Chemical Properties of Octadecanoic acid, docosyl ester

InChI

InChI=1S/C40H80O2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-37-39-42-40(41)38-36-34-32-30-28-26-24-18-16-14-12-10-8-6-4-2/h3-39H2,1-2H3

InChI Key

SRKUMCYSWLWLLS-UHFFFAOYSA-N

Formula

C40H80O2

SMILES

CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCC

Molecular Weight¹

593.08

Other Names

• Stearic acid, docosyl ester
• Docosyl stearate
• docosanyl octadecanoate

• 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	1.6766		Relay (1.0) Calculated Property
ΔfH°gas	-1183.59	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	102.14	kJ/mol	Joback Calculated Property
ΔvapH°	185.50	kJ/mol	Relay (1.0) Calculated Property
IE	10.33	eV	Relay (1.0) Calculated Property
log10WS	-12.46		Relay (1.0) Calculated Property
logPoct/wat	14.613		Crippen Calculated Property
McVol	581.900	ml/mol	McGowan Calculated Property
Pc	398.09	kPa	Joback Calculated Property
Inp	[4146.65; 4146.65]
Inp	4146.65		NIST
Inp	4146.65		NIST
Tboil	719.29	K	Relay (1.0) Calculated Property
Tc	897.55	K	Relay (1.0) Calculated Property
Tfus	336.45	K	Relay (1.0) Calculated Property
Vc	2.283	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	[2229.58; 2416.46]	J/mol×K	[1190.89; 1638.25]
Cp,gas	2229.58	J/mol×K	1190.89	Joback Calculated Property
Cp,gas	2271.31	J/mol×K	1265.45	Joback Calculated Property
Cp,gas	2307.48	J/mol×K	1340.01	Joback Calculated Property
Cp,gas	2339.08	J/mol×K	1414.57	Joback Calculated Property
Cp,gas	2367.11	J/mol×K	1489.13	Joback Calculated Property
Cp,gas	2392.58	J/mol×K	1563.69	Joback Calculated Property
Cp,gas	2416.46	J/mol×K	1638.25	Joback Calculated Property
η	[0.0000033; 0.0001118]	Pa×s	[612.72; 1190.89]
η	0.0001118	Pa×s	612.72	Joback Calculated Property
η	0.0000417	Pa×s	709.08	Joback Calculated Property
η	0.0000197	Pa×s	805.44	Joback Calculated Property
η	0.0000109	Pa×s	901.80	Joback Calculated Property
η	0.0000068	Pa×s	998.17	Joback Calculated Property
η	0.0000046	Pa×s	1094.53	Joback Calculated Property
η	0.0000033	Pa×s	1190.89	Joback Calculated Property

Similar Compounds

Find more compounds similar to Octadecanoic acid, docosyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.