Chemical Properties of Fumaric acid, di(2,2,2-trichloroethyl) ester

InChI

InChI=1S/C8H6Cl6O4/c9-7(10,11)3-17-5(15)1-2-6(16)18-4-8(12,13)14/h1-2H,3-4H2/b2-1+

InChI Key

WFTACGQPAJJUOO-OWOJBTEDSA-N

Formula

C8H6Cl6O4

SMILES

O=C(C=CC(=O)OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl

Molecular Weight¹

378.85

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

Physical Properties

Cheméo can also estimate 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, 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	[271.37; 470.25]	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			6.06520e+01
Coefficient B			9.66600e-01
Coefficient C			-7.72000e-04
Coefficient D			2.15000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	271.37	J/mol×K	273.00	Calculated Property
Cp,gas	315.51	J/mol×K	353.78	Calculated Property
Cp,gas	352.55	J/mol×K	434.56	Calculated Property
Cp,gas	383.18	J/mol×K	515.33	Calculated Property
Cp,gas	408.07	J/mol×K	596.11	Calculated Property
Cp,gas	427.90	J/mol×K	676.89	Calculated Property
Cp,gas	443.35	J/mol×K	757.67	Calculated Property
Cp,gas	455.11	J/mol×K	838.44	Calculated Property
Cp,gas	463.85	J/mol×K	919.22	Calculated Property
Cp,gas	470.25	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010594; 0.0000857]	Pa×s	[443.86; 667.80]	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			-1.43489e+01
Coefficient B			3.32840e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			443.86
Temperature range, max.			667.80
η	0.0010594	Pa×s	443.86	Calculated Property
η	0.0007115	Pa×s	468.74	Calculated Property
η	0.0004974	Pa×s	493.62	Calculated Property
η	0.0003599	Pa×s	518.51	Calculated Property
η	0.0002682	Pa×s	543.39	Calculated Property
η	0.0002051	Pa×s	568.27	Calculated Property
η	0.0001605	Pa×s	593.15	Calculated Property
η	0.0001280	Pa×s	618.04	Calculated Property
η	0.0001039	Pa×s	642.92	Calculated Property
η	0.0000857	Pa×s	667.80	Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, di(2,2,2-trichloroethyl) 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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