Chemical Properties of cis-9, cis-12-Octadecadienoic acid, 4,4-dimethyloxazoline (dmox) derivative

InChI

InChI=1S/C22H39NO/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/h8-9,11-12H,4-7,10,13-20H2,1-3H3/b9-8-,12-11-

InChI Key

GBLPZQMYSCGEAK-MURFETPASA-N

Formula

C22H39NO

SMILES

CCCCCC=CCC=CCCCCCCCC1=NC(C)(C)CO1

Molecular Weight¹

333.55

• 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).
• 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
ΔfG°	376.85	kJ/mol	Joback Calculated Property
ΔfH°gas	-201.97	kJ/mol	Joback Calculated Property
ΔfusH°	54.73	kJ/mol	Joback Calculated Property
ΔvapH°	75.26	kJ/mol	Joback Calculated Property
log10WS	-7.49		Crippen Calculated Property
logPoct/wat	7.007		Crippen Calculated Property
McVol	312.930	ml/mol	McGowan Calculated Property
Pc	1120.05	kPa	Joback Calculated Property
Inp	[2295.20; 2295.20]
Inp	2295.20		NIST
Inp	2295.20		NIST
Tboil	811.39	K	Joback Calculated Property
Tc	1009.72	K	Joback Calculated Property
Tfus	473.73	K	Joback Calculated Property
Vc	1.222	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1007.08; 1129.31]	J/mol×K	[811.39; 1009.72]
Cp,gas	1007.08	J/mol×K	811.39	Joback Calculated Property
Cp,gas	1028.83	J/mol×K	844.44	Joback Calculated Property
Cp,gas	1049.86	J/mol×K	877.50	Joback Calculated Property
Cp,gas	1070.29	J/mol×K	910.55	Joback Calculated Property
Cp,gas	1090.26	J/mol×K	943.61	Joback Calculated Property
Cp,gas	1109.89	J/mol×K	976.66	Joback Calculated Property
Cp,gas	1129.31	J/mol×K	1009.72	Joback Calculated Property

Similar Compounds

Find more compounds similar to cis-9, cis-12-Octadecadienoic acid, 4,4-dimethyloxazoline (dmox) derivative.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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