Chemical Properties of (Z)-3-(E)-13-Octadecadien-1-ol acetate

InChI

InChI=1S/C20H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20(2)21/h6-7,16-17H,3-5,8-15,18-19H2,1-2H3/b7-6+,17-16-

InChI Key

VVJPJXKHBZNADP-NGLZPYLXSA-N

Formula

C20H36O2

SMILES

CCCCC=CCCCCCCCCC=CCCOC(C)=O

Molecular Weight¹

308.50

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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.
• I : 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

Cheméo can also estimate Standard Gibbs free energy of formation 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	[418.09; 998.09]	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			-1.82470e+01
Coefficient B			1.88904e+00
Coefficient C			-1.13720e-03
Coefficient D			2.64500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	418.09	J/mol×K	273.00	Calculated Property
Cp,gas	519.43	J/mol×K	353.78	Calculated Property
Cp,gas	609.60	J/mol×K	434.56	Calculated Property
Cp,gas	689.43	J/mol×K	515.33	Calculated Property
Cp,gas	759.76	J/mol×K	596.11	Calculated Property
Cp,gas	821.41	J/mol×K	676.89	Calculated Property
Cp,gas	875.24	J/mol×K	757.67	Calculated Property
Cp,gas	922.07	J/mol×K	838.44	Calculated Property
Cp,gas	962.74	J/mol×K	919.22	Calculated Property
Cp,gas	998.09	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0021803; 0.0000827]	Pa×s	[347.33; 629.38]	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			-1.34293e+01
Coefficient B			2.53584e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			347.33
Temperature range, max.			629.38
η	0.0021803	Pa×s	347.33	Calculated Property
η	0.0011915	Pa×s	378.67	Calculated Property
η	0.0007142	Pa×s	410.01	Calculated Property
η	0.0004603	Pa×s	441.35	Calculated Property
η	0.0003145	Pa×s	472.69	Calculated Property
η	0.0002253	Pa×s	504.02	Calculated Property
η	0.0001678	Pa×s	535.36	Calculated Property
η	0.0001292	Pa×s	566.70	Calculated Property
η	0.0001022	Pa×s	598.04	Calculated Property
η	0.0000827	Pa×s	629.38	Calculated Property

Similar Compounds

Find more compounds similar to (Z)-3-(E)-13-Octadecadien-1-ol acetate.

Sources

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

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