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

InChI

InChI=1S/C36H62O2/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/h6,8,11-14,17-20H,3-5,7,9-10,15-16,21-35H2,1-2H3/b8-6+,13-11+,14-12+,19-17+,20-18+

InChI Key

WBOOWOSHLDPENH-CSKSNVOASA-N

Formula

C36H62O2

SMILES

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

Molecular Weight¹

526.89

• 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	-761.46	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	94.38	kJ/mol	Joback Calculated Property
ΔvapH°	168.73	kJ/mol	Relay (1.0) Calculated Property
IE	8.30	eV	Relay (1.0) Calculated Property
log10WS	-9.76		Relay (1.0) Calculated Property
logPoct/wat	11.933		Crippen Calculated Property
McVol	504.040	ml/mol	McGowan Calculated Property
Pc	514.42	kPa	Joback Calculated Property
Inp	[3693.85; 3693.85]
Inp	3693.85		NIST
Inp	3693.85		NIST
Tboil	695.45	K	Relay (1.0) Calculated Property
Tc	896.37	K	Relay (1.0) Calculated Property
Tfus	251.67	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	[1803.49; 1986.76]	J/mol×K	[1102.30; 1391.79]
Cp,gas	1803.49	J/mol×K	1102.30	Joback Calculated Property
Cp,gas	1835.00	J/mol×K	1150.55	Joback Calculated Property
Cp,gas	1865.59	J/mol×K	1198.80	Joback Calculated Property
Cp,gas	1895.65	J/mol×K	1247.05	Joback Calculated Property
Cp,gas	1925.60	J/mol×K	1295.30	Joback Calculated Property
Cp,gas	1955.84	J/mol×K	1343.54	Joback Calculated Property
Cp,gas	1986.76	J/mol×K	1391.79	Joback Calculated Property
η	[0.0000030; 0.0001867]	Pa×s	[512.41; 1102.30]
η	0.0001867	Pa×s	512.41	Joback Calculated Property
η	0.0000536	Pa×s	610.73	Joback Calculated Property
η	0.0000218	Pa×s	709.04	Joback Calculated Property
η	0.0000110	Pa×s	807.36	Joback Calculated Property
η	0.0000065	Pa×s	905.67	Joback Calculated Property
η	0.0000042	Pa×s	1003.99	Joback Calculated Property
η	0.0000030	Pa×s	1102.30	Joback Calculated Property

Similar Compounds

Find more compounds similar to Octadeca-9,12,15-trienoic acid octadeca-9,12-dienyl 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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