Chemical Properties of 3-(2-(N-methylpyrrolidinyl))pyridine (CAS 54-11-5)

InChI

InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1

InChI Key

SNICXCGAKADSCV-SNVBAGLBSA-N

Formula

C10H14N2

SMILES

CN1CCC[C@H]1c1cccnc1

Molecular Weight¹

162.24

CAS

54-11-5

Other Names

• (-)-3-(1-Methyl-2-pyrrolidyl)pyridine
• (-)-3-(N-methylpyrrolidino)pyridine
• (-)-nicotine
• (-)-«beta»-Pyridyl-«alpha»-N-methylpyrrolidine
• (S)-(-)-Nicotine
• (S)-3-(1-methyl-2-pyrrolidinyl)pyridine
• (S)-nicotine
• 1-Methyl-2-(3-pyridiyl)pyrrolidine
• 1-Methyl-2-(3-pyridyl)pyrrolidine
• 3-(1-Methyl-2-pyrollidinyl)pyridine
• 3-(1-methyl-2-pyrrolidinyl)pyridine
• 3-(N-methylpyrollidino)pyridine
• Black Leaf
• Black Leaf 40
• Campbell's nico-soap
• Destruxol orchid spray
• Emo-Nik
• Flux MAAG
• Fumetobac
• Habitrol
• L-3-(1-Methyl-2-pyrrolidyl)pyridine
• L-nicotine
• Mach-Nic
• NSC 5065
• Niagara P.A. dust
• Nic-Sal
• Nico-Dust
• Nico-Fume
• Nicocide
• Nicotin
• Nicotina
• Nicotine alkaloid
• Nicotrol
• Nikotin
• Nikotyna
• Ortho N-4 and N-5 dusts
• Ortho N-4 dust
• Ortho N-5 dust
• Pyridine, 3-(tetrahydro-1-methylpyrrol-2-yl), (S)-
• Pyrrolidine, 1-methyl-2-(3-pyridyl)-
• S-(-)-nicotine
• Tendust
• XL All Insecticide
• nicoderm
• niconil
• nicotine
• pyridine, 3-(1-methyl-2-pyrrolidinyl)-, (S)-

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_vap : Vapor pressure (kPa).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
PAff	963.40	kJ/mol	NIST
BasG	932.60	kJ/mol	NIST
ΔvapH°	63.90 ± 2.10	kJ/mol	NIST
log10WS	0.79		Aq. Solubility Prediction
logPoct/wat	1.848		Crippen Calculated Property
McVol	137.100	ml/mol	McGowan Calculated Property
Inp	[1360.50; 1360.50]
Inp	1360.50		NIST
Inp	1360.50		NIST
I	1863.00		NIST
Tboil	536.37	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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
ΔvapH	[46.10; 63.90]	kJ/mol	[298.00; 448.00]
ΔvapH	63.90	kJ/mol	298.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Heterocycles and Related Compounds
ΔvapH	46.10	kJ/mol	448.00	NIST
Pvap	[2.40e-03; 568.97]	kPa	[288.70; 617.80]
Pvap	2.40e-03	kPa	288.70	Thermodynamic properties of S-(-)-nicotine
Pvap	3.51e-03	kPa	293.80	Thermodynamic properties of S-(-)-nicotine
Pvap	5.52e-03	kPa	298.50	Thermodynamic properties of S-(-)-nicotine
Pvap	8.21e-03	kPa	303.30	Thermodynamic properties of S-(-)-nicotine
Pvap	0.01	kPa	308.20	Thermodynamic properties of S-(-)-nicotine
Pvap	0.01	kPa	308.20	Thermodynamic properties of S-(-)-nicotine
Pvap	0.02	kPa	313.10	Thermodynamic properties of S-(-)-nicotine
Pvap	0.03	kPa	318.10	Thermodynamic properties of S-(-)-nicotine
Pvap	0.04	kPa	323.00	Thermodynamic properties of S-(-)-nicotine
Pvap	0.05	kPa	327.90	Thermodynamic properties of S-(-)-nicotine
Pvap	0.07	kPa	333.20	Thermodynamic properties of S-(-)-nicotine
Pvap	0.08	kPa	335.70	Thermodynamic properties of S-(-)-nicotine
Pvap	0.10	kPa	338.20	Thermodynamic properties of S-(-)-nicotine
Pvap	0.11	kPa	340.70	Thermodynamic properties of S-(-)-nicotine
Pvap	0.14	kPa	343.10	Thermodynamic properties of S-(-)-nicotine
Pvap	0.16	kPa	345.60	Thermodynamic properties of S-(-)-nicotine
Pvap	0.21	kPa	348.20	Thermodynamic properties of S-(-)-nicotine
Pvap	0.22	kPa	350.60	Thermodynamic properties of S-(-)-nicotine
Pvap	0.27	kPa	353.20	Thermodynamic properties of S-(-)-nicotine
Pvap	0.37	kPa	358.10	Thermodynamic properties of S-(-)-nicotine
Pvap	0.51	kPa	363.20	Thermodynamic properties of S-(-)-nicotine
Pvap	0.67	kPa	368.10	Thermodynamic properties of S-(-)-nicotine
Pvap	0.86	kPa	373.10	Thermodynamic properties of S-(-)-nicotine
Pvap	14.96	kPa	447.70	Vapor pressure data of nicotine, anabasine and cotinine using differential scanning calorimetry
Pvap	19.93	kPa	457.20	Vapor pressure data of nicotine, anabasine and cotinine using differential scanning calorimetry
Pvap	29.87	kPa	471.10	Vapor pressure data of nicotine, anabasine and cotinine using differential scanning calorimetry
Pvap	49.83	kPa	490.60	Vapor pressure data of nicotine, anabasine and cotinine using differential scanning calorimetry
Pvap	79.61	kPa	510.10	Vapor pressure data of nicotine, anabasine and cotinine using differential scanning calorimetry
Pvap	99.84	kPa	520.40	Vapor pressure data of nicotine, anabasine and cotinine using differential scanning calorimetry
Pvap	247.84	kPa	566.40	Vapor pressure data of nicotine, anabasine and cotinine using differential scanning calorimetry
Pvap	397.81	kPa	594.80	Vapor pressure data of nicotine, anabasine and cotinine using differential scanning calorimetry
Pvap	500.02	kPa	609.30	Vapor pressure data of nicotine, anabasine and cotinine using differential scanning calorimetry
Pvap	568.97	kPa	617.80	Vapor pressure data of nicotine, anabasine and cotinine using differential scanning calorimetry
ρl	[985.96; 1010.23]	kg/m3	[293.15; 323.15]
ρl	1010.23	kg/m3	293.15	Thermodynamic and spectroscopic interpretation of molecular interactions of nicotine + alcohol binary mixtures
ρl	1006.16	kg/m3	298.15	Thermodynamic and spectroscopic interpretation of molecular interactions of nicotine + alcohol binary mixtures
ρl	1002.10	kg/m3	303.15	Thermodynamic and spectroscopic interpretation of molecular interactions of nicotine + alcohol binary mixtures
ρl	998.05	kg/m3	308.15	Thermodynamic and spectroscopic interpretation of molecular interactions of nicotine + alcohol binary mixtures
ρl	994.01	kg/m3	313.15	Thermodynamic and spectroscopic interpretation of molecular interactions of nicotine + alcohol binary mixtures
ρl	989.98	kg/m3	318.15	Thermodynamic and spectroscopic interpretation of molecular interactions of nicotine + alcohol binary mixtures
ρl	985.96	kg/m3	323.15	Thermodynamic and spectroscopic interpretation of molecular interactions of nicotine + alcohol binary mixtures

Similar Compounds

Find more compounds similar to 3-(2-(N-methylpyrrolidinyl))pyridine.

Mixtures

• sodium chloride + 3-(2-(N-methylpyrrolidinyl))pyridine + Water
• 3-(2-(N-methylpyrrolidinyl))pyridine + Water + Sodium phosphate, tribasic-
• 3-(2-(N-methylpyrrolidinyl))pyridine + Cyclohexane + Water
• 3-(2-(N-methylpyrrolidinyl))pyridine + 1-Butanol + Water
• 3-(2-(N-methylpyrrolidinyl))pyridine + 1-Butanol
• Propylene Glycol + 3-(2-(N-methylpyrrolidinyl))pyridine
• 1,3-Propanediol + 3-(2-(N-methylpyrrolidinyl))pyridine
• Carbon dioxide + 3-(2-(N-methylpyrrolidinyl))pyridine

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
• Liquid liquid equilibrium of ternary systems containing nicotine
• High-pressure phase behaviour of binary (CO2 + nicotine) and ternary (CO2 + nicotine + solanesol) mixtures
• Liquid-liquid phase equilibria in nicotine (aqueous) solutions
• Liquid-liquid equilibria of imidazolium ionic liquids having bistriflamide or triflate anions with aromatic non-polar and polar compounds
• Thermodynamic and spectroscopic interpretation of molecular interactions of nicotine + alcohol binary mixtures
• Thermodynamic properties of S-(-)-nicotine
• Vapor pressure data of nicotine, anabasine and cotinine using differential scanning calorimetry
• Mixtures of Pyridine and Nicotine with Pyridinium-Based Ionic Liquids
• Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Heterocycles and Related Compounds
• KDB
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.