Chemical Properties of Sebacic acid, di(2,4-dichlorophenethyl) ester

InChI

InChI=1S/C26H30Cl4O4/c27-21-11-9-19(23(29)17-21)13-15-33-25(31)7-5-3-1-2-4-6-8-26(32)34-16-14-20-10-12-22(28)18-24(20)30/h9-12,17-18H,1-8,13-16H2

InChI Key

ZLXBIQPCBGGTBL-UHFFFAOYSA-N

Formula

C26H30Cl4O4

SMILES

O=C(CCCCCCCCC(=O)OCCc1ccc(Cl)cc1Cl)OCCc1ccc(Cl)cc1Cl

Molecular Weight¹

548.33

• 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).
• 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, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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	[539.02; 1160.78]	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			7.10220e+01
Coefficient B			1.99560e+00
Coefficient C			-1.07724e-03
Coefficient D			1.71400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	539.02	J/mol×K	273.00	Calculated Property
Cp,gas	649.78	J/mol×K	353.78	Calculated Property
Cp,gas	748.86	J/mol×K	434.56	Calculated Property
Cp,gas	836.80	J/mol×K	515.33	Calculated Property
Cp,gas	914.13	J/mol×K	596.11	Calculated Property
Cp,gas	981.41	J/mol×K	676.89	Calculated Property
Cp,gas	1039.17	J/mol×K	757.67	Calculated Property
Cp,gas	1087.96	J/mol×K	838.44	Calculated Property
Cp,gas	1128.32	J/mol×K	919.22	Calculated Property
Cp,gas	1160.78	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000923; 0.0000166]	Pa×s	[690.04; 972.13]	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			-1.52111e+01
Coefficient B			4.08512e+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.			690.04
Temperature range, max.			972.13
η	0.0000923	Pa×s	690.04	Calculated Property
η	0.0000713	Pa×s	721.38	Calculated Property
η	0.0000563	Pa×s	752.73	Calculated Property
η	0.0000454	Pa×s	784.07	Calculated Property
η	0.0000371	Pa×s	815.41	Calculated Property
η	0.0000308	Pa×s	846.76	Calculated Property
η	0.0000260	Pa×s	878.10	Calculated Property
η	0.0000221	Pa×s	909.44	Calculated Property
η	0.0000190	Pa×s	940.79	Calculated Property
η	0.0000166	Pa×s	972.13	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, di(2,4-dichlorophenethyl) 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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