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

InChI

InChI=1S/C34H62O2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34(35)36-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19H,3-4,6,8-10,12,14-16,18,20-33H2,1-2H3/b7-5-,13-11-,19-17-

InChI Key

SVUULQMAQXFENX-JTBMWNAQSA-N

Formula

C34H62O2

SMILES

CCC=CCC=CCC=CCCCCCCCC(=O)OCCCCCCCCCCCCCCCC

Molecular Weight¹

502.85

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	1.2263		Relay (1.0) Calculated Property
ΔfG°	242.14	kJ/mol	Joback Calculated Property
ΔfH°gas	-884.06	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	87.21	kJ/mol	Joback Calculated Property
ΔvapH°	151.62	kJ/mol	Relay (1.0) Calculated Property
IE	8.76	eV	Relay (1.0) Calculated Property
log10WS	-9.93		Relay (1.0) Calculated Property
logPoct/wat	11.600		Crippen Calculated Property
McVol	484.460	ml/mol	McGowan Calculated Property
Pc	545.90	kPa	Joback Calculated Property
Inp	[3522.64; 3522.64]
Inp	3522.64		NIST
Inp	3522.64		NIST
Tboil	690.86	K	Relay (1.0) Calculated Property
Tc	874.10	K	Relay (1.0) Calculated Property
Tfus	298.50	K	Relay (1.0) Calculated Property
Vc	1.776	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1734.78; 1893.25]	J/mol×K	[1066.09; 1342.37]
Cp,gas	1734.78	J/mol×K	1066.09	Joback Calculated Property
Cp,gas	1764.23	J/mol×K	1112.14	Joback Calculated Property
Cp,gas	1792.10	J/mol×K	1158.18	Joback Calculated Property
Cp,gas	1818.66	J/mol×K	1204.23	Joback Calculated Property
Cp,gas	1844.18	J/mol×K	1250.28	Joback Calculated Property
Cp,gas	1868.95	J/mol×K	1296.32	Joback Calculated Property
Cp,gas	1893.25	J/mol×K	1342.37	Joback Calculated Property
η	[0.0000061; 0.0002262]	Pa×s	[529.86; 1066.09]
η	0.0002262	Pa×s	529.86	Joback Calculated Property
η	0.0000801	Pa×s	619.23	Joback Calculated Property
η	0.0000369	Pa×s	708.60	Joback Calculated Property
η	0.0000202	Pa×s	797.98	Joback Calculated Property
η	0.0000125	Pa×s	887.35	Joback Calculated Property
η	0.0000084	Pa×s	976.72	Joback Calculated Property
η	0.0000061	Pa×s	1066.09	Joback Calculated Property

Similar Compounds

Find more compounds similar to Octadeca-9,12,15-trienoic acid hexadecyl ester, Z,Z,Z.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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