Chemical Properties of Sebacic acid, 2-methylphenyl undecyl ester

InChI

InChI=1S/C28H46O4/c1-3-4-5-6-7-8-11-14-19-24-31-27(29)22-15-12-9-10-13-16-23-28(30)32-26-21-18-17-20-25(26)2/h17-18,20-21H,3-16,19,22-24H2,1-2H3

InChI Key

UEKSSMPIEYRNAB-UHFFFAOYSA-N

Formula

C28H46O4

SMILES

CCCCCCCCCCCOC(=O)CCCCCCCCC(=O)Oc1ccccc1C

Molecular Weight¹

446.66

• 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	[577.44; 1358.53]	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			8.64800e+00
Coefficient B			2.41584e+00
Coefficient C			-1.27436e-03
Coefficient D			2.08400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	577.44	J/mol×K	273.00	Calculated Property
Cp,gas	713.05	J/mol×K	353.78	Calculated Property
Cp,gas	834.92	J/mol×K	434.56	Calculated Property
Cp,gas	943.70	J/mol×K	515.33	Calculated Property
Cp,gas	1040.06	J/mol×K	596.11	Calculated Property
Cp,gas	1124.65	J/mol×K	676.89	Calculated Property
Cp,gas	1198.13	J/mol×K	757.67	Calculated Property
Cp,gas	1261.17	J/mol×K	838.44	Calculated Property
Cp,gas	1314.41	J/mol×K	919.22	Calculated Property
Cp,gas	1358.53	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003273; 0.0000233]	Pa×s	[528.92; 848.97]	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			-1.50362e+01
Coefficient B			3.70852e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			528.92
Temperature range, max.			848.97
η	0.0003273	Pa×s	528.92	Calculated Property
η	0.0002104	Pa×s	564.48	Calculated Property
η	0.0001426	Pa×s	600.04	Calculated Property
η	0.0001009	Pa×s	635.60	Calculated Property
η	0.0000741	Pa×s	671.16	Calculated Property
η	0.0000561	Pa×s	706.73	Calculated Property
η	0.0000436	Pa×s	742.29	Calculated Property
η	0.0000347	Pa×s	777.85	Calculated Property
η	0.0000282	Pa×s	813.41	Calculated Property
η	0.0000233	Pa×s	848.97	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, 2-methylphenyl undecyl ester.

Sources

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

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