Chemical Properties of Hexadecanoic acid, 9-octadecenyl ester, (Z)- (CAS 2906-55-0)

InChI

InChI=1S/C34H66O2/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33-36-34(35)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h17-18H,3-16,19-33H2,1-2H3/b18-17-

InChI Key

ZCVXZRVTVSAZJS-ZCXUNETKSA-N

Formula

C34H66O2

SMILES

CCCCCCCCC=CCCCCCCCCOC(=O)CCCCCCCCCCCCCCC

Molecular Weight¹

506.89

CAS

2906-55-0

Other Names

• (Z)-Octadec-9-enyl palmitate
• Hexadecanoic acid octadec-9-enyl ester, Z
• Hexadecanoic acid, (9Z)-9-octadecenyl ester
• Oleyl palmitate
• Palmitic acid, 9-octadecenyl 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	1.3853		Relay (1.0) Calculated Property
ΔfG°	5.25	kJ/mol	Joback Calculated Property
ΔfH°gas	-1000.57	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	88.39	kJ/mol	Joback Calculated Property
ΔvapH°	154.98	kJ/mol	Relay (1.0) Calculated Property
IE	9.30	eV	Relay (1.0) Calculated Property
log10WS	-10.46		Relay (1.0) Calculated Property
logPoct/wat	12.048		Crippen Calculated Property
McVol	493.060	ml/mol	McGowan Calculated Property
Pc	510.71	kPa	Joback Calculated Property
Inp	[3520.87; 3520.87]
Inp	3520.87		NIST
Inp	3520.87		NIST
Tboil	688.25	K	Relay (1.0) Calculated Property
Tc	873.14	K	Relay (1.0) Calculated Property
Tfus	303.24	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	[1778.65; 1925.37]	J/mol×K	[1039.90; 1318.53]
Cp,gas	1778.65	J/mol×K	1039.90	Joback Calculated Property
Cp,gas	1808.42	J/mol×K	1086.34	Joback Calculated Property
Cp,gas	1835.76	J/mol×K	1132.78	Joback Calculated Property
Cp,gas	1860.89	J/mol×K	1179.21	Joback Calculated Property
Cp,gas	1884.05	J/mol×K	1225.65	Joback Calculated Property
Cp,gas	1905.47	J/mol×K	1272.09	Joback Calculated Property
Cp,gas	1925.37	J/mol×K	1318.53	Joback Calculated Property
η	[0.0000068; 0.0003249]	Pa×s	[510.19; 1039.90]
η	0.0003249	Pa×s	510.19	Joback Calculated Property
η	0.0001059	Pa×s	598.47	Joback Calculated Property
η	0.0000460	Pa×s	686.76	Joback Calculated Property
η	0.0000242	Pa×s	775.04	Joback Calculated Property
η	0.0000145	Pa×s	863.33	Joback Calculated Property
η	0.0000096	Pa×s	951.61	Joback Calculated Property
η	0.0000068	Pa×s	1039.90	Joback Calculated Property

Similar Compounds

Find more compounds similar to Hexadecanoic 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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