Chemical Properties of 3-Propyl-piperidine

InChI

InChI=1S/C8H17N/c1-2-4-8-5-3-6-9-7-8/h8-9H,2-7H2,1H3

InChI Key

CRZUKKNUMNKBFJ-UHFFFAOYSA-N

Formula

C8H17N

SMILES

CCCC1CCCNC1

Molecular Weight¹

127.23

• ω : Acentric Factor.
• 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).
• 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).
• 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
ω	0.3696		Relay (1.0) Calculated Property
ΔfG°	128.64	kJ/mol	Joback Calculated Property
ΔfH°gas	-115.73	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.90	kJ/mol	Joback Calculated Property
ΔvapH°	56.59	kJ/mol	Relay (1.0) Calculated Property
IE	8.04	eV	Relay (1.0) Calculated Property
log10WS	-1.11		Relay (1.0) Calculated Property
logPoct/wat	1.786		Crippen Calculated Property
McVol	122.700	ml/mol	McGowan Calculated Property
Pc	3243.03	kPa	Joback Calculated Property
Inp	[1012.00; 1012.00]
Inp	1012.00		NIST
Inp	1012.00		NIST
Tboil	448.08	K	Relay (1.0) Calculated Property
Tc	645.11	K	Relay (1.0) Calculated Property
Tfus	256.80	K	Relay (1.0) Calculated Property
Vc	0.431	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[154.18; 448.35]	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			-5.30680e+01
Coefficient B			8.72520e-01
Coefficient C			-4.31800e-04
Coefficient D			6.07000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	154.18	J/mol×K	273.00	Calculated Property
Cp,gas	204.25	J/mol×K	353.78	Calculated Property
Cp,gas	249.53	J/mol×K	434.56	Calculated Property
Cp,gas	290.21	J/mol×K	515.33	Calculated Property
Cp,gas	326.47	J/mol×K	596.11	Calculated Property
Cp,gas	358.51	J/mol×K	676.89	Calculated Property
Cp,gas	386.53	J/mol×K	757.67	Calculated Property
Cp,gas	410.72	J/mol×K	838.44	Calculated Property
Cp,gas	431.26	J/mol×K	919.22	Calculated Property
Cp,gas	448.35	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 3-Propyl-piperidine.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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