Chemical Properties of Octadeca-9,12,15-trienoic acid octadeca-9,12,15-trienyl ester

InChI

InChI=1S/C36H60O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-36(37)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20H,3-4,9-10,15-16,21-35H2,1-2H3/b7-5-,8-6+,13-11+,14-12+,19-17+,20-18+

InChI Key

LZUIYJJRANHRNH-XROYEESUSA-N

Formula

C36H60O2

SMILES

CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCCCCCCCC/C=C/C/C=C/C/C=C/CC

Molecular Weight¹

524.87

• 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	-684.62	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	94.58	kJ/mol	Joback Calculated Property
ΔvapH°	171.68	kJ/mol	Relay (1.0) Calculated Property
IE	8.20	eV	Relay (1.0) Calculated Property
log10WS	-9.58		Relay (1.0) Calculated Property
logPoct/wat	11.709		Crippen Calculated Property
McVol	499.740	ml/mol	McGowan Calculated Property
Pc	526.77	kPa	Joback Calculated Property
Inp	[3702.13; 3702.13]
Inp	3702.13		NIST
Inp	3702.13		NIST
Tboil	695.73	K	Relay (1.0) Calculated Property
Tc	899.23	K	Relay (1.0) Calculated Property
Tfus	252.98	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	[1775.81; 1965.07]	J/mol×K	[1106.46; 1390.66]
Cp,gas	1775.81	J/mol×K	1106.46	Joback Calculated Property
Cp,gas	1807.24	J/mol×K	1153.83	Joback Calculated Property
Cp,gas	1838.17	J/mol×K	1201.19	Joback Calculated Property
Cp,gas	1869.01	J/mol×K	1248.56	Joback Calculated Property
Cp,gas	1900.16	J/mol×K	1295.93	Joback Calculated Property
Cp,gas	1932.05	J/mol×K	1343.29	Joback Calculated Property
Cp,gas	1965.07	J/mol×K	1390.66	Joback Calculated Property
η	[0.0000026; 0.0001760]	Pa×s	[507.33; 1106.46]
η	0.0001760	Pa×s	507.33	Joback Calculated Property
η	0.0000489	Pa×s	607.18	Joback Calculated Property
η	0.0000195	Pa×s	707.04	Joback Calculated Property
η	0.0000098	Pa×s	806.89	Joback Calculated Property
η	0.0000057	Pa×s	906.75	Joback Calculated Property
η	0.0000037	Pa×s	1006.61	Joback Calculated Property
η	0.0000026	Pa×s	1106.46	Joback Calculated Property

Similar Compounds

Find more compounds similar to Octadeca-9,12,15-trienoic acid octadeca-9,12,15-trienyl ester.

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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