Chemical Properties of Sebacic acid, ethyl 2-octyl ester

InChI

InChI=1S/C20H38O4/c1-4-6-7-12-15-18(3)24-20(22)17-14-11-9-8-10-13-16-19(21)23-5-2/h18H,4-17H2,1-3H3

InChI Key

PSXKZOWQOJQLBY-UHFFFAOYSA-N

Formula

C20H38O4

SMILES

CCCCCCC(C)OC(=O)CCCCCCCCC(=O)OCC

Molecular Weight¹

342.51

• 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	[462.12; 1067.90]	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			3.38440e+01
Coefficient B			1.80016e+00
Coefficient C			-8.78200e-04
Coefficient D			1.12100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	462.12	J/mol×K	273.00	Calculated Property
Cp,gas	565.75	J/mol×K	353.78	Calculated Property
Cp,gas	659.47	J/mol×K	434.56	Calculated Property
Cp,gas	743.65	J/mol×K	515.33	Calculated Property
Cp,gas	818.62	J/mol×K	596.11	Calculated Property
Cp,gas	884.75	J/mol×K	676.89	Calculated Property
Cp,gas	942.38	J/mol×K	757.67	Calculated Property
Cp,gas	991.89	J/mol×K	838.44	Calculated Property
Cp,gas	1033.61	J/mol×K	919.22	Calculated Property
Cp,gas	1067.90	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0019705; 0.0000725]	Pa×s	[384.82; 665.87]	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			-1.40537e+01
Coefficient B			3.01090e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			384.82
Temperature range, max.			665.87
η	0.0019705	Pa×s	384.82	Calculated Property
η	0.0010953	Pa×s	416.05	Calculated Property
η	0.0006608	Pa×s	447.27	Calculated Property
η	0.0004259	Pa×s	478.50	Calculated Property
η	0.0002897	Pa×s	509.73	Calculated Property
η	0.0002060	Pa×s	540.96	Calculated Property
η	0.0001520	Pa×s	572.18	Calculated Property
η	0.0001158	Pa×s	603.41	Calculated Property
η	0.0000906	Pa×s	634.64	Calculated Property
η	0.0000725	Pa×s	665.87	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• 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.
These property values are available through the Cheméo API. A free account gives you an access key.