Chemical Properties of 2,4-Difluorobenzoic acid, pentafluorophenyl ester

2,4-Difluorobenzoic acid, pentafluorophenyl ester

InChI
InChI=1S/C13H3F7O2/c14-4-1-2-5(6(15)3-4)13(21)22-12-10(19)8(17)7(16)9(18)11(12)20/h1-3H
InChI Key
ZDBKOPSCVKQWAX-UHFFFAOYSA-N
Formula
C13H3F7O2
SMILES
O=C(Oc1c(F)c(F)c(F)c(F)c1F)c1ccc(F)cc1F
Molecular Weight1
324.15
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
Δfus 39.13 kJ/mol Joback Calculated Property
logPoct/wat 3.880 Crippen Calculated Property
McVol 166.340 ml/mol McGowan Calculated Property
Inp [1454.00; 1454.00]   Show Hide
Inp 1454.00 NIST
Inp 1454.00 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 [415.36; 463.27] J/mol×K [656.24; 843.37] Show Hide
Cp,gas 415.36 J/mol×K 656.24 Joback Calculated Property
Cp,gas 424.66 J/mol×K 687.43 Joback Calculated Property
Cp,gas 433.44 J/mol×K 718.62 Joback Calculated Property
Cp,gas 441.69 J/mol×K 749.81 Joback Calculated Property
Cp,gas 449.41 J/mol×K 780.99 Joback Calculated Property
Cp,gas 456.61 J/mol×K 812.18 Joback Calculated Property
Cp,gas 463.27 J/mol×K 843.37 Joback Calculated Property

Similar Compounds

2-Fluorobenzoic acid, pentafluorophenyl ester. 4-Fluorobenzoic acid, pentafluorophenyl ester. 3-Fluorobenzoic acid, pentafluorophenyl ester. 2,4-Difluorobenzoic acid, 3,5-difluophenyl ester. 3-Chloro-2-fluorobenzoic acid, pentafluorophenyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, pentafluorophenyl ester. 2-Fluorobenzoic acid, 3,5-difluorophenyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, pentafluorophenyl ester. 2,4-Difluorobenzoic acid, phenyl ester. 2,4-Difluorobenzoic acid, 4-methoxyphenyl ester. Benzoic acid, pentafluorophenyl ester. 2,4-Difluorobenzoic acid, 4-cyanophenyl ester. 2,4-Difluorobenzoic acid, 4-chlorophenyl ester. 2,5-Difluorobenzoic acid, 3,5-difluophenyl ester. Terephthalic acid, methyl 2,3,4-trifluorophenyl ester.

Find more compounds similar to 2,4-Difluorobenzoic acid, pentafluorophenyl 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.