Chemical Properties of (2E,4E,14E)-N-Isobutylicosa-2,4,14-trienamide (CAS 943546-21-2)

InChI

InChI=1S/C24H43NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(26)25-22-23(2)3/h8-9,18-21,23H,4-7,10-17,22H2,1-3H3,(H,25,26)/b9-8+,19-18+,21-20+

InChI Key

GQCWFFNZERNJJC-DIIODVDPSA-N

Formula

C24H43NO

SMILES

CCCCCC=CCCCCCCCCC=CC=CC(O)=NCC(C)C

Molecular Weight¹

361.60

CAS

943546-21-2

• 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	1.0615		Relay (1.0) Calculated Property
ΔfG°	207.39	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-504.68	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	131.78	kJ/mol	Relay (1.0) Calculated Property
IE	8.37	eV	Relay (1.0) Calculated Property
log10WS	-7.36		Relay (1.0) Calculated Property
logPoct/wat	7.969		Crippen Calculated Property
McVol	347.670	ml/mol	McGowan Calculated Property
Pc	882.62	kPa	Joback Calculated Property
Inp	[2985.00; 2985.00]
Inp	2985.00		NIST
Inp	2985.00		NIST
Tboil	651.50	K	Relay (1.0) Calculated Property
Tc	836.10	K	Relay (1.0) Calculated Property
Tfus	377.87	K	Relay (1.0) Calculated Property
Vc	1.227	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to (2E,4E,14E)-N-Isobutylicosa-2,4,14-trienamide.

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

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