Chemical Properties of Fumaric acid, pentafluorobenzyl 3-chlorophenyl ester

Fumaric acid, pentafluorobenzyl 3-chlorophenyl ester

InChI
InChI=1S/C17H8ClF5O4/c18-8-2-1-3-9(6-8)27-12(25)5-4-11(24)26-7-10-13(19)15(21)17(23)16(22)14(10)20/h1-6H,7H2/b5-4+
InChI Key
YWGFYOJDDQSAEK-SNAWJCMRSA-N
Formula
C17H8ClF5O4
SMILES
O=C(C=CC(=O)Oc1cccc(Cl)c1)OCc1c(F)c(F)c(F)c(F)c1F
Molecular Weight1
406.69
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ΔfusH° 54.07 kJ/mol Joback Calculated Property
IE 9.25 eV Relay (1.0) Calculated Property
logPoct/wat 4.240 Crippen Calculated Property
McVol 234.540 ml/mol McGowan Calculated Property
Inp [2299.00; 2299.00]   Show Hide
Inp 2299.00 NIST
Inp 2299.00 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, 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [632.33; 674.89] J/mol×K [826.18; 1032.31] Show Hide
Cp,gas 632.33 J/mol×K 826.18 Joback Calculated Property
Cp,gas 641.70 J/mol×K 860.54 Joback Calculated Property
Cp,gas 650.15 J/mol×K 894.89 Joback Calculated Property
Cp,gas 657.67 J/mol×K 929.25 Joback Calculated Property
Cp,gas 664.29 J/mol×K 963.60 Joback Calculated Property
Cp,gas 670.03 J/mol×K 997.96 Joback Calculated Property
Cp,gas 674.89 J/mol×K 1032.31 Joback Calculated Property

Similar Compounds

Fumaric acid, pentafluorobenzyl 2,3-dichlorophenyl ester. Fumaric acid, pentafluorobenzyl 4-chloro-3-methylphenyl ester. Fumaric acid, pentafluorobenzyl 2,4,6-trichlorophenyl ester. Fumaric acid, pentafluorobenzyl 2-chloro-6-fluorophenyl ester. Glutaric acid, 3-chlorophenyl pentafluorobenzyl ester. Fumaric acid, 4-chlorobenzyl 3-chlorophenyl ester. Succinic acid, 3-chlorophenyl pentafluorobenzyl ester. Fumaric acid, 3-chlorophenyl naphth-2-ylmethyl ester. Glutaric acid, 2,3-dichlorophenyl pentafluorobenzyl ester. Succinic acid, 2,3-dichlorophenyl pentafluorobenzyl ester. Fumaric acid, 2,4-dichlorophenyl naphth-2-ylmethyl ester. Succinic acid, 2-chlorophenyl pentafluorobenzyl ester. Fumaric acid, 4-chlorophenyl naphth-2-ylmethyl ester. 2,4-DB, PFB. Succinic acid, 4-chloro-3-methylphenyl pentafluorobenzyl ester.

Find more compounds similar to Fumaric acid, pentafluorobenzyl 3-chlorophenyl ester.

Sources

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.