Chemical Properties of Sebacic acid, 2,6-dimethoxyphenyl isohexyl ester

InChI

InChI=1S/C24H38O6/c1-19(2)13-12-18-29-22(25)16-9-7-5-6-8-10-17-23(26)30-24-20(27-3)14-11-15-21(24)28-4/h11,14-15,19H,5-10,12-13,16-18H2,1-4H3

InChI Key

GBCUGJJTZUGPIS-UHFFFAOYSA-N

Formula

C24H38O6

SMILES

COc1cccc(OC)c1OC(=O)CCCCCCCCC(=O)OCCCC(C)C

Molecular Weight¹

422.56

• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, 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	[525.63; 1186.66]	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			7.59010e+01
Coefficient B			1.85588e+00
Coefficient C			-7.70920e-04
Coefficient D			2.58000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	525.63	J/mol×K	273.00	Calculated Property
Cp,gas	637.13	J/mol×K	353.78	Calculated Property
Cp,gas	738.92	J/mol×K	434.56	Calculated Property
Cp,gas	831.10	J/mol×K	515.33	Calculated Property
Cp,gas	913.73	J/mol×K	596.11	Calculated Property
Cp,gas	986.91	J/mol×K	676.89	Calculated Property
Cp,gas	1050.71	J/mol×K	757.67	Calculated Property
Cp,gas	1105.21	J/mol×K	838.44	Calculated Property
Cp,gas	1150.50	J/mol×K	919.22	Calculated Property
Cp,gas	1186.66	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002406; 0.0000222]	Pa×s	[525.82; 810.91]	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			-1.51077e+01
Coefficient B			3.56262e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			525.82
Temperature range, max.			810.91
η	0.0002406	Pa×s	525.82	Calculated Property
η	0.0001637	Pa×s	557.50	Calculated Property
η	0.0001161	Pa×s	589.17	Calculated Property
η	0.0000853	Pa×s	620.85	Calculated Property
η	0.0000646	Pa×s	652.53	Calculated Property
η	0.0000501	Pa×s	684.20	Calculated Property
η	0.0000398	Pa×s	715.88	Calculated Property
η	0.0000323	Pa×s	747.56	Calculated Property
η	0.0000266	Pa×s	779.23	Calculated Property
η	0.0000222	Pa×s	810.91	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, 2,6-dimethoxyphenyl isohexyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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