Chemical Properties of Icosa-5,8,11,14-tetraenoic acid tetradec-9-enyl ester

InChI

InChI=1S/C34H58O2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34(35)36-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h10-13,17-18,20-21,24,26H,3-9,14-16,19,22-23,25,27-33H2,1-2H3/b12-10+,13-11-,18-17-,21-20-,26-24-

InChI Key

WMEYKOAPDBHGDW-NXIMTCEVSA-N

Formula

C34H58O2

SMILES

CCCCC=CCCCCCCCCOC(=O)CCCC=CCC=CCC=CCC=CCCCCC

Molecular Weight¹

498.82

• 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	-794.63	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	89.19	kJ/mol	Joback Calculated Property
ΔvapH°	152.51	kJ/mol	Relay (1.0) Calculated Property
IE	8.10	eV	Relay (1.0) Calculated Property
log10WS	-9.21		Relay (1.0) Calculated Property
logPoct/wat	11.152		Crippen Calculated Property
McVol	475.860	ml/mol	McGowan Calculated Property
Pc	562.33	kPa	Joback Calculated Property
Inp	[3452.29; 3452.29]
Inp	3452.29		NIST
Inp	3452.29		NIST
Tboil	696.41	K	Relay (1.0) Calculated Property
Tc	880.27	K	Relay (1.0) Calculated Property
Tfus	274.52	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	[1666.84; 1824.84]	J/mol×K	[1056.54; 1316.60]
Cp,gas	1666.84	J/mol×K	1056.54	Joback Calculated Property
Cp,gas	1694.67	J/mol×K	1099.88	Joback Calculated Property
Cp,gas	1721.53	J/mol×K	1143.23	Joback Calculated Property
Cp,gas	1747.69	J/mol×K	1186.57	Joback Calculated Property
Cp,gas	1773.45	J/mol×K	1229.91	Joback Calculated Property
Cp,gas	1799.07	J/mol×K	1273.25	Joback Calculated Property
Cp,gas	1824.84	J/mol×K	1316.60	Joback Calculated Property
η	[0.0000041; 0.0002559]	Pa×s	[489.87; 1056.54]
η	0.0002559	Pa×s	489.87	Joback Calculated Property
η	0.0000735	Pa×s	584.32	Joback Calculated Property
η	0.0000298	Pa×s	678.76	Joback Calculated Property
η	0.0000151	Pa×s	773.20	Joback Calculated Property
η	0.0000089	Pa×s	867.65	Joback Calculated Property
η	0.0000058	Pa×s	962.10	Joback Calculated Property
η	0.0000041	Pa×s	1056.54	Joback Calculated Property

Similar Compounds

Find more compounds similar to Icosa-5,8,11,14-tetraenoic acid tetradec-9-enyl ester.

Sources

• Cheméo Relay (1.0)
• 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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