Chemical Properties of 8,11,14-Eicosatrienoic acid, methyl ester

InChI

InChI=1S/C21H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h7-8,10-11,13-14H,3-6,9,12,15-20H2,1-2H3/b8-7+,11-10+,14-13+

InChI Key

QHATYOWJCAQINT-SPOHZTNBSA-N

Formula

C21H36O2

SMILES

CCCCC/C=C/C/C=C/C/C=C/CCCCCCC(=O)OC

Molecular Weight¹

320.52

• 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	0.7377		Relay (1.0) Calculated Property
ΔfG°	56.23	kJ/mol	Joback Calculated Property
ΔfH°gas	-540.47	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	55.12	kJ/mol	Joback Calculated Property
ΔvapH°	116.96	kJ/mol	Relay (1.0) Calculated Property
IE	8.56	eV	Relay (1.0) Calculated Property
log10WS	-6.49		Relay (1.0) Calculated Property
logPoct/wat	6.529		Crippen Calculated Property
McVol	301.290	ml/mol	McGowan Calculated Property
Pc	1058.95	kPa	Joback Calculated Property
Inp	[2249.00; 2249.00]
Inp	2249.00		NIST
Inp	2249.00		NIST
Inp	2249.00		NIST
Tboil	594.24	K	Relay (1.0) Calculated Property
Tc	782.95	K	Relay (1.0) Calculated Property
Tfus	272.98	K	Relay (1.0) Calculated Property
Vc	1.056	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[889.38; 988.26]	J/mol×K	[750.78; 931.02]
Cp,gas	889.38	J/mol×K	750.78	Joback Calculated Property
Cp,gas	908.02	J/mol×K	780.82	Joback Calculated Property
Cp,gas	925.72	J/mol×K	810.86	Joback Calculated Property
Cp,gas	942.54	J/mol×K	840.90	Joback Calculated Property
Cp,gas	958.54	J/mol×K	870.94	Joback Calculated Property
Cp,gas	973.76	J/mol×K	900.98	Joback Calculated Property
Cp,gas	988.26	J/mol×K	931.02	Joback Calculated Property
η	[0.0000370; 0.0018293]	Pa×s	[353.52; 750.78]
η	0.0018293	Pa×s	353.52	Joback Calculated Property
η	0.0005718	Pa×s	419.73	Joback Calculated Property
η	0.0002454	Pa×s	485.94	Joback Calculated Property
η	0.0001290	Pa×s	552.15	Joback Calculated Property
η	0.0000778	Pa×s	618.36	Joback Calculated Property
η	0.0000518	Pa×s	684.57	Joback Calculated Property
η	0.0000370	Pa×s	750.78	Joback Calculated Property

Similar Compounds

Find more compounds similar to 8,11,14-Eicosatrienoic acid, methyl ester.

Sources

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

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