Chemical Properties of Sebacic acid, di(3-methylpentyl) ester

InChI

InChI=1S/C22H42O4/c1-5-19(3)15-17-25-21(23)13-11-9-7-8-10-12-14-22(24)26-18-16-20(4)6-2/h19-20H,5-18H2,1-4H3

InChI Key

TZNRJKVAVZZMSM-UHFFFAOYSA-N

Formula

C22H42O4

SMILES

CCC(C)CCOC(=O)CCCCCCCCC(=O)OCCC(C)CC

Molecular Weight¹

370.57

• 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).
• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1092.98; 1190.16]	J/mol×K	[854.46; 1046.57]
Cp,gas	1092.98	J/mol×K	854.46	Joback Calculated Property
Cp,gas	1112.15	J/mol×K	886.48	Joback Calculated Property
Cp,gas	1130.10	J/mol×K	918.50	Joback Calculated Property
Cp,gas	1146.85	J/mol×K	950.51	Joback Calculated Property
Cp,gas	1162.43	J/mol×K	982.53	Joback Calculated Property
Cp,gas	1176.86	J/mol×K	1014.55	Joback Calculated Property
Cp,gas	1190.16	J/mol×K	1046.57	Joback Calculated Property
η	[0.0000333; 0.0009298]	Pa×s	[452.02; 854.46]
η	0.0009298	Pa×s	452.02	Joback Calculated Property
η	0.0003731	Pa×s	519.09	Joback Calculated Property
η	0.0001845	Pa×s	586.17	Joback Calculated Property
η	0.0001055	Pa×s	653.24	Joback Calculated Property
η	0.0000669	Pa×s	720.31	Joback Calculated Property
η	0.0000458	Pa×s	787.39	Joback Calculated Property
η	0.0000333	Pa×s	854.46	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, di(3-methylpentyl) 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.