Chemical Properties of Sebacic acid, di(4-chloro-3-methylphenyl) ester

InChI

InChI=1S/C24H28Cl2O4/c1-17-15-19(11-13-21(17)25)29-23(27)9-7-5-3-4-6-8-10-24(28)30-20-12-14-22(26)18(2)16-20/h11-16H,3-10H2,1-2H3

InChI Key

LPWFMYQFDIUDEA-UHFFFAOYSA-N

Formula

C24H28Cl2O4

SMILES

Cc1cc(OC(=O)CCCCCCCCC(=O)Oc2ccc(Cl)c(C)c2)ccc1Cl

Molecular Weight¹

451.39

• 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).
• 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, 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	[469.79; 1041.06]	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			4.70580e+01
Coefficient B			1.79204e+00
Coefficient C			-9.27640e-04
Coefficient D			1.29600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	469.79	J/mol×K	273.00	Calculated Property
Cp,gas	570.68	J/mol×K	353.78	Calculated Property
Cp,gas	661.26	J/mol×K	434.56	Calculated Property
Cp,gas	741.94	J/mol×K	515.33	Calculated Property
Cp,gas	813.13	J/mol×K	596.11	Calculated Property
Cp,gas	875.24	J/mol×K	676.89	Calculated Property
Cp,gas	928.68	J/mol×K	757.67	Calculated Property
Cp,gas	973.85	J/mol×K	838.44	Calculated Property
Cp,gas	1011.18	J/mol×K	919.22	Calculated Property
Cp,gas	1041.06	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001896; 0.0000323]	Pa×s	[607.66; 871.16]	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			-1.44197e+01
Coefficient B			3.55416e+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.			607.66
Temperature range, max.			871.16
η	0.0001896	Pa×s	607.66	Calculated Property
η	0.0001449	Pa×s	636.94	Calculated Property
η	0.0001134	Pa×s	666.22	Calculated Property
η	0.0000906	Pa×s	695.49	Calculated Property
η	0.0000737	Pa×s	724.77	Calculated Property
η	0.0000609	Pa×s	754.05	Calculated Property
η	0.0000511	Pa×s	783.33	Calculated Property
η	0.0000434	Pa×s	812.60	Calculated Property
η	0.0000372	Pa×s	841.88	Calculated Property
η	0.0000323	Pa×s	871.16	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, di(4-chloro-3-methylphenyl) 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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