Chemical Properties of (2E,4E)-N-Isobutyldeca-2,4-dienamide (CAS 18836-52-7)

InChI

InChI=1S/C14H25NO/c1-4-5-6-7-8-9-10-11-14(16)15-12-13(2)3/h8-11,13H,4-7,12H2,1-3H3,(H,15,16)/b9-8+,11-10+

InChI Key

MAGQQZHFHJDIRE-BNFZFUHLSA-N

Formula

C14H25NO

SMILES

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

Molecular Weight¹

223.35

CAS

18836-52-7

• 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	0.7827		Relay (1.0) Calculated Property
ΔfG°	87.75	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-336.12	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	92.22	kJ/mol	Relay (1.0) Calculated Property
IE	8.50	eV	Relay (1.0) Calculated Property
log10WS	-4.50		Relay (1.0) Calculated Property
logPoct/wat	4.292		Crippen Calculated Property
McVol	211.070	ml/mol	McGowan Calculated Property
Pc	1655.15	kPa	Joback Calculated Property
Inp	[1931.00; 1942.70]
Inp	1942.70		NIST
Inp	1931.00		NIST
Inp	1938.00		NIST
Inp	1942.70		NIST
Inp	1938.00		NIST
Inp	1931.00		NIST
Tboil	575.46	K	Relay (1.0) Calculated Property
Tc	739.89	K	Relay (1.0) Calculated Property
Tfus	378.67	K	Relay (1.0) Calculated Property
Vc	0.735	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to (2E,4E)-N-Isobutyldeca-2,4-dienamide.

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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