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

InChI

InChI=1S/C25H48O5/c1-4-5-6-7-10-13-16-20-29-24(26)17-14-11-8-9-12-15-18-25(27)30-22-23(2)19-21-28-3/h23H,4-22H2,1-3H3

InChI Key

KKQANRFIVATCCS-UHFFFAOYSA-N

Formula

C25H48O5

SMILES

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

Molecular Weight¹

428.65

Other Names

• Sebacic acid, 4-methoxy-2-methylphenyl nonyl 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	[583.59; 1344.36]	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			5.47990e+01
Coefficient B			2.21196e+00
Coefficient C			-1.03920e-03
Coefficient D			1.16800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	583.59	J/mol×K	273.00	Calculated Property
Cp,gas	712.45	J/mol×K	353.78	Calculated Property
Cp,gas	829.36	J/mol×K	434.56	Calculated Property
Cp,gas	934.70	J/mol×K	515.33	Calculated Property
Cp,gas	1028.84	J/mol×K	596.11	Calculated Property
Cp,gas	1112.13	J/mol×K	676.89	Calculated Property
Cp,gas	1184.97	J/mol×K	757.67	Calculated Property
Cp,gas	1247.70	J/mol×K	838.44	Calculated Property
Cp,gas	1300.71	J/mol×K	919.22	Calculated Property
Cp,gas	1344.36	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005911; 0.0000249]	Pa×s	[463.40; 782.12]	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			-1.52103e+01
Coefficient B			3.60379e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			463.40
Temperature range, max.			782.12
η	0.0005911	Pa×s	463.40	Calculated Property
η	0.0003403	Pa×s	498.81	Calculated Property
η	0.0002108	Pa×s	534.23	Calculated Property
η	0.0001386	Pa×s	569.64	Calculated Property
η	0.0000957	Pa×s	605.05	Calculated Property
η	0.0000689	Pa×s	640.47	Calculated Property
η	0.0000513	Pa×s	675.88	Calculated Property
η	0.0000393	Pa×s	711.29	Calculated Property
η	0.0000309	Pa×s	746.70	Calculated Property
η	0.0000249	Pa×s	782.12	Calculated Property

Similar Compounds

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

Sources

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

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