Chemical Properties of Docosanoic acid hexadec-7-enyl ester, Z

InChI

InChI=1S/C38H74O2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38(39)40-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h18,25H,3-17,19-24,26-37H2,1-2H3/b25-18+

InChI Key

WWMRJCLIXZGJRE-XIEYBQDHSA-N

Formula

C38H74O2

SMILES

CCCCCCCCC=CCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCCCC

Molecular Weight¹

562.99

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[813.94; 1957.31]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-2.04270e+01
Coefficient B			3.57904e+00
Coefficient C			-2.03260e-03
Coefficient D			4.31300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	813.94	J/mol×K	273.00	Calculated Property
Cp,gas	1010.46	J/mol×K	353.78	Calculated Property
Cp,gas	1186.42	J/mol×K	434.56	Calculated Property
Cp,gas	1343.20	J/mol×K	515.33	Calculated Property
Cp,gas	1482.16	J/mol×K	596.11	Calculated Property
Cp,gas	1604.65	J/mol×K	676.89	Calculated Property
Cp,gas	1712.05	J/mol×K	757.67	Calculated Property
Cp,gas	1805.72	J/mol×K	838.44	Calculated Property
Cp,gas	1887.02	J/mol×K	919.22	Calculated Property
Cp,gas	1957.31	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001731; 0.0000048]	Pa×s	[555.27; 1045.38]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.63237e+01
Coefficient B			4.25448e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			555.27
Temperature range, max.			1045.38
η	0.0001731	Pa×s	555.27	Calculated Property
η	0.0000873	Pa×s	609.73	Calculated Property
η	0.0000493	Pa×s	664.18	Calculated Property
η	0.0000303	Pa×s	718.64	Calculated Property
η	0.0000200	Pa×s	773.10	Calculated Property
η	0.0000139	Pa×s	827.55	Calculated Property
η	0.0000101	Pa×s	882.01	Calculated Property
η	0.0000077	Pa×s	936.47	Calculated Property
η	0.0000060	Pa×s	990.93	Calculated Property
η	0.0000048	Pa×s	1045.38	Calculated Property

Similar Compounds

Find more compounds similar to Docosanoic acid hexadec-7-enyl ester, Z.

Sources

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

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