Chemical Properties of Fumaric acid, 2,4,6-trichlorophenyl 4-chloro-3-methylphenyl ester

InChI

InChI=1S/C17H10Cl4O4/c1-9-6-11(2-3-12(9)19)24-15(22)4-5-16(23)25-17-13(20)7-10(18)8-14(17)21/h2-8H,1H3/b5-4+

InChI Key

OCWKLDKQHHBYFU-SNAWJCMRSA-N

Formula

C17H10Cl4O4

SMILES

Cc1cc(OC(=O)C=CC(=O)Oc2c(Cl)cc(Cl)cc2Cl)ccc1Cl

Molecular Weight¹

420.07

• 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°	51.65	kJ/mol	Joback Calculated Property
logPoct/wat	5.676		Crippen Calculated Property
McVol	262.410	ml/mol	McGowan Calculated Property
Inp	[2914.00; 2914.00]
Inp	2914.00		NIST
Inp	2914.00		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	[336.65; 662.84]	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			7.93200e+01
Coefficient B			1.10112e+00
Coefficient C			-6.04400e-04
Coefficient D			8.68000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	336.65	J/mol×K	273.00	Calculated Property
Cp,gas	397.07	J/mol×K	353.78	Calculated Property
Cp,gas	450.81	J/mol×K	434.56	Calculated Property
Cp,gas	498.13	J/mol×K	515.33	Calculated Property
Cp,gas	539.32	J/mol×K	596.11	Calculated Property
Cp,gas	574.65	J/mol×K	676.89	Calculated Property
Cp,gas	604.39	J/mol×K	757.67	Calculated Property
Cp,gas	628.82	J/mol×K	838.44	Calculated Property
Cp,gas	648.21	J/mol×K	919.22	Calculated Property
Cp,gas	662.84	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002311; 0.0000517]	Pa×s	[596.05; 830.23]	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			-1.36786e+01
Coefficient B			3.16266e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			596.05
Temperature range, max.			830.23
η	0.0002311	Pa×s	596.05	Calculated Property
η	0.0001851	Pa×s	622.07	Calculated Property
η	0.0001509	Pa×s	648.09	Calculated Property
η	0.0001250	Pa×s	674.11	Calculated Property
η	0.0001050	Pa×s	700.13	Calculated Property
η	0.0000893	Pa×s	726.15	Calculated Property
η	0.0000768	Pa×s	752.17	Calculated Property
η	0.0000668	Pa×s	778.19	Calculated Property
η	0.0000585	Pa×s	804.21	Calculated Property
η	0.0000517	Pa×s	830.23	Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 2,4,6-trichlorophenyl 4-chloro-3-methylphenyl 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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