Chemical Properties of Propyl 1,2,5,6-tetrahydropyridine-3-carboxylate (CAS 251547-78-1)

InChI

InChI=1S/C9H15NO2/c1-2-6-12-9(11)8-4-3-5-10-7-8/h4,10H,2-3,5-7H2,1H3

InChI Key

JPTZIWWBFZPVFX-UHFFFAOYSA-N

Formula

C9H15NO2

SMILES

CCCOC(=O)C1=CCCNC1

Molecular Weight¹

169.22

CAS

251547-78-1

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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).
• I_np : Non-polar retention indices.
• 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
ΔfH°gas	-332.34	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	24.62	kJ/mol	Joback Calculated Property
ΔvapH°	72.99	kJ/mol	Relay (1.0) Calculated Property
log10WS	-0.80		Relay (1.0) Calculated Property
logPoct/wat	0.859		Crippen Calculated Property
McVol	139.930	ml/mol	McGowan Calculated Property
Pc	3110.57	kPa	Joback Calculated Property
Inp	[1588.60; 1588.60]
Inp	1588.60		NIST
Inp	1588.60		NIST
Tboil	522.09	K	Relay (1.0) Calculated Property
Tfus	274.98	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, 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
Cp,gas	[329.21; 409.97]	J/mol×K	[540.65; 754.76]
Cp,gas	329.21	J/mol×K	540.65	Joback Calculated Property
Cp,gas	344.73	J/mol×K	576.34	Joback Calculated Property
Cp,gas	359.42	J/mol×K	612.02	Joback Calculated Property
Cp,gas	373.28	J/mol×K	647.71	Joback Calculated Property
Cp,gas	386.33	J/mol×K	683.39	Joback Calculated Property
Cp,gas	398.55	J/mol×K	719.08	Joback Calculated Property
Cp,gas	409.97	J/mol×K	754.76	Joback Calculated Property

Similar Compounds

Find more compounds similar to Propyl 1,2,5,6-tetrahydropyridine-3-carboxylate.

Sources

• Cheméo Relay (1.0)
• 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.
These property values are available through the Cheméo API. A free account gives you an access key.