Chemical Properties of Octadecanoic acid octadeca-9,12-dienyl ester, Z

InChI

InChI=1S/C36H68O2/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/h11,13,17,19H,3-10,12,14-16,18,20-35H2,1-2H3/b13-11+,19-17+

InChI Key

GYQHSCDMKLFUOQ-GRAPOSQESA-N

Formula

C36H68O2

SMILES

CCCCC/C=C/C/C=C/CCCCCCCCOC(=O)CCCCCCCCCCCCCCCCC

Molecular Weight¹

532.94

• 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	-938.33	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	93.77	kJ/mol	Joback Calculated Property
ΔvapH°	165.02	kJ/mol	Relay (1.0) Calculated Property
IE	9.11	eV	Relay (1.0) Calculated Property
log10WS	-10.89		Relay (1.0) Calculated Property
logPoct/wat	12.605		Crippen Calculated Property
McVol	516.940	ml/mol	McGowan Calculated Property
Pc	479.86	kPa	Joback Calculated Property
Inp	[3717.06; 3717.06]
Inp	3717.06		NIST
Inp	3717.06		NIST
Tboil	698.60	K	Relay (1.0) Calculated Property
Tc	887.84	K	Relay (1.0) Calculated Property
Tfus	297.98	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	[1886.82; 2052.45]	J/mol×K	[1089.82; 1398.35]
Cp,gas	1886.82	J/mol×K	1089.82	Joback Calculated Property
Cp,gas	1919.14	J/mol×K	1141.24	Joback Calculated Property
Cp,gas	1949.08	J/mol×K	1192.66	Joback Calculated Property
Cp,gas	1977.01	J/mol×K	1244.08	Joback Calculated Property
Cp,gas	2003.30	J/mol×K	1295.50	Joback Calculated Property
Cp,gas	2028.32	J/mol×K	1346.92	Joback Calculated Property
Cp,gas	2052.45	J/mol×K	1398.35	Joback Calculated Property
η	[0.0000043; 0.0002236]	Pa×s	[527.65; 1089.82]
η	0.0002236	Pa×s	527.65	Joback Calculated Property
η	0.0000704	Pa×s	621.35	Joback Calculated Property
η	0.0000300	Pa×s	715.04	Joback Calculated Property
η	0.0000156	Pa×s	808.74	Joback Calculated Property
η	0.0000093	Pa×s	902.43	Joback Calculated Property
η	0.0000061	Pa×s	996.12	Joback Calculated Property
η	0.0000043	Pa×s	1089.82	Joback Calculated Property

Similar Compounds

Find more compounds similar to Octadecanoic acid octadeca-9,12-dienyl ester, 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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