Chemical Properties of 2,4,6-Trimethylpiperidine (CAS 21974-48-1)

InChI

InChI=1S/C8H17N/c1-6-4-7(2)9-8(3)5-6/h6-9H,4-5H2,1-3H3

InChI Key

GELXVDNNZSIRQA-UHFFFAOYSA-N

Formula

C8H17N

SMILES

CC1CC(C)NC(C)C1

Molecular Weight¹

127.23

CAS

21974-48-1

• 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).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_vap : Vapor pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Pressure, Critical Volume, 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	[158.71; 461.67]	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			-4.11900e+01
Coefficient B			8.19560e-01
Coefficient C			-3.21000e-04
Coefficient D			4.30000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	158.71	J/mol×K	273.00	Calculated Property
Cp,gas	208.77	J/mol×K	353.78	Calculated Property
Cp,gas	254.69	J/mol×K	434.56	Calculated Property
Cp,gas	296.50	J/mol×K	515.33	Calculated Property
Cp,gas	334.20	J/mol×K	596.11	Calculated Property
Cp,gas	367.82	J/mol×K	676.89	Calculated Property
Cp,gas	397.36	J/mol×K	757.67	Calculated Property
Cp,gas	422.84	J/mol×K	838.44	Calculated Property
Cp,gas	444.27	J/mol×K	919.22	Calculated Property
Cp,gas	461.67	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.16; 202.65]	kPa	[272.15; 460.81]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.34660e+01
Coefficient B			-3.28964e+03
Coefficient C			-5.73960e+01
Temperature range, min.			272.15
Temperature range, max.			460.81
Pvap	0.16	kPa	272.15	Calculated Property
Pvap	0.61	kPa	293.11	Calculated Property
Pvap	1.92	kPa	314.07	Calculated Property
Pvap	5.04	kPa	335.04	Calculated Property
Pvap	11.58	kPa	356.00	Calculated Property
Pvap	23.85	kPa	376.96	Calculated Property
Pvap	44.95	kPa	397.92	Calculated Property
Pvap	78.71	kPa	418.89	Calculated Property
Pvap	129.61	kPa	439.85	Calculated Property
Pvap	202.65	kPa	460.81	Calculated Property

Similar Compounds

Find more compounds similar to 2,4,6-Trimethylpiperidine.

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
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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