Chemical Properties of cis-13-Docosenoic acid, 4,4-dimethyloxazoline (dmox) derivative

InChI

InChI=1S/C26H49NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-27-26(2,3)24-28-25/h11-12H,4-10,13-24H2,1-3H3/b12-11-

InChI Key

UWSMPEYMQYZXKM-QXMHVHEDSA-N

Formula

C26H49NO

SMILES

CCCCCCCCC=CCCCCCCCCCCCC1=NC(C)(C)CO1

Molecular Weight¹

391.67

• 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°	330.31	kJ/mol	Joback Calculated Property
ΔfH°gas	-401.75	kJ/mol	Joback Calculated Property
ΔfusH°	64.88	kJ/mol	Joback Calculated Property
ΔvapH°	84.21	kJ/mol	Joback Calculated Property
log10WS	-9.31		Crippen Calculated Property
logPoct/wat	8.792		Crippen Calculated Property
McVol	373.590	ml/mol	McGowan Calculated Property
Pc	852.97	kPa	Joback Calculated Property
Inp	[2705.00; 2705.00]
Inp	2705.00		NIST
Inp	2705.00		NIST
Tboil	898.75	K	Joback Calculated Property
Tc	1101.33	K	Joback Calculated Property
Tfus	523.89	K	Joback Calculated Property
Vc	1.466	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1289.22; 1428.11]	J/mol×K	[898.75; 1101.33]
Cp,gas	1289.22	J/mol×K	898.75	Joback Calculated Property
Cp,gas	1313.66	J/mol×K	932.51	Joback Calculated Property
Cp,gas	1337.41	J/mol×K	966.28	Joback Calculated Property
Cp,gas	1360.59	J/mol×K	1000.04	Joback Calculated Property
Cp,gas	1383.34	J/mol×K	1033.81	Joback Calculated Property
Cp,gas	1405.80	J/mol×K	1067.57	Joback Calculated Property
Cp,gas	1428.11	J/mol×K	1101.33	Joback Calculated Property

Similar Compounds

Find more compounds similar to cis-13-Docosenoic acid, 4,4-dimethyloxazoline (dmox) derivative.

Sources

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

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