Chemical Properties of cis-8,11,14-Eicosatrienoic acid, 4,4-dimethyloxazoline (dmox) derivative

InChI

InChI=1S/C24H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-25-24(2,3)22-26-23/h8-9,11-12,14-15H,4-7,10,13,16-22H2,1-3H3/b9-8-,12-11-,15-14-

InChI Key

KWSGHOHBFKRYBP-ORZIMQNZSA-N

Formula

C24H41NO

SMILES

CCCCCC=CCC=CCC=CCCCCCCC1=NC(C)(C)CO1

Molecular Weight¹

359.59

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion 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	0.7435		Relay (1.0) Calculated Property
ΔfG°	473.91	kJ/mol	Joback Calculated Property
ΔfH°gas	-426.91	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	60.11	kJ/mol	Joback Calculated Property
ΔvapH°	110.95	kJ/mol	Relay (1.0) Calculated Property
IE	8.05	eV	Relay (1.0) Calculated Property
log10WS	-6.42		Relay (1.0) Calculated Property
logPoct/wat	7.563		Crippen Calculated Property
McVol	336.810	ml/mol	McGowan Calculated Property
Pc	1022.04	kPa	Joback Calculated Property
Inp	[2487.80; 2487.80]
Inp	2487.80		NIST
Inp	2487.80		NIST
Tboil	628.44	K	Relay (1.0) Calculated Property
Tc	833.69	K	Relay (1.0) Calculated Property
Tfus	284.72	K	Relay (1.0) Calculated Property
Vc	1.201	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1107.13; 1236.79]	J/mol×K	[861.31; 1064.86]
Cp,gas	1107.13	J/mol×K	861.31	Joback Calculated Property
Cp,gas	1129.61	J/mol×K	895.23	Joback Calculated Property
Cp,gas	1151.54	J/mol×K	929.16	Joback Calculated Property
Cp,gas	1173.06	J/mol×K	963.08	Joback Calculated Property
Cp,gas	1194.34	J/mol×K	997.01	Joback Calculated Property
Cp,gas	1215.53	J/mol×K	1030.93	Joback Calculated Property
Cp,gas	1236.79	J/mol×K	1064.86	Joback Calculated Property

Similar Compounds

Find more compounds similar to cis-8,11,14-Eicosatrienoic acid, 4,4-dimethyloxazoline (dmox) derivative.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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