Chemical Properties of isopropyl (9Z,12Z,15Z)-9,12,15-octadecatrienoate (CAS 83918-59-6)

InChI

InChI=1S/C21H36O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(22)23-20(2)3/h5-6,8-9,11-12,20H,4,7,10,13-19H2,1-3H3/b6-5-,9-8-,12-11-

InChI Key

SQOVKJOWVZUDDC-AGRJPVHOSA-N

Formula

C21H36O2

SMILES

CCC=CCC=CCC=CCCCCCCCC(=O)OC(C)C

Molecular Weight¹

320.51

CAS

83918-59-6

Other Names

• isopropyllinolenate

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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	-622.80	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	51.60	kJ/mol	Joback Calculated Property
ΔvapH°	101.95	kJ/mol	Relay (1.0) Calculated Property
IE	8.52	eV	Relay (1.0) Calculated Property
logPoct/wat	6.527		Crippen Calculated Property
McVol	301.290	ml/mol	McGowan Calculated Property
Inp	[2200.30; 2200.30]
Inp	2200.30		NIST
Inp	2200.30		NIST
Tboil	579.57	K	Relay (1.0) Calculated Property
Tc	765.68	K	Relay (1.0) Calculated Property
Tfus	266.18	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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	[889.85; 989.49]	J/mol×K	[750.34; 932.26]
Cp,gas	889.85	J/mol×K	750.34	Joback Calculated Property
Cp,gas	908.67	J/mol×K	780.66	Joback Calculated Property
Cp,gas	926.54	J/mol×K	810.98	Joback Calculated Property
Cp,gas	943.50	J/mol×K	841.30	Joback Calculated Property
Cp,gas	959.61	J/mol×K	871.62	Joback Calculated Property
Cp,gas	974.92	J/mol×K	901.94	Joback Calculated Property
Cp,gas	989.49	J/mol×K	932.26	Joback Calculated Property
η	[0.0000341; 0.0024802]	Pa×s	[338.52; 750.34]
η	0.0024802	Pa×s	338.52	Joback Calculated Property
η	0.0006647	Pa×s	407.16	Joback Calculated Property
η	0.0002605	Pa×s	475.79	Joback Calculated Property
η	0.0001293	Pa×s	544.43	Joback Calculated Property
η	0.0000751	Pa×s	613.07	Joback Calculated Property
η	0.0000486	Pa×s	681.70	Joback Calculated Property
η	0.0000341	Pa×s	750.34	Joback Calculated Property

Similar Compounds

Find more compounds similar to isopropyl (9Z,12Z,15Z)-9,12,15-octadecatrienoate.

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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