Chemical Properties of 1,2,3,6-TETRAHYDROPYRIDINE

InChI

InChI=1S/C5H9N/c1-2-4-6-5-3-1/h1-2,6H,3-5H2

InChI Key

FTAHXMZRJCZXDL-UHFFFAOYSA-N

Formula

C5H9N

SMILES

C1=CCNCC1

Molecular Weight¹

83.13

Other Names

• 1,2,5,6-Tetrahydropyridine
• Pyridine, 1,2,3,6-tetrahydro-
• Pyridine, 1,2,5,6-tetrahydro-
• UN 2410
• «delta»3-Piperidine

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_liquid : Liquid phase 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°liquid	-3287.30 ± 2.30	kJ/mol	NIST
ΔfH°liquid	33.00 ± 2.30	kJ/mol	NIST
ΔfusH°	10.28	kJ/mol	Joback Calculated Property
ΔvapH°	107.70	kJ/mol	NIST
IE	[8.00; 8.64]	eV
IE	8.00	eV	NIST
IE	8.64 ± 0.05	eV	NIST
logPoct/wat	0.536		Crippen Calculated Property
McVol	76.130	ml/mol	McGowan Calculated Property
Tboil	381.20	K	NIST
Tfus	225.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[81.80; 255.62]	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			-4.85000e+01
Coefficient B			5.58000e-01
Coefficient C			-3.11280e-04
Coefficient D			5.74000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	81.80	J/mol×K	273.00	Calculated Property
Cp,gas	112.49	J/mol×K	353.78	Calculated Property
Cp,gas	139.91	J/mol×K	434.56	Calculated Property
Cp,gas	164.25	J/mol×K	515.33	Calculated Property
Cp,gas	185.68	J/mol×K	596.11	Calculated Property
Cp,gas	204.38	J/mol×K	676.89	Calculated Property
Cp,gas	220.55	J/mol×K	757.67	Calculated Property
Cp,gas	234.36	J/mol×K	838.44	Calculated Property
Cp,gas	245.99	J/mol×K	919.22	Calculated Property
Cp,gas	255.62	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 1,2,3,6-TETRAHYDROPYRIDINE.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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
• Joback 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
These property values are available through the Cheméo API. A free account gives you an access key.