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

InChI

InChI=1S/C34H60O2/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33-36-34(35)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-18H,3-4,6,8-10,12,15,19-33H2,1-2H3/b7-5-,13-11+,16-14+,18-17+

InChI Key

GPBWMJXPYJMKCY-KFKHIVRRSA-N

Formula

C34H60O2

SMILES

CC/C=C/C/C=C/C/C=C/CCCCCCCCOC(=O)CCCCCCC/C=C\CCCCCC

Molecular Weight¹

500.85

• 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	-773.14	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	87.41	kJ/mol	Joback Calculated Property
ΔvapH°	158.36	kJ/mol	Relay (1.0) Calculated Property
IE	8.41	eV	Relay (1.0) Calculated Property
log10WS	-9.71		Relay (1.0) Calculated Property
logPoct/wat	11.376		Crippen Calculated Property
McVol	480.160	ml/mol	McGowan Calculated Property
Pc	559.41	kPa	Joback Calculated Property
Inp	[3505.81; 3505.81]
Inp	3505.81		NIST
Inp	3505.81		NIST
Tboil	685.41	K	Relay (1.0) Calculated Property
Tc	879.36	K	Relay (1.0) Calculated Property
Tfus	268.29	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	[1706.86; 1869.21]	J/mol×K	[1070.25; 1341.75]
Cp,gas	1706.86	J/mol×K	1070.25	Joback Calculated Property
Cp,gas	1735.97	J/mol×K	1115.50	Joback Calculated Property
Cp,gas	1763.87	J/mol×K	1160.75	Joback Calculated Property
Cp,gas	1790.85	J/mol×K	1206.00	Joback Calculated Property
Cp,gas	1817.21	J/mol×K	1251.25	Joback Calculated Property
Cp,gas	1843.24	J/mol×K	1296.50	Joback Calculated Property
Cp,gas	1869.21	J/mol×K	1341.75	Joback Calculated Property
η	[0.0000054; 0.0002118]	Pa×s	[524.78; 1070.25]
η	0.0002118	Pa×s	524.78	Joback Calculated Property
η	0.0000730	Pa×s	615.69	Joback Calculated Property
η	0.0000331	Pa×s	706.60	Joback Calculated Property
η	0.0000180	Pa×s	797.51	Joback Calculated Property
η	0.0000111	Pa×s	888.43	Joback Calculated Property
η	0.0000074	Pa×s	979.34	Joback Calculated Property
η	0.0000054	Pa×s	1070.25	Joback Calculated Property

Similar Compounds

Find more compounds similar to Hexadec-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.