Chemical Properties of Sebacic acid, 3,4-dimethylphenyl isohexyl ester

InChI

InChI=1S/C24H38O4/c1-19(2)12-11-17-27-23(25)13-9-7-5-6-8-10-14-24(26)28-22-16-15-20(3)21(4)18-22/h15-16,18-19H,5-14,17H2,1-4H3

InChI Key

NKXAQIFWSKBQJM-UHFFFAOYSA-N

Formula

C24H38O4

SMILES

Cc1ccc(OC(=O)CCCCCCCCC(=O)OCCCC(C)C)cc1C

Molecular Weight¹

390.56

• 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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	[494.82; 1149.66]	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			2.49010e+01
Coefficient B			1.98228e+00
Coefficient C			-9.92920e-04
Coefficient D			1.35400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	494.82	J/mol×K	273.00	Calculated Property
Cp,gas	607.91	J/mol×K	353.78	Calculated Property
Cp,gas	709.92	J/mol×K	434.56	Calculated Property
Cp,gas	801.28	J/mol×K	515.33	Calculated Property
Cp,gas	882.41	J/mol×K	596.11	Calculated Property
Cp,gas	953.74	J/mol×K	676.89	Calculated Property
Cp,gas	1015.71	J/mol×K	757.67	Calculated Property
Cp,gas	1068.73	J/mol×K	838.44	Calculated Property
Cp,gas	1113.24	J/mol×K	919.22	Calculated Property
Cp,gas	1149.66	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005418; 0.0000400]	Pa×s	[481.36; 773.84]	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			-1.44144e+01
Coefficient B			3.31844e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			481.36
Temperature range, max.			773.84
η	0.0005418	Pa×s	481.36	Calculated Property
η	0.0003504	Pa×s	513.86	Calculated Property
η	0.0002386	Pa×s	546.36	Calculated Property
η	0.0001697	Pa×s	578.85	Calculated Property
η	0.0001251	Pa×s	611.35	Calculated Property
η	0.0000951	Pa×s	643.85	Calculated Property
η	0.0000743	Pa×s	676.35	Calculated Property
η	0.0000593	Pa×s	708.84	Calculated Property
η	0.0000483	Pa×s	741.34	Calculated Property
η	0.0000400	Pa×s	773.84	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, 3,4-dimethylphenyl 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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