Chemical Properties of Fumaric acid, nonyl 2,3,4,6-tetrachlorophenyl ester

InChI

InChI=1S/C19H22Cl4O4/c1-2-3-4-5-6-7-8-11-26-15(24)9-10-16(25)27-19-14(21)12-13(20)17(22)18(19)23/h9-10,12H,2-8,11H2,1H3/b10-9+

InChI Key

HXFNNNWNGSGHRR-MDZDMXLPSA-N

Formula

C19H22Cl4O4

SMILES

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

Molecular Weight¹

456.19

• 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).
• 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, 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	[433.78; 887.59]	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			9.71080e+01
Coefficient B			1.42952e+00
Coefficient C			-7.49040e-04
Coefficient D			1.10000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	433.78	J/mol×K	273.00	Calculated Property
Cp,gas	513.96	J/mol×K	353.78	Calculated Property
Cp,gas	585.89	J/mol×K	434.56	Calculated Property
Cp,gas	649.92	J/mol×K	515.33	Calculated Property
Cp,gas	706.39	J/mol×K	596.11	Calculated Property
Cp,gas	755.66	J/mol×K	676.89	Calculated Property
Cp,gas	798.06	J/mol×K	757.67	Calculated Property
Cp,gas	833.95	J/mol×K	838.44	Calculated Property
Cp,gas	863.68	J/mol×K	919.22	Calculated Property
Cp,gas	887.59	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002266; 0.0000411]	Pa×s	[579.65; 820.64]	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			-1.42041e+01
Coefficient B			3.36882e+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.			579.65
Temperature range, max.			820.64
η	0.0002266	Pa×s	579.65	Calculated Property
η	0.0001753	Pa×s	606.43	Calculated Property
η	0.0001386	Pa×s	633.20	Calculated Property
η	0.0001117	Pa×s	659.98	Calculated Property
η	0.0000915	Pa×s	686.76	Calculated Property
η	0.0000762	Pa×s	713.53	Calculated Property
η	0.0000642	Pa×s	740.31	Calculated Property
η	0.0000548	Pa×s	767.08	Calculated Property
η	0.0000472	Pa×s	793.86	Calculated Property
η	0.0000411	Pa×s	820.64	Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, nonyl 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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