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

InChI

InChI=1S/C16H7Cl5O4/c17-8-1-2-13(10(19)5-8)24-14(22)3-4-15(23)25-16-11(20)6-9(18)7-12(16)21/h1-7H/b4-3+

InChI Key

LMDUOJOQINADIB-ONEGZZNKSA-N

Formula

C16H7Cl5O4

SMILES

O=C(C=CC(=O)Oc1c(Cl)cc(Cl)cc1Cl)Oc1ccc(Cl)cc1Cl

Molecular Weight¹

440.49

• 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).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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

Property	Value	Unit	Source
ΔfusH°	50.09	kJ/mol	Joback Calculated Property
IE	8.88	eV	Relay (1.0) Calculated Property
log10WS	-7.65		Relay (1.0) Calculated Property
logPoct/wat	6.021		Crippen Calculated Property
McVol	260.560	ml/mol	McGowan Calculated Property
Inp	[2974.00; 2974.00]
Inp	2974.00		NIST
Inp	2974.00		NIST
Tboil	628.17	K	Relay (1.0) Calculated Property
Tfus	369.02	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[616.43; 639.02]	J/mol×K	[987.63; 1245.05]
Cp,gas	616.43	J/mol×K	987.63	Joback Calculated Property
Cp,gas	622.68	J/mol×K	1030.53	Joback Calculated Property
Cp,gas	627.90	J/mol×K	1073.44	Joback Calculated Property
Cp,gas	632.10	J/mol×K	1116.34	Joback Calculated Property
Cp,gas	635.34	J/mol×K	1159.24	Joback Calculated Property
Cp,gas	637.63	J/mol×K	1202.15	Joback Calculated Property
Cp,gas	639.02	J/mol×K	1245.05	Joback Calculated Property
η	[0.0000441; 0.0001984]	Pa×s	[674.36; 987.63]
η	0.0001984	Pa×s	674.36	Joback Calculated Property
η	0.0001411	Pa×s	726.57	Joback Calculated Property
η	0.0001051	Pa×s	778.78	Joback Calculated Property
η	0.0000812	Pa×s	831.00	Joback Calculated Property
η	0.0000647	Pa×s	883.21	Joback Calculated Property
η	0.0000528	Pa×s	935.42	Joback Calculated Property
η	0.0000441	Pa×s	987.63	Joback Calculated Property

Similar Compounds

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