Chemical Properties of Fumaric acid, 2,4,6-trichlorophenyl 2,2-dichloroethyl ester

InChI

InChI=1S/C12H7Cl5O4/c13-6-3-7(14)12(8(15)4-6)21-11(19)2-1-10(18)20-5-9(16)17/h1-4,9H,5H2/b2-1+

InChI Key

DGROYLRWMUMEDY-OWOJBTEDSA-N

Formula

C12H7Cl5O4

SMILES

O=C(C=CC(=O)Oc1c(Cl)cc(Cl)cc1Cl)OCC(Cl)Cl

Molecular Weight¹

392.45

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

Physical Properties

Property	Value	Unit	Source
ΔfusH°	46.11	kJ/mol	Joback Calculated Property
logPoct/wat	4.455		Crippen Calculated Property
McVol	227.960	ml/mol	McGowan Calculated Property
Inp	[2398.00; 2398.00]
Inp	2398.00		NIST
Inp	2398.00		NIST

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, 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	[295.82; 538.30]	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			1.00381e+02
Coefficient B			8.36700e-01
Coefficient C			-4.58880e-04
Coefficient D			6.01000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	295.82	J/mol×K	273.00	Calculated Property
Cp,gas	341.62	J/mol×K	353.78	Calculated Property
Cp,gas	382.25	J/mol×K	434.56	Calculated Property
Cp,gas	417.92	J/mol×K	515.33	Calculated Property
Cp,gas	448.82	J/mol×K	596.11	Calculated Property
Cp,gas	475.12	J/mol×K	676.89	Calculated Property
Cp,gas	497.04	J/mol×K	757.67	Calculated Property
Cp,gas	514.74	J/mol×K	838.44	Calculated Property
Cp,gas	528.44	J/mol×K	919.22	Calculated Property
Cp,gas	538.30	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005102; 0.0000766]	Pa×s	[503.16; 741.36]	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			-1.34836e+01
Coefficient B			2.97010e+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.			503.16
Temperature range, max.			741.36
η	0.0005102	Pa×s	503.16	Calculated Property
η	0.0003799	Pa×s	529.63	Calculated Property
η	0.0002909	Pa×s	556.09	Calculated Property
η	0.0002282	Pa×s	582.56	Calculated Property
η	0.0001829	Pa×s	609.03	Calculated Property
η	0.0001492	Pa×s	635.50	Calculated Property
η	0.0001238	Pa×s	661.96	Calculated Property
η	0.0001042	Pa×s	688.43	Calculated Property
η	0.0000888	Pa×s	714.90	Calculated Property
η	0.0000766	Pa×s	741.36	Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 2,4,6-trichlorophenyl 2,2-dichloroethyl 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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