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

InChI

InChI=1S/C36H66O2/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/h12,14,17-20H,3-11,13,15-16,21-35H2,1-2H3/b14-12-,19-17+,20-18-

InChI Key

HCWKYEAMGMQHRV-MBTQIMBLSA-N

Formula

C36H66O2

SMILES

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

Molecular Weight¹

530.91

• 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	1.2992		Relay (1.0) Calculated Property
ΔfG°	258.98	kJ/mol	Joback Calculated Property
ΔfH°gas	-940.47	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	92.39	kJ/mol	Joback Calculated Property
ΔvapH°	158.81	kJ/mol	Relay (1.0) Calculated Property
IE	8.63	eV	Relay (1.0) Calculated Property
log10WS	-10.34		Relay (1.0) Calculated Property
logPoct/wat	12.381		Crippen Calculated Property
McVol	512.640	ml/mol	McGowan Calculated Property
Pc	500.03	kPa	Joback Calculated Property
Inp	[3690.81; 3690.81]
Inp	3690.81		NIST
Inp	3690.81		NIST
Tboil	707.16	K	Relay (1.0) Calculated Property
Tc	886.76	K	Relay (1.0) Calculated Property
Tfus	291.85	K	Relay (1.0) Calculated Property
Vc	1.885	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1871.70; 2052.24]	J/mol×K	[1111.85; 1422.92]
Cp,gas	1871.70	J/mol×K	1111.85	Joback Calculated Property
Cp,gas	1904.80	J/mol×K	1163.69	Joback Calculated Property
Cp,gas	1936.13	J/mol×K	1215.54	Joback Calculated Property
Cp,gas	1966.13	J/mol×K	1267.38	Joback Calculated Property
Cp,gas	1995.21	J/mol×K	1319.23	Joback Calculated Property
Cp,gas	2023.77	J/mol×K	1371.07	Joback Calculated Property
Cp,gas	2052.24	J/mol×K	1422.92	Joback Calculated Property
η	[0.0000044; 0.0001682]	Pa×s	[552.40; 1111.85]
η	0.0001682	Pa×s	552.40	Joback Calculated Property
η	0.0000592	Pa×s	645.64	Joback Calculated Property
η	0.0000271	Pa×s	738.88	Joback Calculated Property
η	0.0000148	Pa×s	832.12	Joback Calculated Property
η	0.0000091	Pa×s	925.37	Joback Calculated Property
η	0.0000061	Pa×s	1018.61	Joback Calculated Property
η	0.0000044	Pa×s	1111.85	Joback Calculated Property

Similar Compounds

Find more compounds similar to Octadeca-9,12-dienoic acid octadec-9-enyl ester, Z,Z,Z.

Sources

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

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