Chemical Properties of Oleic acid, eicosyl ester (CAS 22393-88-0)

InChI

InChI=1S/C38H74O2/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-37-40-38(39)36-34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h18,22H,3-17,19-21,23-37H2,1-2H3/b22-18-

InChI Key

HKJBUPVMFYBSHI-PYCFMQQDSA-N

Formula

C38H74O2

SMILES

CCCCCCCCC=CCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCC

Molecular Weight¹

562.99

CAS

22393-88-0

Other Names

• 9-Octadecenoic acid (Z)-, eicosyl ester
• icosyl oleate
• Octadec-9-enoic acid icosyl ester, Z

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	1.5254		Relay (1.0) Calculated Property
ΔfG°	115.38	kJ/mol	Joback Calculated Property
ΔfH°gas	-1083.56	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	97.17	kJ/mol	Joback Calculated Property
ΔvapH°	171.16	kJ/mol	Relay (1.0) Calculated Property
IE	9.45	eV	Relay (1.0) Calculated Property
log10WS	-11.56		Relay (1.0) Calculated Property
logPoct/wat	13.609		Crippen Calculated Property
McVol	549.420	ml/mol	McGowan Calculated Property
Pc	439.87	kPa	Joback Calculated Property
Inp	[3922.10; 3922.10]
Inp	3922.10		NIST
Inp	3922.10		NIST
Tboil	713.07	K	Relay (1.0) Calculated Property
Tc	892.18	K	Relay (1.0) Calculated Property
Tfus	315.10	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume 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	[2064.62; 2249.29]	J/mol×K	[1149.29; 1523.64]
Cp,gas	2064.62	J/mol×K	1149.29	Joback Calculated Property
Cp,gas	2102.17	J/mol×K	1211.68	Joback Calculated Property
Cp,gas	2136.19	J/mol×K	1274.07	Joback Calculated Property
Cp,gas	2167.30	J/mol×K	1336.46	Joback Calculated Property
Cp,gas	2196.10	J/mol×K	1398.86	Joback Calculated Property
Cp,gas	2223.22	J/mol×K	1461.25	Joback Calculated Property
Cp,gas	2249.29	J/mol×K	1523.64	Joback Calculated Property
η	[0.0000041; 0.0001421]	Pa×s	[585.10; 1149.29]
η	0.0001421	Pa×s	585.10	Joback Calculated Property
η	0.0000522	Pa×s	679.13	Joback Calculated Property
η	0.0000245	Pa×s	773.16	Joback Calculated Property
η	0.0000135	Pa×s	867.19	Joback Calculated Property
η	0.0000084	Pa×s	961.23	Joback Calculated Property
η	0.0000057	Pa×s	1055.26	Joback Calculated Property
η	0.0000041	Pa×s	1149.29	Joback Calculated Property

Similar Compounds

Find more compounds similar to Oleic acid, eicosyl ester.

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.