Chemical Properties of Sebacic acid, 3,5-dimethylphenyl octyl ester

InChI

InChI=1S/C26H42O4/c1-4-5-6-7-12-15-18-29-25(27)16-13-10-8-9-11-14-17-26(28)30-24-20-22(2)19-23(3)21-24/h19-21H,4-18H2,1-3H3

InChI Key

LNOLUBQDBHQFQY-UHFFFAOYSA-N

Formula

C26H42O4

SMILES

CCCCCCCCOC(=O)CCCCCCCCC(=O)Oc1cc(C)cc(C)c1

Molecular Weight¹

418.62

• 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	[537.56; 1252.31]	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			2.47650e+01
Coefficient B			2.16636e+00
Coefficient C			-1.09852e-03
Coefficient D			1.59700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	537.56	J/mol×K	273.00	Calculated Property
Cp,gas	660.76	J/mol×K	353.78	Calculated Property
Cp,gas	771.83	J/mol×K	434.56	Calculated Property
Cp,gas	871.29	J/mol×K	515.33	Calculated Property
Cp,gas	959.63	J/mol×K	596.11	Calculated Property
Cp,gas	1037.36	J/mol×K	676.89	Calculated Property
Cp,gas	1104.99	J/mol×K	757.67	Calculated Property
Cp,gas	1163.02	J/mol×K	838.44	Calculated Property
Cp,gas	1211.96	J/mol×K	919.22	Calculated Property
Cp,gas	1252.31	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003620; 0.0000324]	Pa×s	[518.90; 812.10]	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			-1.46090e+01
Coefficient B			3.46894e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			518.90
Temperature range, max.			812.10
η	0.0003620	Pa×s	518.90	Calculated Property
η	0.0002439	Pa×s	551.48	Calculated Property
η	0.0001717	Pa×s	584.06	Calculated Property
η	0.0001255	Pa×s	616.63	Calculated Property
η	0.0000946	Pa×s	649.21	Calculated Property
η	0.0000733	Pa×s	681.79	Calculated Property
η	0.0000581	Pa×s	714.37	Calculated Property
η	0.0000470	Pa×s	746.95	Calculated Property
η	0.0000387	Pa×s	779.53	Calculated Property
η	0.0000324	Pa×s	812.10	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, 3,5-dimethylphenyl octyl ester.

Sources

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

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