Chemical Properties of Methyl 7,10,13,16,19-docosapentaenoate

InChI

InChI=1S/C23H36O2/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/h4-5,7-8,10-11,13-14,16-17H,3,6,9,12,15,18-22H2,1-2H3/b5-4-,8-7-,11-10-,14-13-,17-16-

InChI Key

PTFHIRHGARALFY-JEBPEJKESA-N

Formula

C23H36O2

SMILES

CCC=CCC=CCC=CCC=CCC=CCCCCCC(=O)OC

Molecular Weight¹

344.53

Other Names

• 7,10,13,16,19-docosapentaenoic acid, methyl ester

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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	0.6422		Relay (1.0) Calculated Property
ΔfH°gas	-527.11	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	60.70	kJ/mol	Joback Calculated Property
ΔvapH°	122.06	kJ/mol	Relay (1.0) Calculated Property
IE	8.22	eV	Relay (1.0) Calculated Property
log10WS	-6.17		Relay (1.0) Calculated Property
logPoct/wat	6.861		Crippen Calculated Property
McVol	320.870	ml/mol	McGowan Calculated Property
Pc	1000.81	kPa	Joback Calculated Property
Inp	[2426.00; 2426.00]
Inp	2426.00		NIST
Inp	2426.00		NIST
Inp	2426.00		NIST
Tboil	612.45	K	Relay (1.0) Calculated Property
Tc	795.87	K	Relay (1.0) Calculated Property
Tfus	287.54	K	Relay (1.0) Calculated Property
Vc	1.066	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[959.98; 1058.76]	J/mol×K	[804.86; 994.85]
Cp,gas	959.98	J/mol×K	804.86	Joback Calculated Property
Cp,gas	978.37	J/mol×K	836.52	Joback Calculated Property
Cp,gas	995.88	J/mol×K	868.19	Joback Calculated Property
Cp,gas	1012.59	J/mol×K	899.85	Joback Calculated Property
Cp,gas	1028.59	J/mol×K	931.52	Joback Calculated Property
Cp,gas	1043.95	J/mol×K	963.18	Joback Calculated Property
Cp,gas	1058.76	J/mol×K	994.85	Joback Calculated Property
η	[0.0000212; 0.0012733]	Pa×s	[365.90; 804.86]
η	0.0012733	Pa×s	365.90	Joback Calculated Property
η	0.0003644	Pa×s	439.06	Joback Calculated Property
η	0.0001491	Pa×s	512.22	Joback Calculated Property
η	0.0000763	Pa×s	585.38	Joback Calculated Property
η	0.0000453	Pa×s	658.54	Joback Calculated Property
η	0.0000298	Pa×s	731.70	Joback Calculated Property
η	0.0000212	Pa×s	804.86	Joback Calculated Property

Similar Compounds

Find more compounds similar to Methyl 7,10,13,16,19-docosapentaenoate.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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