Chemical Properties of Fumaric acid, di(2,3,4,6-tetrachlorophenyl) ester

InChI

InChI=1S/C16H4Cl8O4/c17-5-3-7(19)15(13(23)11(5)21)27-9(25)1-2-10(26)28-16-8(20)4-6(18)12(22)14(16)24/h1-4H/b2-1+

InChI Key

XXEKWCKUIYKCMN-OWOJBTEDSA-N

Formula

C16H4Cl8O4

SMILES

O=C(C=CC(=O)Oc1c(Cl)cc(Cl)c(Cl)c1Cl)Oc1c(Cl)cc(Cl)c(Cl)c1Cl

Molecular Weight¹

543.83

• 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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	[376.70; 635.21]	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			1.74690e+02
Coefficient B			8.54800e-01
Coefficient C			-4.30480e-04
Coefficient D			3.62000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	376.70	J/mol×K	273.00	Calculated Property
Cp,gas	424.82	J/mol×K	353.78	Calculated Property
Cp,gas	467.83	J/mol×K	434.56	Calculated Property
Cp,gas	505.83	J/mol×K	515.33	Calculated Property
Cp,gas	538.94	J/mol×K	596.11	Calculated Property
Cp,gas	567.28	J/mol×K	676.89	Calculated Property
Cp,gas	590.97	J/mol×K	757.67	Calculated Property
Cp,gas	610.11	J/mol×K	838.44	Calculated Property
Cp,gas	624.82	J/mol×K	919.22	Calculated Property
Cp,gas	635.21	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000948; 0.0000341]	Pa×s	[742.02; 940.42]	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			-1.41154e+01
Coefficient B			3.60000e+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.			742.02
Temperature range, max.			940.42
η	0.0000948	Pa×s	742.02	Calculated Property
η	0.0000824	Pa×s	764.06	Calculated Property
η	0.0000722	Pa×s	786.11	Calculated Property
η	0.0000637	Pa×s	808.15	Calculated Property
η	0.0000566	Pa×s	830.20	Calculated Property
η	0.0000506	Pa×s	852.24	Calculated Property
η	0.0000455	Pa×s	874.29	Calculated Property
η	0.0000411	Pa×s	896.33	Calculated Property
η	0.0000373	Pa×s	918.37	Calculated Property
η	0.0000341	Pa×s	940.42	Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, di(2,3,4,6-tetrachlorophenyl) 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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