Chemical Properties of Octadeca-9,12,15-trienoic acid hexadec-7-enyl ester, Z,Z,Z,Z

InChI

InChI=1S/C34H60O2/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/h5,7,11,13,17-19,21H,3-4,6,8-10,12,14-16,20,22-33H2,1-2H3/b7-5-,13-11-,19-17-,21-18+

InChI Key

ZZMQTBJTUVDBDO-PLNKFGNASA-N

Formula

C34H60O2

SMILES

CCC=CCC=CCC=CCCCCCCCC(=O)OCCCCCCC=CCCCCCCCC

Molecular Weight¹

500.84

• 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	1.1539		Relay (1.0) Calculated Property
ΔfG°	322.36	kJ/mol	Joback Calculated Property
ΔfH°gas	-840.88	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	87.41	kJ/mol	Joback Calculated Property
ΔvapH°	150.75	kJ/mol	Relay (1.0) Calculated Property
IE	8.35	eV	Relay (1.0) Calculated Property
log10WS	-9.52		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	[3504.89; 3504.89]
Inp	3504.89		NIST
Inp	3504.89		NIST
Tboil	694.80	K	Relay (1.0) Calculated Property
Tc	876.62	K	Relay (1.0) Calculated Property
Tfus	285.08	K	Relay (1.0) Calculated Property
Vc	1.716	m3/kmol	Relay (1.0) Calculated Property

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 Octadeca-9,12,15-trienoic acid hexadec-7-enyl ester, Z,Z,Z,Z.

Sources

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

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