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

InChI

InChI=1S/C20H24Cl4O4/c1-2-3-4-5-6-7-8-9-12-27-16(25)10-11-17(26)28-20-15(22)13-14(21)18(23)19(20)24/h10-11,13H,2-9,12H2,1H3

InChI Key

XGVVNHSYZDSMHW-ZHACJKMWSA-N

Formula

C20H24Cl4O4

SMILES

CCCCCCCCCCOC(=O)/C=C/C(=O)Oc1c(Cl)cc(Cl)c(Cl)c1Cl

Molecular Weight¹

470.22

• 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	[454.99; 939.18]	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			9.61990e+01
Coefficient B			1.52452e+00
Coefficient C			-8.03440e-04
Coefficient D			1.21900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	454.99	J/mol×K	273.00	Calculated Property
Cp,gas	540.38	J/mol×K	353.78	Calculated Property
Cp,gas	616.97	J/mol×K	434.56	Calculated Property
Cp,gas	685.15	J/mol×K	515.33	Calculated Property
Cp,gas	745.30	J/mol×K	596.11	Calculated Property
Cp,gas	797.82	J/mol×K	676.89	Calculated Property
Cp,gas	843.08	J/mol×K	757.67	Calculated Property
Cp,gas	881.46	J/mol×K	838.44	Calculated Property
Cp,gas	913.37	J/mol×K	919.22	Calculated Property
Cp,gas	939.18	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002009; 0.0000357]	Pa×s	[590.92; 837.88]	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			-1.43728e+01
Coefficient B			3.46298e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			590.92
Temperature range, max.			837.88
η	0.0002009	Pa×s	590.92	Calculated Property
η	0.0001549	Pa×s	618.36	Calculated Property
η	0.0001221	Pa×s	645.80	Calculated Property
η	0.0000981	Pa×s	673.24	Calculated Property
η	0.0000802	Pa×s	700.68	Calculated Property
η	0.0000666	Pa×s	728.12	Calculated Property
η	0.0000560	Pa×s	755.56	Calculated Property
η	0.0000477	Pa×s	783.00	Calculated Property
η	0.0000411	Pa×s	810.44	Calculated Property
η	0.0000357	Pa×s	837.88	Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, decyl 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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