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

InChI

InChI=1S/C38H72O2/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38(39)40-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h12,14,18,20H,3-11,13,15-17,19,21-37H2,1-2H3/b14-12-,20-18+

InChI Key

FPGMSSFTDXXUPZ-PCSMDFMZSA-N

Formula

C38H72O2

SMILES

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

Molecular Weight¹

560.99

• 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	-980.01	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	98.95	kJ/mol	Joback Calculated Property
ΔvapH°	173.51	kJ/mol	Relay (1.0) Calculated Property
IE	9.19	eV	Relay (1.0) Calculated Property
log10WS	-11.44		Relay (1.0) Calculated Property
logPoct/wat	13.385		Crippen Calculated Property
McVol	545.120	ml/mol	McGowan Calculated Property
Pc	441.91	kPa	Joback Calculated Property
Inp	[3919.22; 3919.22]
Inp	3919.22		NIST
Inp	3919.22		NIST
Tboil	711.14	K	Relay (1.0) Calculated Property
Tc	899.04	K	Relay (1.0) Calculated Property
Tfus	301.76	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	[2024.20; 2211.76]	J/mol×K	[1135.58; 1487.71]
Cp,gas	2024.20	J/mol×K	1135.58	Joback Calculated Property
Cp,gas	2060.44	J/mol×K	1194.27	Joback Calculated Property
Cp,gas	2093.91	J/mol×K	1252.96	Joback Calculated Property
Cp,gas	2125.19	J/mol×K	1311.65	Joback Calculated Property
Cp,gas	2154.88	J/mol×K	1370.33	Joback Calculated Property
Cp,gas	2183.54	J/mol×K	1429.02	Joback Calculated Property
Cp,gas	2211.76	J/mol×K	1487.71	Joback Calculated Property
η	[0.0000031; 0.0001627]	Pa×s	[550.19; 1135.58]
η	0.0001627	Pa×s	550.19	Joback Calculated Property
η	0.0000511	Pa×s	647.75	Joback Calculated Property
η	0.0000217	Pa×s	745.32	Joback Calculated Property
η	0.0000113	Pa×s	842.88	Joback Calculated Property
η	0.0000067	Pa×s	940.45	Joback Calculated Property
η	0.0000044	Pa×s	1038.01	Joback Calculated Property
η	0.0000031	Pa×s	1135.58	Joback Calculated Property

Similar Compounds

Find more compounds similar to Icosanoic 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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