Chemical Properties of Eicosanoic acid, octadecyl ester (CAS 22432-79-7)

InChI

InChI=1S/C38H76O2/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38(39)40-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h3-37H2,1-2H3

InChI Key

XPRSWAIUFMEQLF-UHFFFAOYSA-N

Formula

C38H76O2

SMILES

CCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCC

Molecular Weight¹

565.01

CAS

22432-79-7

Other Names

• Heptadecyl arachidate
• Octadecyl eicosanoate
• Stearyl arachidate
• octadecyl icosanoate

• 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	1.6065		Relay (1.0) Calculated Property
ΔfH°gas	-1142.75	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	96.96	kJ/mol	Joback Calculated Property
ΔvapH°	176.29	kJ/mol	Relay (1.0) Calculated Property
IE	10.26	eV	Relay (1.0) Calculated Property
log10WS	-11.91		Relay (1.0) Calculated Property
logPoct/wat	13.833		Crippen Calculated Property
McVol	553.720	ml/mol	McGowan Calculated Property
Pc	430.43	kPa	Joback Calculated Property
Inp	[3945.99; 3945.99]
Inp	3945.99		NIST
Inp	3945.99		NIST
Tboil	706.92	K	Relay (1.0) Calculated Property
Tc	886.96	K	Relay (1.0) Calculated Property
Tfus	333.48	K	Relay (1.0) Calculated Property
Vc	2.174	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	[2091.96; 2262.08]	J/mol×K	[1145.13; 1530.59]
Cp,gas	2091.96	J/mol×K	1145.13	Joback Calculated Property
Cp,gas	2129.57	J/mol×K	1209.37	Joback Calculated Property
Cp,gas	2162.67	J/mol×K	1273.62	Joback Calculated Property
Cp,gas	2191.88	J/mol×K	1337.86	Joback Calculated Property
Cp,gas	2217.78	J/mol×K	1402.10	Joback Calculated Property
Cp,gas	2240.98	J/mol×K	1466.35	Joback Calculated Property
Cp,gas	2262.08	J/mol×K	1530.59	Joback Calculated Property
η	[0.0000046; 0.0001520]	Pa×s	[590.18; 1145.13]
η	0.0001520	Pa×s	590.18	Joback Calculated Property
η	0.0000572	Pa×s	682.67	Joback Calculated Property
η	0.0000272	Pa×s	775.16	Joback Calculated Property
η	0.0000151	Pa×s	867.65	Joback Calculated Property
η	0.0000094	Pa×s	960.15	Joback Calculated Property
η	0.0000064	Pa×s	1052.64	Joback Calculated Property
η	0.0000046	Pa×s	1145.13	Joback Calculated Property

Similar Compounds

Find more compounds similar to Eicosanoic acid, octadecyl 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.