5.16970e+01
Temperature range, min.			290.62
Temperature range, max.			399.41
Pvap	1.33	kPa	290.62	Calculated Property
Pvap	2.89	kPa	302.71	Calculated Property
Pvap	5.83	kPa	314.80	Calculated Property
Pvap	11.06	kPa	326.88	Calculated Property
Pvap	19.89	kPa	338.97	Calculated Property
Pvap	34.10	kPa	351.06	Calculated Property
Pvap	56.08	kPa	363.15	Calculated Property
Pvap	88.85	kPa	375.23	Calculated Property
Pvap	136.19	kPa	387.32	Calculated Property
Pvap	202.63	kPa	399.41	Calculated Property

Similar Compounds

Find more compounds similar to Piperidine, 3-methyl-.

Mixtures

• Piperidine, 3-methyl- + Water

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Thermodynamic Study of Four {Methylpiperidine + Water} Systems: New Experimental Data and Challenging Modeling for the Simultaneous Representation of Liquid-Liquid Equilibrium and Energetic Properties
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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