Chemical Properties of Octadecyl acrylate (CAS 4813-57-4)

InChI

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

InChI Key

FSAJWMJJORKPKS-UHFFFAOYSA-N

Formula

C21H40O2

SMILES

C=CC(=O)OCCCCCCCCCCCCCCCCCC

Molecular Weight¹

324.54

CAS

4813-57-4

Other Names

• 2-Propenoic acid, octadecyl ester
• Propenoic acid, octadecyl ester

• 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).
• 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	1.0137		Relay (1.0) Calculated Property
ΔfH°gas	-686.23	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	53.23	kJ/mol	Joback Calculated Property
ΔvapH°	107.06	kJ/mol	Relay (1.0) Calculated Property
IE	10.05	eV	Relay (1.0) Calculated Property
log10WS	-7.31		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	[2278.00; 2278.00]
Inp	2278.00		NIST
Inp	2278.00		NIST
Tboil	610.77	K	Relay (1.0) Calculated Property
Tc	791.06	K	Relay (1.0) Calculated Property
Tfus	303.03	K	Relay (1.0) Calculated Property
Vc	1.204	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	[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 Octadecyl acrylate.

Sources

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

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