Chemical Properties of Sebacic acid, di(4-isopropoxyphenyl) ester

InChI

InChI=1S/C28H38O6/c1-21(2)31-23-13-17-25(18-14-23)33-27(29)11-9-7-5-6-8-10-12-28(30)34-26-19-15-24(16-20-26)32-22(3)4/h13-22H,5-12H2,1-4H3

InChI Key

IPDJFIZPGSWTCB-UHFFFAOYSA-N

Formula

C28H38O6

SMILES

CC(C)Oc1ccc(OC(=O)CCCCCCCCC(=O)Oc2ccc(OC(C)C)cc2)cc1

Molecular Weight¹

470.60

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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	[552.91; 1275.04]	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			3.66780e+01
Coefficient B			2.16288e+00
Coefficient C			-1.02292e-03
Coefficient D			9.84000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	552.91	J/mol×K	273.00	Calculated Property
Cp,gas	678.19	J/mol×K	353.78	Calculated Property
Cp,gas	791.48	J/mol×K	434.56	Calculated Property
Cp,gas	893.09	J/mol×K	515.33	Calculated Property
Cp,gas	983.35	J/mol×K	596.11	Calculated Property
Cp,gas	1062.54	J/mol×K	676.89	Calculated Property
Cp,gas	1131.00	J/mol×K	757.67	Calculated Property
Cp,gas	1189.03	J/mol×K	838.44	Calculated Property
Cp,gas	1236.94	J/mol×K	919.22	Calculated Property
Cp,gas	1275.04	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001328; 0.0000110]	Pa×s	[582.32; 911.93]	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			-1.58140e+01
Coefficient B			4.01050e+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.			582.32
Temperature range, max.			911.93
η	0.0001328	Pa×s	582.32	Calculated Property
η	0.0000883	Pa×s	618.94	Calculated Property
η	0.0000615	Pa×s	655.57	Calculated Property
η	0.0000445	Pa×s	692.19	Calculated Property
η	0.0000333	Pa×s	728.81	Calculated Property
η	0.0000256	Pa×s	765.44	Calculated Property
η	0.0000201	Pa×s	802.06	Calculated Property
η	0.0000162	Pa×s	838.69	Calculated Property
η	0.0000132	Pa×s	875.31	Calculated Property
η	0.0000110	Pa×s	911.93	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, di(4-isopropoxyphenyl) 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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