Chemical Properties of Octadeca-9,12,15-trienoic acid hexadecyl ester, Z,Z,Z

InChI

InChI=1S/C34H62O2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34(35)36-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19H,3-4,6,8-10,12,14-16,18,20-33H2,1-2H3/b7-5-,13-11-,19-17-

InChI Key

SVUULQMAQXFENX-JTBMWNAQSA-N

Formula

C34H62O2

SMILES

CCC=CCC=CCC=CCCCCCCCC(=O)OCCCCCCCCCCCCCCCC

Molecular Weight¹

502.85

• 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

Property	Value	Unit	Source
ΔfH°gas	-884.06	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	88.79	kJ/mol	Joback Calculated Property
ΔvapH°	153.13	kJ/mol	Relay (1.0) Calculated Property
IE	8.76	eV	Relay (1.0) Calculated Property
log10WS	-9.93		Relay (1.0) Calculated Property
logPoct/wat	11.600		Crippen Calculated Property
McVol	484.460	ml/mol	McGowan Calculated Property
Pc	535.59	kPa	Joback Calculated Property
Inp	[3522.64; 3522.64]
Inp	3522.64		NIST
Inp	3522.64		NIST
Tboil	690.86	K	Relay (1.0) Calculated Property
Tc	876.95	K	Relay (1.0) Calculated Property
Tfus	294.63	K	Relay (1.0) Calculated Property

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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1722.77; 1874.71]	J/mol×K	[1048.22; 1316.60]
Cp,gas	1722.77	J/mol×K	1048.22	Joback Calculated Property
Cp,gas	1751.38	J/mol×K	1092.95	Joback Calculated Property
Cp,gas	1778.33	J/mol×K	1137.68	Joback Calculated Property
Cp,gas	1803.88	J/mol×K	1182.41	Joback Calculated Property
Cp,gas	1828.29	J/mol×K	1227.14	Joback Calculated Property
Cp,gas	1851.81	J/mol×K	1271.87	Joback Calculated Property
Cp,gas	1874.71	J/mol×K	1316.60	Joback Calculated Property
η	[0.0000052; 0.0002880]	Pa×s	[500.03; 1048.22]
η	0.0002880	Pa×s	500.03	Joback Calculated Property
η	0.0000882	Pa×s	591.39	Joback Calculated Property
η	0.0000371	Pa×s	682.76	Joback Calculated Property
η	0.0000191	Pa×s	774.12	Joback Calculated Property
η	0.0000113	Pa×s	865.49	Joback Calculated Property
η	0.0000074	Pa×s	956.86	Joback Calculated Property
η	0.0000052	Pa×s	1048.22	Joback Calculated Property

Similar Compounds

Find more compounds similar to Octadeca-9,12,15-trienoic acid hexadecyl ester, Z,Z,Z.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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