Chemical Properties of Sebacic acid, heptyl 2-methoxyethyl ester

InChI

InChI=1S/C20H38O5/c1-3-4-5-10-13-16-24-19(21)14-11-8-6-7-9-12-15-20(22)25-18-17-23-2/h3-18H2,1-2H3

InChI Key

FNCXXISHAIOOGE-UHFFFAOYSA-N

Formula

C20H38O5

SMILES

CCCCCCCOC(=O)CCCCCCCCC(=O)OCCOC

Molecular Weight¹

358.51

• 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	[477.84; 1085.87]	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			6.10260e+01
Coefficient B			1.73104e+00
Coefficient C			-7.64000e-04
Coefficient D			5.78000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	477.84	J/mol×K	273.00	Calculated Property
Cp,gas	580.37	J/mol×K	353.78	Calculated Property
Cp,gas	673.73	J/mol×K	434.56	Calculated Property
Cp,gas	758.10	J/mol×K	515.33	Calculated Property
Cp,gas	833.68	J/mol×K	596.11	Calculated Property
Cp,gas	900.63	J/mol×K	676.89	Calculated Property
Cp,gas	959.14	J/mol×K	757.67	Calculated Property
Cp,gas	1009.39	J/mol×K	838.44	Calculated Property
Cp,gas	1051.57	J/mol×K	919.22	Calculated Property
Cp,gas	1085.87	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009816; 0.0000594]	Pa×s	[422.05; 683.49]	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			-1.42600e+01
Coefficient B			3.09517e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			422.05
Temperature range, max.			683.49
η	0.0009816	Pa×s	422.05	Calculated Property
η	0.0006121	Pa×s	451.10	Calculated Property
η	0.0004042	Pa×s	480.15	Calculated Property
η	0.0002798	Pa×s	509.20	Calculated Property
η	0.0002015	Pa×s	538.24	Calculated Property
η	0.0001501	Pa×s	567.29	Calculated Property
η	0.0001151	Pa×s	596.34	Calculated Property
η	0.0000904	Pa×s	625.39	Calculated Property
η	0.0000726	Pa×s	654.44	Calculated Property
η	0.0000594	Pa×s	683.49	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, heptyl 2-methoxyethyl 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.