Chemical Properties of Oleyl oleate (CAS 3687-45-4)

InChI

InChI=1S/C36H68O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-36(37)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-35H2,1-2H3/b19-17-,20-18-

InChI Key

BARWIPMJPCRCTP-CLFAGFIQSA-N

Formula

C36H68O2

SMILES

CCCCCCCCC=CCCCCCCCCOC(=O)CCCCCCCC=CCCCCCCCC

Molecular Weight¹

532.92

CAS

3687-45-4

Other Names

• 9-Octadecenoic acid (Z)-, 9-octadecenyl ester, (Z)-
• Oleic acid, (Z)-9-octadecenyl ester
• Cetiol
• Oleic acid oleyl ester
• Schercemol OLO ester
• Wickenol 143
• (9Z)-9-Octadecenyl (9Z)-9-octadecenoate
• (Z)-Octadec-9-enyl oleate
• 9-Octadecenoic acid (9Z)-, (9Z)-9-octadecen-1-yl ester
• 9-Octadecenoic acid (9Z)-, (9Z)-9-octadecenyl ester
• Octadec-9-enoic acid octadec-9-enyl ester, Z,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	1.3821		Relay (1.0) Calculated Property
ΔfG°	178.76	kJ/mol	Joback Calculated Property
ΔfH°gas	-1003.79	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	92.19	kJ/mol	Joback Calculated Property
ΔvapH°	161.75	kJ/mol	Relay (1.0) Calculated Property
IE	8.91	eV	Relay (1.0) Calculated Property
log10WS	-10.65		Relay (1.0) Calculated Property
logPoct/wat	12.605		Crippen Calculated Property
McVol	516.940	ml/mol	McGowan Calculated Property
Pc	488.60	kPa	Joback Calculated Property
Inp	[3695.89; 3695.89]
Inp	3695.89		NIST
Inp	3695.89		NIST
Tboil	704.73	K	Relay (1.0) Calculated Property
Tc	887.76	K	Relay (1.0) Calculated Property
Tfus	295.00	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	[1899.39; 2072.61]	J/mol×K	[1107.69; 1426.10]
Cp,gas	1899.39	J/mol×K	1107.69	Joback Calculated Property
Cp,gas	1932.72	J/mol×K	1160.76	Joback Calculated Property
Cp,gas	1963.73	J/mol×K	1213.83	Joback Calculated Property
Cp,gas	1992.82	J/mol×K	1266.90	Joback Calculated Property
Cp,gas	2020.40	J/mol×K	1319.96	Joback Calculated Property
Cp,gas	2046.86	J/mol×K	1373.03	Joback Calculated Property
Cp,gas	2072.61	J/mol×K	1426.10	Joback Calculated Property
η	[0.0000050; 0.0001798]	Pa×s	[557.48; 1107.69]
η	0.0001798	Pa×s	557.48	Joback Calculated Property
η	0.0000649	Pa×s	649.18	Joback Calculated Property
η	0.0000301	Pa×s	740.88	Joback Calculated Property
η	0.0000166	Pa×s	832.59	Joback Calculated Property
η	0.0000103	Pa×s	924.29	Joback Calculated Property
η	0.0000069	Pa×s	1015.99	Joback Calculated Property
η	0.0000050	Pa×s	1107.69	Joback Calculated Property

Similar Compounds

Find more compounds similar to Oleyl oleate.

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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