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

InChI

InChI=1S/C16H8Cl4O4/c17-9-2-1-3-11(6-9)23-14(21)4-5-15(22)24-16-12(19)7-10(18)8-13(16)20/h1-8H/b5-4+

InChI Key

JNMWQRJGKYHHOL-SNAWJCMRSA-N

Formula

C16H8Cl4O4

SMILES

O=C(/C=C/C(=O)Oc1c(Cl)cc(Cl)cc1Cl)Oc1cccc(Cl)c1

Molecular Weight¹

406.05

• 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).
• Δ_vapH° : Enthalpy of vaporization 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	49.45	kJ/mol	Joback Calculated Property
ΔvapH°	121.60	kJ/mol	Relay (1.0) Calculated Property
IE	8.94	eV	Relay (1.0) Calculated Property
log10WS	-7.38		Relay (1.0) Calculated Property
logPoct/wat	5.367		Crippen Calculated Property
McVol	248.320	ml/mol	McGowan Calculated Property
Inp	[2784.00; 2784.00]
Inp	2784.00		NIST
Inp	2784.00		NIST
Tboil	633.09	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation 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	[599.72; 627.55]	J/mol×K	[909.28; 1161.08]
Cp,gas	599.72	J/mol×K	909.28	Joback Calculated Property
Cp,gas	607.14	J/mol×K	951.25	Joback Calculated Property
Cp,gas	613.39	J/mol×K	993.21	Joback Calculated Property
Cp,gas	618.51	J/mol×K	1035.18	Joback Calculated Property
Cp,gas	622.55	J/mol×K	1077.15	Joback Calculated Property
Cp,gas	625.55	J/mol×K	1119.11	Joback Calculated Property
Cp,gas	627.55	J/mol×K	1161.08	Joback Calculated Property
η	[0.0000381; 0.0002870]	Pa×s	[572.26; 909.28]
η	0.0002870	Pa×s	572.26	Joback Calculated Property
η	0.0001763	Pa×s	628.43	Joback Calculated Property
η	0.0001173	Pa×s	684.60	Joback Calculated Property
η	0.0000831	Pa×s	740.77	Joback Calculated Property
η	0.0000617	Pa×s	796.94	Joback Calculated Property
η	0.0000477	Pa×s	853.11	Joback Calculated Property
η	0.0000381	Pa×s	909.28	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 3-chlorophenyl 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.
These property values are available through the Cheméo API. A free account gives you an access key.