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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	1.3821		Relay (... Calculated Property
ΔfG°	178.76	kJ/mol	Joback Calculated Property
ΔfH°gas	-1003.79	kJ/mol	Relay (... Calculated Property
ΔfusH°	92.19	kJ/mol	Joback Calculated Property
ΔvapH°	160.18	kJ/mol	Relay (... Calculated Property
IE	8.91	eV	Relay (... Calculated Property
log10WS	-10.65		Relay (... 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 (... Calculated Property
Tc	884.60	K	Relay (... Calculated Property
Tfus	299.04	K	Relay (... Calculated Property
Vc	1.946	m3/kmol	Relay (... Calculated Property

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

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