Chemical Properties of Octadecanoic acid, 9-octadecenyl ester, (Z)- (CAS 17673-50-6)

InChI

InChI=1S/C36H70O2/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/h17,19H,3-16,18,20-35H2,1-2H3/b19-17-

InChI Key

YYDZACXIVKPEAI-ZPHPHTNESA-N

Formula

C36H70O2

SMILES

CCCCCCCCC=CCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCC

Molecular Weight¹

534.94

CAS

17673-50-6

Other Names

• Stearic acid, 9-octadecenyl ester, (Z)-
• cis-9-Octadecenyl Stearate
• Oleyl stearate
• Octadecanoic acid octadec-9-enyl ester, Z
• (Z)-octadec-9-enyl stearate

• 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	1.4554		Relay (1.0) Calculated Property
ΔfG°	22.09	kJ/mol	Joback Calculated Property
ΔfH°gas	-1042.25	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	93.57	kJ/mol	Joback Calculated Property
ΔvapH°	163.68	kJ/mol	Relay (1.0) Calculated Property
IE	9.38	eV	Relay (1.0) Calculated Property
log10WS	-11.01		Relay (1.0) Calculated Property
logPoct/wat	12.829		Crippen Calculated Property
McVol	521.240	ml/mol	McGowan Calculated Property
Pc	469.12	kPa	Joback Calculated Property
Inp	[3720.72; 3720.72]
Inp	3720.72		NIST
Inp	3720.72		NIST
Tboil	700.67	K	Relay (1.0) Calculated Property
Tc	884.33	K	Relay (1.0) Calculated Property
Tfus	306.75	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	[1914.68; 2074.22]	J/mol×K	[1085.66; 1401.62]
Cp,gas	1914.68	J/mol×K	1085.66	Joback Calculated Property
Cp,gas	1947.46	J/mol×K	1138.32	Joback Calculated Property
Cp,gas	1977.29	J/mol×K	1190.98	Joback Calculated Property
Cp,gas	2004.52	J/mol×K	1243.64	Joback Calculated Property
Cp,gas	2029.52	J/mol×K	1296.30	Joback Calculated Property
Cp,gas	2052.63	J/mol×K	1348.96	Joback Calculated Property
Cp,gas	2074.22	J/mol×K	1401.62	Joback Calculated Property
η	[0.0000049; 0.0002378]	Pa×s	[532.73; 1085.66]
η	0.0002378	Pa×s	532.73	Joback Calculated Property
η	0.0000771	Pa×s	624.88	Joback Calculated Property
η	0.0000334	Pa×s	717.04	Joback Calculated Property
η	0.0000175	Pa×s	809.19	Joback Calculated Property
η	0.0000105	Pa×s	901.35	Joback Calculated Property
η	0.0000069	Pa×s	993.50	Joback Calculated Property
η	0.0000049	Pa×s	1085.66	Joback Calculated Property

Similar Compounds

Find more compounds similar to Octadecanoic acid, 9-octadecenyl ester, (Z)-.

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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