Chemical Properties of Fumaric acid, 4-chlorobenzyl 2-fluorophenyl ester

Fumaric acid, 4-chlorobenzyl 2-fluorophenyl ester

InChI
InChI=1S/C17H12ClFO4/c18-13-7-5-12(6-8-13)11-22-16(20)9-10-17(21)23-15-4-2-1-3-14(15)19/h1-10H,11H2/b10-9+
InChI Key
UULFQARRZLKFJE-MDZDMXLPSA-N
Formula
C17H12ClFO4
SMILES
O=C(C=CC(=O)Oc1ccccc1F)OCc1ccc(Cl)cc1
Molecular Weight1
334.73
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° 40.14 kJ/mol Joback Calculated Property
logPoct/wat 3.684 Crippen Calculated Property
McVol 227.460 ml/mol McGowan Calculated Property
Inp [2469.00; 2469.00]   Show Hide
Inp 2469.00 NIST
Inp 2469.00 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [614.60; 666.77] J/mol×K [845.12; 1079.30] Show Hide
Cp,gas 614.60 J/mol×K 845.12 Joback Calculated Property
Cp,gas 625.85 J/mol×K 884.15 Joback Calculated Property
Cp,gas 636.02 J/mol×K 923.18 Joback Calculated Property
Cp,gas 645.15 J/mol×K 962.21 Joback Calculated Property
Cp,gas 653.29 J/mol×K 1001.24 Joback Calculated Property
Cp,gas 660.48 J/mol×K 1040.27 Joback Calculated Property
Cp,gas 666.77 J/mol×K 1079.30 Joback Calculated Property

Similar Compounds

Fumaric acid, 4-chlorobenzyl 2-chloro-6-fluorophenyl ester. Fumaric acid, 4-chlorobenzyl 3-chlorophenyl ester. Fumaric acid, 4-chlorophenyl naphth-2-ylmethyl ester. Fumaric acid, 3-chlorophenyl naphth-2-ylmethyl ester. Glutaric acid, 2-fluorophenyl 4-chlorobenzyl ester. Succinic acid, 2-fluorophenyl 4-chlorobenzyl ester. Fumaric acid, 2,4-dichlorophenyl naphth-2-ylmethyl ester. Fumaric acid, naphth-2-yl naphth-2-ylmethyl ester. Fumaric acid, 4-chlorobenzyl 2,4,6-trichlorophenyl ester. Fumaric acid, 2-methylphenyl naphth-2-ylmethyl ester. Fumaric acid, 4-methoxyphenyl naphth-2-ylmethyl ester. Fumaric acid, 1-phenylprop-1-yl 2-fluorophenyl ester. Glutaric acid, 2-fluorophenyl (2-naphthyl)methyl ester. Fumaric acid, 2,6-dichlorophenyl naphth-2-ylmethyl ester. Glutaric acid, 2-chloro-6-fluorophenyl 4-chlorobenzyl ester.

Find more compounds similar to Fumaric acid, 4-chlorobenzyl 2-fluorophenyl 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.