Chemical Properties of Sebacic acid, dodecyl neopentyl ester

InChI

InChI=1S/C27H52O4/c1-5-6-7-8-9-10-11-14-17-20-23-30-25(28)21-18-15-12-13-16-19-22-26(29)31-24-27(2,3)4/h5-24H2,1-4H3

InChI Key

GMZUIYTXGBTQRZ-UHFFFAOYSA-N

Formula

C27H52O4

SMILES

CCCCCCCCCCCCOC(=O)CCCCCCCCC(=O)OCC(C)(C)C

Molecular Weight¹

440.70

• 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).
• 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).
• 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[609.47; 1429.97]	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			4.69000e+00
Coefficient B			2.58508e+00
Coefficient C			-1.42760e-03
Coefficient D			2.67800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	609.47	J/mol×K	273.00	Calculated Property
Cp,gas	752.42	J/mol×K	353.78	Calculated Property
Cp,gas	880.44	J/mol×K	434.56	Calculated Property
Cp,gas	994.39	J/mol×K	515.33	Calculated Property
Cp,gas	1095.12	J/mol×K	596.11	Calculated Property
Cp,gas	1183.46	J/mol×K	676.89	Calculated Property
Cp,gas	1260.27	J/mol×K	757.67	Calculated Property
Cp,gas	1326.39	J/mol×K	838.44	Calculated Property
Cp,gas	1382.68	J/mol×K	919.22	Calculated Property
Cp,gas	1429.97	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005286; 0.0000213]	Pa×s	[481.13; 800.44]	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			-1.55946e+01
Coefficient B			3.87274e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			481.13
Temperature range, max.			800.44
η	0.0005286	Pa×s	481.13	Calculated Property
η	0.0003041	Pa×s	516.61	Calculated Property
η	0.0001878	Pa×s	552.09	Calculated Property
η	0.0001230	Pa×s	587.57	Calculated Property
η	0.0000845	Pa×s	623.04	Calculated Property
η	0.0000605	Pa×s	658.52	Calculated Property
η	0.0000448	Pa×s	694.00	Calculated Property
η	0.0000341	Pa×s	729.48	Calculated Property
η	0.0000267	Pa×s	764.96	Calculated Property
η	0.0000213	Pa×s	800.44	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, dodecyl neopentyl 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.