Chemical Properties of Octadeca-9,12,15-trienoic acid octadec-9-enyl ester, Z,Z,Z,Z

InChI

InChI=1S/C36H64O2/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/h6,8,12,14,17-20H,3-5,7,9-11,13,15-16,21-35H2,1-2H3/b8-6-,14-12-,19-17+,20-18-

InChI Key

OIRFIBZVTFIPSF-RCDYTIAJSA-N

Formula

C36H64O2

SMILES

CCC=CCC=CCC=CCCCCCCCC(=O)OCCCCCCCCC=CCCCCCCCC

Molecular Weight¹

528.89

• 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	-884.32	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	94.17	kJ/mol	Joback Calculated Property
ΔvapH°	160.17	kJ/mol	Relay (1.0) Calculated Property
IE	8.43	eV	Relay (1.0) Calculated Property
log10WS	-10.10		Relay (1.0) Calculated Property
logPoct/wat	12.157		Crippen Calculated Property
McVol	508.340	ml/mol	McGowan Calculated Property
Pc	502.50	kPa	Joback Calculated Property
Inp	[3698.65; 3698.65]
Inp	3698.65		NIST
Inp	3698.65		NIST
Tboil	707.78	K	Relay (1.0) Calculated Property
Tc	891.33	K	Relay (1.0) Calculated Property
Tfus	286.00	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	[1831.22; 2008.62]	J/mol×K	[1098.14; 1393.44]
Cp,gas	1831.22	J/mol×K	1098.14	Joback Calculated Property
Cp,gas	1862.91	J/mol×K	1147.36	Joback Calculated Property
Cp,gas	1893.22	J/mol×K	1196.57	Joback Calculated Property
Cp,gas	1922.55	J/mol×K	1245.79	Joback Calculated Property
Cp,gas	1951.30	J/mol×K	1295.01	Joback Calculated Property
Cp,gas	1979.86	J/mol×K	1344.23	Joback Calculated Property
Cp,gas	2008.62	J/mol×K	1393.44	Joback Calculated Property
η	[0.0000033; 0.0001982]	Pa×s	[517.49; 1098.14]
η	0.0001982	Pa×s	517.49	Joback Calculated Property
η	0.0000587	Pa×s	614.26	Joback Calculated Property
η	0.0000242	Pa×s	711.04	Joback Calculated Property
η	0.0000124	Pa×s	807.82	Joback Calculated Property
η	0.0000073	Pa×s	904.59	Joback Calculated Property
η	0.0000048	Pa×s	1001.37	Joback Calculated Property
η	0.0000033	Pa×s	1098.14	Joback Calculated Property

Similar Compounds

Find more compounds similar to Octadeca-9,12,15-trienoic acid octadec-9-enyl ester, Z,Z,Z,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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