Chemical Properties of Sebacic acid, 4-methoxy-2-methylbutyl pentyl ester

InChI

InChI=1S/C21H40O5/c1-4-5-12-16-25-20(22)13-10-8-6-7-9-11-14-21(23)26-18-19(2)15-17-24-3/h19H,4-18H2,1-3H3

InChI Key

YEOSWXMPRWZXGK-UHFFFAOYSA-N

Formula

C21H40O5

SMILES

CCCCCOC(=O)CCCCCCCCC(=O)OCC(C)CCOC

Molecular Weight¹

372.55

Other Names

• Sebacic acid, 4-methoxy-2-methylphenyl pentyl ester

• 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	[498.74; 1137.99]	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			5.84350e+01
Coefficient B			1.83196e+00
Coefficient C			-8.21600e-04
Coefficient D			6.92000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	498.74	J/mol×K	273.00	Calculated Property
Cp,gas	606.78	J/mol×K	353.78	Calculated Property
Cp,gas	705.05	J/mol×K	434.56	Calculated Property
Cp,gas	793.78	J/mol×K	515.33	Calculated Property
Cp,gas	873.19	J/mol×K	596.11	Calculated Property
Cp,gas	943.49	J/mol×K	676.89	Calculated Property
Cp,gas	1004.90	J/mol×K	757.67	Calculated Property
Cp,gas	1057.64	J/mol×K	838.44	Calculated Property
Cp,gas	1101.94	J/mol×K	919.22	Calculated Property
Cp,gas	1138.00	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010700; 0.0000473]	Pa×s	[418.32; 702.09]	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			-1.45546e+01
Coefficient B			3.22715e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			418.32
Temperature range, max.			702.09
η	0.0010700	Pa×s	418.32	Calculated Property
η	0.0006231	Pa×s	449.85	Calculated Property
η	0.0003895	Pa×s	481.38	Calculated Property
η	0.0002579	Pa×s	512.91	Calculated Property
η	0.0001792	Pa×s	544.44	Calculated Property
η	0.0001295	Pa×s	575.97	Calculated Property
η	0.0000968	Pa×s	607.50	Calculated Property
η	0.0000745	Pa×s	639.03	Calculated Property
η	0.0000588	Pa×s	670.56	Calculated Property
η	0.0000473	Pa×s	702.09	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, 4-methoxy-2-methylbutyl pentyl ester.

Sources

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

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