Chemical Properties of Eicosanoic acid, hexadecyl ester

InChI

InChI=1S/C36H72O2/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36(37)38-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h3-35H2,1-2H3

InChI Key

HLMWYHUZJJGPTR-UHFFFAOYSA-N

Formula

C36H72O2

SMILES

CCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCC

Molecular Weight¹

536.97

Other Names

• Arachidic acid palmityl ester
• Cetyl arachidate
• Hexadecyl eicosanoate

• 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	1.5364		Relay (1.0) Calculated Property
ΔfH°gas	-1101.90	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	91.78	kJ/mol	Joback Calculated Property
ΔvapH°	167.13	kJ/mol	Relay (1.0) Calculated Property
IE	10.19	eV	Relay (1.0) Calculated Property
log10WS	-11.37		Relay (1.0) Calculated Property
logPoct/wat	13.053		Crippen Calculated Property
McVol	525.540	ml/mol	McGowan Calculated Property
Pc	466.89	kPa	Joback Calculated Property
Inp	[3746.49; 3746.49]
Inp	3746.49		NIST
Inp	3746.49		NIST
Tboil	694.54	K	Relay (1.0) Calculated Property
Tc	876.17	K	Relay (1.0) Calculated Property
Tfus	330.40	K	Relay (1.0) Calculated Property
Vc	2.066	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	[1954.91; 2112.57]	J/mol×K	[1099.37; 1434.20]
Cp,gas	1954.91	J/mol×K	1099.37	Joback Calculated Property
Cp,gas	1989.00	J/mol×K	1155.17	Joback Calculated Property
Cp,gas	2019.47	J/mol×K	1210.98	Joback Calculated Property
Cp,gas	2046.69	J/mol×K	1266.78	Joback Calculated Property
Cp,gas	2071.04	J/mol×K	1322.59	Joback Calculated Property
Cp,gas	2092.87	J/mol×K	1378.39	Joback Calculated Property
Cp,gas	2112.57	J/mol×K	1434.20	Joback Calculated Property
η	[0.0000064; 0.0002056]	Pa×s	[567.64; 1099.37]
η	0.0002056	Pa×s	567.64	Joback Calculated Property
η	0.0000781	Pa×s	656.26	Joback Calculated Property
η	0.0000374	Pa×s	744.88	Joback Calculated Property
η	0.0000209	Pa×s	833.50	Joback Calculated Property
η	0.0000131	Pa×s	922.13	Joback Calculated Property
η	0.0000089	Pa×s	1010.75	Joback Calculated Property
η	0.0000064	Pa×s	1099.37	Joback Calculated Property

Similar Compounds

Find more compounds similar to Eicosanoic acid, hexadecyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.