Chemical Properties of Dodecahydro-1H,6H,11H-tripyrido[1,2-a:1',2'-c:1",2"-e][1,3,5]triazine (CAS 522-33-8)

InChI

InChI=1S/C15H27N3/c1-4-10-16-13(7-1)17-11-5-2-9-15(17)18-12-6-3-8-14(16)18/h13-15H,1-12H2

InChI Key

DKOLZPGCABHTDG-UHFFFAOYSA-N

Formula

C15H27N3

SMILES

C1CCN2C(C1)N1CCCCC1N1CCCCC21

Molecular Weight¹

249.40

CAS

522-33-8

Other Names

• Tripiperidine[trimer of 2,3,4,5-tetrahydropyridine]

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation 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).
• 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	0.4835		Relay (... Calculated Property
ΔfG°	339.37	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-73.07	kJ/mol	Relay (... Calculated Property
ΔvapH°	86.61	kJ/mol	Relay (... Calculated Property
IE	[7.60; 7.85]	eV
IE	7.60	eV	NIST
IE	7.85	eV	NIST
log10WS	-2.61		Relay (... Calculated Property
logPoct/wat	2.436		Crippen Calculated Property
McVol	208.710	ml/mol	McGowan Calculated Property
Pc	1658.07	kPa	Relay (... Calculated Property ⚠️
Tboil	604.17	K	Relay (... Calculated Property
Tc	877.79	K	Relay (... Calculated Property
Tfus	445.39	K	Relay (... Calculated Property
Vc	0.780	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Dodecahydro-1H,6H,11H-tripyrido[1,2-a:1',2'-c:1",2"-e][1,3,5]triazine.

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
• McGowan Method
• NIST Webbook

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