Chemical Properties of Dodecanoic acid octadeca-9,12,15-trienyl ester, Z,Z,Z

InChI

InChI=1S/C30H54O2/c1-3-5-7-9-11-13-14-15-16-17-18-19-21-23-25-27-29-32-30(31)28-26-24-22-20-12-10-8-6-4-2/h5,7,11,13,15-16H,3-4,6,8-10,12,14,17-29H2,1-2H3/b7-5-,13-11+,16-15+

InChI Key

BGGKKRZHEDCMBO-QXYPMXJESA-N

Formula

C30H54O2

SMILES

CC/C=C/C/C=C/C/C=C/CCCCCCCCOC(=O)CCCCCCCCCCC

Molecular Weight¹

446.76

• 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.
• 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, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[616.22; 1483.42]	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			-4.15190e+01
Coefficient B			2.85904e+00
Coefficient C			-1.76500e-03
Coefficient D			4.30900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	616.22	J/mol×K	273.00	Calculated Property
Cp,gas	768.12	J/mol×K	353.78	Calculated Property
Cp,gas	902.95	J/mol×K	434.56	Calculated Property
Cp,gas	1022.08	J/mol×K	515.33	Calculated Property
Cp,gas	1126.87	J/mol×K	596.11	Calculated Property
Cp,gas	1218.69	J/mol×K	676.89	Calculated Property
Cp,gas	1298.88	J/mol×K	757.67	Calculated Property
Cp,gas	1368.83	J/mol×K	838.44	Calculated Property
Cp,gas	1429.89	J/mol×K	919.22	Calculated Property
Cp,gas	1483.42	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005295; 0.0000176]	Pa×s	[454.95; 824.57]	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			-1.51350e+01
Coefficient B			3.45368e+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.			454.95
Temperature range, max.			824.57
η	0.0005295	Pa×s	454.95	Calculated Property
η	0.0002824	Pa×s	496.02	Calculated Property
η	0.0001658	Pa×s	537.09	Calculated Property
η	0.0001050	Pa×s	578.16	Calculated Property
η	0.0000707	Pa×s	619.23	Calculated Property
η	0.0000500	Pa×s	660.29	Calculated Property
η	0.0000368	Pa×s	701.36	Calculated Property
η	0.0000280	Pa×s	742.43	Calculated Property
η	0.0000219	Pa×s	783.50	Calculated Property
η	0.0000176	Pa×s	824.57	Calculated Property

Similar Compounds

Find more compounds similar to Dodecanoic acid octadeca-9,12,15-trienyl ester, Z,Z,Z.

Sources

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

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