Chemical Properties of (2E,4E,12E)-N-Isobutyloctadeca-2,4,12-trienamide (CAS 943546-17-6)

InChI

InChI=1S/C22H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h8-9,16-19,21H,4-7,10-15,20H2,1-3H3,(H,23,24)/b9-8+,17-16+,19-18+

InChI Key

PCWWIOUZYOPZHT-WMVGRUGPSA-N

Formula

C22H39NO

SMILES

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

Molecular Weight¹

333.55

CAS

943546-17-6

• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-230.83	kJ/mol	Joback Calculated Property
ΔvapH°	84.12	kJ/mol	Joback Calculated Property
log10WS	-7.33		Crippen Calculated Property
logPoct/wat	7.188		Crippen Calculated Property
McVol	319.490	ml/mol	McGowan Calculated Property
Pc	992.63	kPa	Joback Calculated Property
Inp	[2776.30; 2776.30]
Inp	2776.30		NIST
Inp	2776.30		NIST
Tboil	883.54	K	Joback Calculated Property
Tc	1082.68	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to (2E,4E,12E)-N-Isobutyloctadeca-2,4,12-trienamide.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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