Chemical Properties of Tetradec-9-enoic acid octadeca-9,12,15-trienyl ester, Z,Z,Z,Z

InChI

InChI=1S/C32H56O2/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-31-34-32(33)30-28-26-24-22-20-14-12-10-8-6-4-2/h5,7,10-13,16-17H,3-4,6,8-9,14-15,18-31H2,1-2H3/b7-5+,12-10-,13-11+,17-16+

InChI Key

QAEGREPHWCDXPX-ZBSLVJSLSA-N

Formula

C32H56O2

SMILES

CCC=CCC=CCC=CCCCCCCCCOC(=O)CCCCCCCC=CCCCC

Molecular Weight¹

472.79

• 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	-798.16	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	83.81	kJ/mol	Joback Calculated Property
ΔvapH°	144.35	kJ/mol	Relay (1.0) Calculated Property
IE	8.30	eV	Relay (1.0) Calculated Property
log10WS	-8.93		Relay (1.0) Calculated Property
logPoct/wat	10.596		Crippen Calculated Property
McVol	451.980	ml/mol	McGowan Calculated Property
Pc	601.61	kPa	Joback Calculated Property
Inp	[3315.81; 3315.81]
Inp	3315.81		NIST
Inp	3315.81		NIST
Tboil	681.55	K	Relay (1.0) Calculated Property
Tc	865.59	K	Relay (1.0) Calculated Property
Tfus	275.92	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	[1560.37; 1698.49]	J/mol×K	[1006.62; 1245.83]
Cp,gas	1560.37	J/mol×K	1006.62	Joback Calculated Property
Cp,gas	1585.79	J/mol×K	1046.49	Joback Calculated Property
Cp,gas	1609.99	J/mol×K	1086.36	Joback Calculated Property
Cp,gas	1633.17	J/mol×K	1126.23	Joback Calculated Property
Cp,gas	1655.52	J/mol×K	1166.10	Joback Calculated Property
Cp,gas	1677.23	J/mol×K	1205.96	Joback Calculated Property
Cp,gas	1698.49	J/mol×K	1245.83	Joback Calculated Property
η	[0.0000063; 0.0003696]	Pa×s	[472.41; 1006.62]
η	0.0003696	Pa×s	472.41	Joback Calculated Property
η	0.0001097	Pa×s	561.44	Joback Calculated Property
η	0.0000454	Pa×s	650.48	Joback Calculated Property
η	0.0000232	Pa×s	739.52	Joback Calculated Property
η	0.0000137	Pa×s	828.55	Joback Calculated Property
η	0.0000090	Pa×s	917.59	Joback Calculated Property
η	0.0000063	Pa×s	1006.62	Joback Calculated Property

Similar Compounds

Find more compounds similar to Tetradec-9-enoic acid octadeca-9,12,15-trienyl ester, Z,Z,Z,Z.

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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