Chemical Properties of Z-13-Octadecen-1-yl acetate (CAS 60037-58-3)

InChI

InChI=1S/C20H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20(2)21/h6-7H,3-5,8-19H2,1-2H3/b7-6-

InChI Key

PPNRRQMJESAXGJ-SREVYHEPSA-N

Formula

C20H38O2

SMILES

CCCCC=CCCCCCCCCCCCCOC(C)=O

Molecular Weight¹

310.51

CAS

60037-58-3

Other Names

• (Z) 13-octadecenyl acetate
• (Z)-octadec-13-en-1-yl acetate
• Z-13-Octadecen-1-ol acetate

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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.
• I : 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	0.8845		Relay (1.0) Calculated Property
ΔfH°gas	-719.53	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	52.13	kJ/mol	Joback Calculated Property
ΔvapH°	108.70	kJ/mol	NIST
IE	8.95	eV	Relay (1.0) Calculated Property
log10WS	-6.54		Relay (1.0) Calculated Property
logPoct/wat	6.587		Crippen Calculated Property
McVol	295.800	ml/mol	McGowan Calculated Property
Pc	1053.46	kPa	Joback Calculated Property
Inp	2200.00		NIST
I	[2054.00; 2054.00]
I	2054.00		NIST
I	2054.00		NIST
Tboil	598.08	K	Relay (1.0) Calculated Property
Tc	775.52	K	Relay (1.0) Calculated Property
Tfus	278.69	K	Relay (1.0) Calculated Property
Vc	1.131	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation 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	[876.30; 978.65]	J/mol×K	[719.58; 891.21]
Cp,gas	876.30	J/mol×K	719.58	Joback Calculated Property
Cp,gas	895.58	J/mol×K	748.19	Joback Calculated Property
Cp,gas	913.92	J/mol×K	776.79	Joback Calculated Property
Cp,gas	931.37	J/mol×K	805.40	Joback Calculated Property
Cp,gas	947.96	J/mol×K	834.00	Joback Calculated Property
Cp,gas	963.70	J/mol×K	862.61	Joback Calculated Property
Cp,gas	978.65	J/mol×K	891.21	Joback Calculated Property
η	[0.0000566; 0.0023028]	Pa×s	[352.41; 719.58]
η	0.0023028	Pa×s	352.41	Joback Calculated Property
η	0.0007863	Pa×s	413.60	Joback Calculated Property
η	0.0003541	Pa×s	474.80	Joback Calculated Property
η	0.0001914	Pa×s	535.99	Joback Calculated Property
η	0.0001173	Pa×s	597.19	Joback Calculated Property
η	0.0000788	Pa×s	658.38	Joback Calculated Property
η	0.0000566	Pa×s	719.58	Joback Calculated Property
ΔvapH	108.80	kJ/mol	298.15	The Vaporization Enthalpies and Vapor Pressures of Some Insect Pheromones by Correlation Gas Chromatography

Similar Compounds

Find more compounds similar to Z-13-Octadecen-1-yl acetate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• The Vaporization Enthalpies and Vapor Pressures of Some Insect Pheromones by Correlation Gas Chromatography
• Joback Method
• McGowan Method
• NIST Webbook

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