Chemical Properties of Tripelenamine M (nor), acetylated

InChI

InChI=1S/C17H21N3O/c1-15(21)19(2)12-13-20(17-10-6-7-11-18-17)14-16-8-4-3-5-9-16/h3-11H,12-14H2,1-2H3

InChI Key

FVUSGFONCNEWBN-UHFFFAOYSA-N

Formula

C17H21N3O

SMILES

CC(=O)N(C)CCN(Cc1ccccc1)c1ccccn1

Molecular Weight¹

283.37

• 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).
• 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	0.6828		Relay (1.0) Calculated Property
ΔfG°	380.23	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	40.29	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	109.29	kJ/mol	Relay (1.0) Calculated Property
IE	8.29	eV	Relay (1.0) Calculated Property
log10WS	-2.35		Relay (1.0) Calculated Property
logPoct/wat	2.567		Crippen Calculated Property
McVol	234.380	ml/mol	McGowan Calculated Property
Pc	2268.96	kPa	Relay (1.0-beta) Calculated Property
Inp	[2420.00; 2420.00]
Inp	2420.00		NIST
Inp	2420.00		NIST
Tboil	648.58	K	Relay (1.0) Calculated Property
Tc	916.12	K	Relay (1.0) Calculated Property
Tfus	332.95	K	Relay (1.0) Calculated Property
Vc	0.849	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Tripelenamine M (nor), acetylated.

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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