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_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).
• 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_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
ΔfG°	-68.82	kJ/mol	Joback Calculated Property
ΔfH°gas	-315.11	kJ/mol	Joback Calculated Property
ΔfusH°	23.04	kJ/mol	Joback Calculated Property
ΔvapH°	53.23	kJ/mol	Joback Calculated Property
log10WS	-1.39		Crippen Calculated Property
logPoct/wat	0.859		Crippen Calculated Property
McVol	139.930	ml/mol	McGowan Calculated Property
Pc	3257.86	kPa	Joback Calculated Property
Inp	[1588.60; 1588.60]
Inp	1588.60		NIST
Inp	1588.60		NIST
Tboil	558.52	K	Joback Calculated Property
Tc	775.16	K	Joback Calculated Property
Tfus	393.28	K	Joback Calculated Property
Vc	0.520	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[333.98; 413.32]	J/mol×K	[558.52; 775.16]
Cp,gas	333.98	J/mol×K	558.52	Joback Calculated Property
Cp,gas	349.16	J/mol×K	594.63	Joback Calculated Property
Cp,gas	363.56	J/mol×K	630.73	Joback Calculated Property
Cp,gas	377.17	J/mol×K	666.84	Joback Calculated Property
Cp,gas	389.99	J/mol×K	702.95	Joback Calculated Property
Cp,gas	402.04	J/mol×K	739.06	Joback Calculated Property
Cp,gas	413.32	J/mol×K	775.16	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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