Chemical Properties of Octadecanoic acid, 2-propenyl ester (CAS 6289-31-2)

InChI

InChI=1S/C21H40O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(22)23-20-4-2/h4H,2-3,5-20H2,1H3

InChI Key

HPCIWDZYMSZAEZ-UHFFFAOYSA-N

Formula

C21H40O2

SMILES

C=CCOC(=O)CCCCCCCCCCCCCCCCC

Molecular Weight¹

324.54

CAS

6289-31-2

Other Names

• Stearic acid, allyl ester
• Allyl 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.9666		Relay (1.0) Calculated Property
ΔfG°	-96.59	kJ/mol	Joback Calculated Property
ΔfH°gas	-685.07	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	53.23	kJ/mol	Joback Calculated Property
ΔvapH°	103.83	kJ/mol	Relay (1.0) Calculated Property
IE	9.76	eV	Relay (1.0) Calculated Property
log10WS	-7.10		Relay (1.0) Calculated Property
logPoct/wat	6.977		Crippen Calculated Property
McVol	309.890	ml/mol	McGowan Calculated Property
Pc	984.55	kPa	Joback Calculated Property
Inp	[2251.00; 2251.00]
Inp	2251.00		NIST
Inp	2251.00		NIST
Tboil	620.69	K	Relay (1.0) Calculated Property
Tc	791.87	K	Relay (1.0) Calculated Property
Tfus	287.95	K	Relay (1.0) Calculated Property
Vc	1.185	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[933.81; 1038.05]	J/mol×K	[734.98; 906.03]
Cp,gas	933.81	J/mol×K	734.98	Joback Calculated Property
Cp,gas	953.50	J/mol×K	763.49	Joback Calculated Property
Cp,gas	972.22	J/mol×K	792.00	Joback Calculated Property
Cp,gas	990.01	J/mol×K	820.50	Joback Calculated Property
Cp,gas	1006.89	J/mol×K	849.01	Joback Calculated Property
Cp,gas	1022.90	J/mol×K	877.52	Joback Calculated Property
Cp,gas	1038.05	J/mol×K	906.03	Joback Calculated Property
η	[0.0000604; 0.0021326]	Pa×s	[367.00; 734.98]
η	0.0021326	Pa×s	367.00	Joback Calculated Property
η	0.0007696	Pa×s	428.33	Joback Calculated Property
η	0.0003585	Pa×s	489.66	Joback Calculated Property
η	0.0001980	Pa×s	550.99	Joback Calculated Property
η	0.0001231	Pa×s	612.32	Joback Calculated Property
η	0.0000835	Pa×s	673.65	Joback Calculated Property
η	0.0000604	Pa×s	734.98	Joback Calculated Property

Similar Compounds

Find more compounds similar to Octadecanoic acid, 2-propenyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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