Chemical Properties of «gamma»-Linolenic acid, 4,4-dimethyloxazoline (dmox) derivative

InChI

InChI=1S/C22H37NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-23-22(2,3)20-24-21/h8-9,11-12,14-15H,4-7,10,13,16-20H2,1-3H3/b9-8-,12-11-,15-14-

InChI Key

IJXSTTVMOUXCRF-ORZIMQNZSA-N

Formula

C22H37NO

SMILES

CCCCCC=CCC=CCC=CCCCCC1=NC(C)(C)CO1

Molecular Weight¹

331.54

• 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	0.6654		Relay (1.0) Calculated Property
ΔfG°	457.07	kJ/mol	Joback Calculated Property
ΔfH°gas	-382.39	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	54.93	kJ/mol	Joback Calculated Property
ΔvapH°	103.41	kJ/mol	Relay (1.0) Calculated Property
IE	8.04	eV	Relay (1.0) Calculated Property
log10WS	-5.69		Relay (1.0) Calculated Property
logPoct/wat	6.783		Crippen Calculated Property
McVol	308.630	ml/mol	McGowan Calculated Property
Pc	1160.08	kPa	Joback Calculated Property
Inp	[2288.20; 2288.20]
Inp	2288.20		NIST
Inp	2288.20		NIST
Tboil	614.60	K	Relay (1.0) Calculated Property
Tc	815.58	K	Relay (1.0) Calculated Property
Tfus	279.98	K	Relay (1.0) Calculated Property
Vc	1.092	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[981.97; 1103.83]	J/mol×K	[815.55; 1018.58]
Cp,gas	981.97	J/mol×K	815.55	Joback Calculated Property
Cp,gas	1003.41	J/mol×K	849.39	Joback Calculated Property
Cp,gas	1024.21	J/mol×K	883.23	Joback Calculated Property
Cp,gas	1044.50	J/mol×K	917.06	Joback Calculated Property
Cp,gas	1064.43	J/mol×K	950.90	Joback Calculated Property
Cp,gas	1084.16	J/mol×K	984.74	Joback Calculated Property
Cp,gas	1103.83	J/mol×K	1018.58	Joback Calculated Property

Similar Compounds

Find more compounds similar to «gamma»-Linolenic 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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