Chemical Properties of 2-Methylpiperidine (CAS 109-05-7)

InChI

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

InChI Key

NNWUEBIEOFQMSS-UHFFFAOYSA-N

Formula

C6H13N

SMILES

CC1CCCCN1

Molecular Weight¹

99.17

CAS

109-05-7

Other Names

• .alpha.-methylpiperidine
• 2-pipecoline
• ALPHA-METHYLPIPERIDINE
• Pipecoline, «alpha»
• Pipicoline
• piperidine, 2-methyl-
• «alpha»-Methylpiperidine
• «alpha»-Pipecolin
• «alpha»-Pipecoline

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (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).
• 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).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• S°_liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
• 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).
• T_triple : Triple Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.2690		KDB
ΔcH°liquid	-4094.00 ± 1.00	kJ/mol	NIST
ΔfH°gas	-84.50 ± 1.10	kJ/mol	NIST
ΔfH°liquid	-124.90 ± 1.10	kJ/mol	NIST
ΔfusH°	12.72	kJ/mol	Joback Calculated Property
ΔvapH°	[40.40; 40.50]	kJ/mol
ΔvapH°	40.50 ± 0.20	kJ/mol	NIST
ΔvapH°	40.40	kJ/mol	NIST
IE	[7.76; 8.04]	eV
IE	7.90 ± 0.10	eV	NIST
IE	8.04 ± 0.05	eV	NIST
IE	7.76 ± 0.05	eV	NIST
log10WS	0.08		Relay (1.0) Calculated Property
logPoct/wat	1.148		Crippen Calculated Property
McVol	94.520	ml/mol	McGowan Calculated Property
Pc	3800.00	kPa	KDB
Inp	[793.00; 810.00]
Inp	810.00		NIST
Inp	793.00		NIST
Inp	793.00		NIST
Inp	810.00		NIST
I	[1017.00; 1027.00]
I	1027.00		NIST
I	1017.00		NIST
I	1017.00		NIST
S°liquid	[243.75; 243.76]	J/mol×K
S°liquid	243.76	J/mol×K	NIST
S°liquid	243.75	J/mol×K	NIST
S°liquid	243.75	J/mol×K	NIST
Tboil	[391.15; 391.40]	K
Tboil	391.40	K	KDB
Tboil	391.15 ± 1.50	K	NIST
Tc	598.00	K	KDB
Tfus	269.36	K	NIST
Ttriple	[269.31; 269.35]	K
Ttriple	269.31 ± 0.03	K	NIST
Ttriple	269.35 ± 0.00	K	NIST
Ttriple	269.35 ± 0.10	K	NIST
Ttriple	269.31 ± 0.03	K	NIST
Ttriple	269.35 ± 0.00	K	NIST

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[174.55; 256.13]	J/mol×K	[404.78; 618.71]
Cp,gas	174.55	J/mol×K	404.78	Joback Calculated Property
Cp,gas	189.85	J/mol×K	440.43	Joback Calculated Property
Cp,gas	204.46	J/mol×K	476.09	Joback Calculated Property
Cp,gas	218.38	J/mol×K	511.74	Joback Calculated Property
Cp,gas	231.63	J/mol×K	547.40	Joback Calculated Property
Cp,gas	244.20	J/mol×K	583.05	Joback Calculated Property
Cp,gas	256.13	J/mol×K	618.71	Joback Calculated Property
Cp,liquid	[205.00; 222.76]	J/mol×K	[283.15; 333.15]
Cp,liquid	215.38	J/mol×K	283.15	Excess Molar Enthalpies and Heat Capacities of {2-Methylpiperidine Water} and {N-Methylpiperidine Water} Systems of Low to Moderate Amine Compositions
Cp,liquid	216.85	J/mol×K	288.15	Excess Molar Enthalpies and Heat Capacities of {2-Methylpiperidine Water} and {N-Methylpiperidine Water} Systems of Low to Moderate Amine Compositions
Cp,liquid	217.34	J/mol×K	293.15	Excess Molar Enthalpies and Heat Capacities of {2-Methylpiperidine Water} and {N-Methylpiperidine Water} Systems of Low to Moderate Amine Compositions
Cp,liquid	205.00	J/mol×K	298.00	NIST
Cp,liquid	212.97	J/mol×K	298.15	NIST
Cp,liquid	218.00	J/mol×K	298.15	Excess Molar Enthalpies and Heat Capacities of {2-Methylpiperidine Water} and {N-Methylpiperidine Water} Systems of Low to Moderate Amine Compositions
Cp,liquid	212.97	J/mol×K	298.15	NIST
Cp,liquid	212.96	J/mol×K	298.15	NIST
Cp,liquid	218.99	J/mol×K	303.16	Excess Molar Enthalpies and Heat Capacities of {2-Methylpiperidine Water} and {N-Methylpiperidine Water} Systems of Low to Moderate Amine Compositions
Cp,liquid	219.60	J/mol×K	308.15	Excess Molar Enthalpies and Heat Capacities of {2-Methylpiperidine Water} and {N-Methylpiperidine Water} Systems of Low to Moderate Amine Compositions
Cp,liquid	220.18	J/mol×K	313.16	Excess Molar Enthalpies and Heat Capacities of {2-Methylpiperidine Water} and {N-Methylpiperidine Water} Systems of Low to Moderate Amine Compositions
Cp,liquid	221.03	J/mol×K	318.15	Excess Molar Enthalpies and Heat Capacities of {2-Methylpiperidine Water} and {N-Methylpiperidine Water} Systems of Low to Moderate Amine Compositions
Cp,liquid	221.40	J/mol×K	323.15	Excess Molar Enthalpies and Heat Capacities of {2-Methylpiperidine Water} and {N-Methylpiperidine Water} Systems of Low to Moderate Amine Compositions
Cp,liquid	222.07	J/mol×K	328.15	Excess Molar Enthalpies and Heat Capacities of {2-Methylpiperidine Water} and {N-Methylpiperidine Water} Systems of Low to Moderate Amine Compositions
Cp,liquid	222.76	J/mol×K	333.15	Excess Molar Enthalpies and Heat Capacities of {2-Methylpiperidine Water} and {N-Methylpiperidine Water} Systems of Low to Moderate Amine Compositions
ΔfusH	[18.58; 18.58]	kJ/mol	[269.36; 269.40]
ΔfusH	18.58	kJ/mol	269.36	NIST
ΔfusH	18.58	kJ/mol	269.36	NIST
ΔfusH	18.58	kJ/mol	269.36	NIST
ΔfusH	18.58	kJ/mol	269.40	NIST
ΔfusH	18.58	kJ/mol	269.40	NIST
ΔvapH	38.20	kJ/mol	377.00	NIST
ρl	[801.96; 846.70]	kg/m3	[288.15; 338.15]
ρl	846.70	kg/m3	288.15	Temperatures of liquid-liquid separation and excess molar volumes of {N-methylpiperidine-water} and {2-methylpiperidine-water} systems
ρl	835.79	kg/m3	298.15	Temperatures of liquid-liquid separation and excess molar volumes of {N-methylpiperidine-water} and {2-methylpiperidine-water} systems
ρl	826.08	kg/m3	308.15	Temperatures of liquid-liquid separation and excess molar volumes of {N-methylpiperidine-water} and {2-methylpiperidine-water} systems
ρl	817.35	kg/m3	318.15	Temperatures of liquid-liquid separation and excess molar volumes of {N-methylpiperidine-water} and {2-methylpiperidine-water} systems
ρl	809.08	kg/m3	328.15	Temperatures of liquid-liquid separation and excess molar volumes of {N-methylpiperidine-water} and {2-methylpiperidine-water} systems
ρl	801.96	kg/m3	338.15	Temperatures of liquid-liquid separation and excess molar volumes of {N-methylpiperidine-water} and {2-methylpiperidine-water} systems

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.46; 202.63]	kPa	[269.45; 418.61]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.42689e+01
Coefficient B			-3.30031e+03
Coefficient C			-5.01680e+01
Temperature range, min.			269.45
Temperature range, max.			418.61
Pvap	0.46	kPa	269.45	Calculated Property
Pvap	1.32	kPa	286.02	Calculated Property
Pvap	3.30	kPa	302.60	Calculated Property
Pvap	7.39	kPa	319.17	Calculated Property
Pvap	15.06	kPa	335.74	Calculated Property
Pvap	28.39	kPa	352.32	Calculated Property
Pvap	50.10	kPa	368.89	Calculated Property
Pvap	83.59	kPa	385.46	Calculated Property
Pvap	132.88	kPa	402.04	Calculated Property
Pvap	202.63	kPa	418.61	Calculated Property
Pvap	[2680.05; 9269.55]	kPa	[571.15; 703.15]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			3.37431e+01
Coefficient B			-5.16582e+03
Coefficient C			-2.67791e+00
Coefficient D			5.93169e-07
Temperature range, min.			571.15
Temperature range, max.			703.15
Pvap	2680.05	kPa	571.15	Calculated Property
Pvap	3172.26	kPa	585.82	Calculated Property
Pvap	3720.76	kPa	600.48	Calculated Property
Pvap	4327.51	kPa	615.15	Calculated Property
Pvap	4994.23	kPa	629.82	Calculated Property
Pvap	5722.35	kPa	644.48	Calculated Property
Pvap	6513.09	kPa	659.15	Calculated Property
Pvap	7367.39	kPa	673.82	Calculated Property
Pvap	8286.03	kPa	688.48	Calculated Property
Pvap	9269.55	kPa	703.15	Calculated Property

Similar Compounds

Find more compounds similar to 2-Methylpiperidine.

Mixtures

• 2-Methylpiperidine + Carbon dioxide + Water
• 2-Methylpiperidine + Water

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Temperatures of liquid-liquid separation and excess molar volumes of {N-methylpiperidine-water} and {2-methylpiperidine-water} systems
• Liquid-liquid phase separation of {amine e H2O e CO2} systems: New methods for key data
• Excess Molar Enthalpies and Heat Capacities of {2-Methylpiperidine Water} and {N-Methylpiperidine Water} Systems of Low to Moderate Amine Compositions
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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