Chemical Properties of Sebacic acid, 2-ethoxyethyl octyl ester

InChI

InChI=1S/C22H42O5/c1-3-5-6-7-12-15-18-26-21(23)16-13-10-8-9-11-14-17-22(24)27-20-19-25-4-2/h3-20H2,1-2H3

InChI Key

HWYFPZPKWILTKQ-UHFFFAOYSA-N

Formula

C22H42O5

SMILES

CCCCCCCCOC(=O)CCCCCCCCC(=O)OCCOCC

Molecular Weight¹

386.57

• 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

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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[520.26; 1189.05]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			5.92080e+01
Coefficient B			1.92104e+00
Coefficient C			-8.72800e-04
Coefficient D			8.16000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	520.26	J/mol×K	273.00	Calculated Property
Cp,gas	633.20	J/mol×K	353.78	Calculated Property
Cp,gas	735.88	J/mol×K	434.56	Calculated Property
Cp,gas	828.56	J/mol×K	515.33	Calculated Property
Cp,gas	911.50	J/mol×K	596.11	Calculated Property
Cp,gas	984.95	J/mol×K	676.89	Calculated Property
Cp,gas	1049.17	J/mol×K	757.67	Calculated Property
Cp,gas	1104.42	J/mol×K	838.44	Calculated Property
Cp,gas	1150.96	J/mol×K	919.22	Calculated Property
Cp,gas	1189.05	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007486; 0.0000440]	Pa×s	[444.59; 721.44]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.45827e+01
Coefficient B			3.28349e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			444.59
Temperature range, max.			721.44
η	0.0007486	Pa×s	444.59	Calculated Property
η	0.0004642	Pa×s	475.35	Calculated Property
η	0.0003051	Pa×s	506.11	Calculated Property
η	0.0002104	Pa×s	536.87	Calculated Property
η	0.0001510	Pa×s	567.63	Calculated Property
η	0.0001122	Pa×s	598.39	Calculated Property
η	0.0000858	Pa×s	629.16	Calculated Property
η	0.0000673	Pa×s	659.92	Calculated Property
η	0.0000539	Pa×s	690.68	Calculated Property
η	0.0000440	Pa×s	721.44	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, 2-ethoxyethyl octyl ester.

Sources

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

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