Chemical Properties of cis-5,8,11,14-Eicosatetraenoic acid, 4,4-dimethyloxazoline (dmox) derivative

InChI

InChI=1S/C24H39NO/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/h8-9,11-12,14-15,17-18H,4-7,10,13,16,19-22H2,1-3H3/b9-8-,12-11-,15-14-,18-17-

InChI Key

ZPFSFXNCUITIAF-GKFVBPDJSA-N

Formula

C24H39NO

SMILES

CCCCCC=CCC=CCC=CCC=CCCCC1=NC(C)(C)CO1

Molecular Weight¹

357.57

• 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	0.6476		Relay (1.0) Calculated Property
ΔfG°	554.13	kJ/mol	Joback Calculated Property
ΔfH°gas	-374.37	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	60.31	kJ/mol	Joback Calculated Property
ΔvapH°	112.41	kJ/mol	Relay (1.0) Calculated Property
IE	7.97	eV	Relay (1.0) Calculated Property
log10WS	-6.07		Relay (1.0) Calculated Property
logPoct/wat	7.339		Crippen Calculated Property
McVol	332.510	ml/mol	McGowan Calculated Property
Pc	1056.88	kPa	Joback Calculated Property
Inp	[2464.10; 2464.10]
Inp	2464.10		NIST
Inp	2464.10		NIST
Tboil	628.27	K	Relay (1.0) Calculated Property
Tc	831.63	K	Relay (1.0) Calculated Property
Tfus	290.88	K	Relay (1.0) Calculated Property
Vc	1.147	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1081.01; 1211.29]	J/mol×K	[865.47; 1073.03]
Cp,gas	1081.01	J/mol×K	865.47	Joback Calculated Property
Cp,gas	1103.26	J/mol×K	900.06	Joback Calculated Property
Cp,gas	1125.06	J/mol×K	934.66	Joback Calculated Property
Cp,gas	1146.58	J/mol×K	969.25	Joback Calculated Property
Cp,gas	1168.01	J/mol×K	1003.84	Joback Calculated Property
Cp,gas	1189.52	J/mol×K	1038.44	Joback Calculated Property
Cp,gas	1211.29	J/mol×K	1073.03	Joback Calculated Property

Similar Compounds

Find more compounds similar to cis-5,8,11,14-Eicosatetraenoic 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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