Chemical Properties of cis-13,16-Docasadienoic acid, methyl ester

InChI

InChI=1S/C23H42O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h7-8,10-11H,3-6,9,12-22H2,1-2H3/b8-7-,11-10-

InChI Key

UPIRHFZFPVEDCF-NQLNTKRDSA-N

Formula

C23H42O2

SMILES

CCCCCC=CCC=CCCCCCCCCCCCC(=O)OC

Molecular Weight¹

350.58

Other Names

• (Z,Z)-Methyl docosa-13,16-dienoate
• methyl Z,Z 13,16-docosadienoate

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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	0.9051		Relay (1.0) Calculated Property
ΔfG°	-7.15	kJ/mol	Joback Calculated Property
ΔfH°gas	-700.55	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	60.10	kJ/mol	Joback Calculated Property
ΔvapH°	120.23	kJ/mol	Relay (1.0) Calculated Property
IE	8.79	eV	Relay (1.0) Calculated Property
log10WS	-7.20		Relay (1.0) Calculated Property
logPoct/wat	7.533		Crippen Calculated Property
McVol	333.770	ml/mol	McGowan Calculated Property
Pc	908.89	kPa	Joback Calculated Property
Inp	[2509.90; 2509.90]
Inp	2509.90		NIST
Inp	2509.90		NIST
Tboil	613.63	K	Relay (1.0) Calculated Property
Tc	803.53	K	Relay (1.0) Calculated Property
Tfus	289.61	K	Relay (1.0) Calculated Property
Vc	1.234	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1034.57; 1139.94]	J/mol×K	[792.38; 973.34]
Cp,gas	1034.57	J/mol×K	792.38	Joback Calculated Property
Cp,gas	1054.51	J/mol×K	822.54	Joback Calculated Property
Cp,gas	1073.44	J/mol×K	852.70	Joback Calculated Property
Cp,gas	1091.39	J/mol×K	882.86	Joback Calculated Property
Cp,gas	1108.43	J/mol×K	913.02	Joback Calculated Property
Cp,gas	1124.60	J/mol×K	943.18	Joback Calculated Property
Cp,gas	1139.94	J/mol×K	973.34	Joback Calculated Property
η	[0.0000323; 0.0014975]	Pa×s	[381.14; 792.38]
η	0.0014975	Pa×s	381.14	Joback Calculated Property
η	0.0004852	Pa×s	449.68	Joback Calculated Property
η	0.0002118	Pa×s	518.22	Joback Calculated Property
η	0.0001122	Pa×s	586.76	Joback Calculated Property
η	0.0000679	Pa×s	655.30	Joback Calculated Property
η	0.0000452	Pa×s	723.84	Joback Calculated Property
η	0.0000323	Pa×s	792.38	Joback Calculated Property
ΔvapH	127.90	kJ/mol	298.15	the vaporization enthaplies and vapor pressures of a series of unstaurated fatty acid methyl esters by correlation gas chromatography

Similar Compounds

Find more compounds similar to cis-13,16-Docasadienoic acid, methyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• the vaporization enthaplies and vapor pressures of a series of unstaurated fatty acid methyl esters by correlation gas chromatography
• Joback Method
• McGowan Method
• NIST Webbook

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