Chemical Properties of (2E,4E)-N-Isobutylocta-2,4-dienamide (CAS 23512-47-2)

InChI

InChI=1S/C12H21NO/c1-4-5-6-7-8-9-12(14)13-10-11(2)3/h6-9,11H,4-5,10H2,1-3H3,(H,13,14)/b7-6+,9-8+

InChI Key

VZASTVPVPUAAJK-BLHCBFLLSA-N

Formula

C12H21NO

SMILES

CCCC=CC=CC(O)=NCC(C)C

Molecular Weight¹

195.30

CAS

23512-47-2

• 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	0.7089		Relay (1.0) Calculated Property
ΔfG°	72.74	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-294.42	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	85.06	kJ/mol	Relay (1.0) Calculated Property
IE	8.48	eV	Relay (1.0) Calculated Property
log10WS	-3.66		Relay (1.0) Calculated Property
logPoct/wat	3.511		Crippen Calculated Property
McVol	182.890	ml/mol	McGowan Calculated Property
Pc	1947.51	kPa	Joback Calculated Property
Inp	[1717.60; 1717.60]
Inp	1717.60		NIST
Inp	1717.60		NIST
Tboil	555.40	K	Relay (1.0) Calculated Property
Tc	713.05	K	Relay (1.0) Calculated Property
Tfus	376.76	K	Relay (1.0) Calculated Property
Vc	0.628	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to (2E,4E)-N-Isobutylocta-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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