Chemical Properties of 2,6-Difluorobenzoic acid, 2-chlorophenyl ester

2,6-Difluorobenzoic acid, 2-chlorophenyl ester

InChI
InChI=1S/C13H7ClF2O2/c14-8-4-1-2-7-11(8)18-13(17)12-9(15)5-3-6-10(12)16/h1-7H
InChI Key
RWBRPUPRELOFFT-UHFFFAOYSA-N
Formula
C13H7ClF2O2
SMILES
O=C(Oc1ccccc1Cl)c1c(F)cccc1F
Molecular Weight1
268.64
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° 31.07 kJ/mol Joback Calculated Property
IE 8.75 eV Relay (1.0) Calculated Property
log10WS -5.08 Relay (1.0) Calculated Property
logPoct/wat 3.837 Crippen Calculated Property
McVol 169.730 ml/mol McGowan Calculated Property
Inp 1800.90 NIST
Tboil 566.08 K Relay (1.0) Calculated Property
Tfus 324.40 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 [400.64; 457.65] J/mol×K [659.53; 888.39] Show Hide
Cp,gas 400.64 J/mol×K 659.53 Joback Calculated Property
Cp,gas 412.45 J/mol×K 697.67 Joback Calculated Property
Cp,gas 423.30 J/mol×K 735.82 Joback Calculated Property
Cp,gas 433.22 J/mol×K 773.96 Joback Calculated Property
Cp,gas 442.23 J/mol×K 812.10 Joback Calculated Property
Cp,gas 450.37 J/mol×K 850.25 Joback Calculated Property
Cp,gas 457.65 J/mol×K 888.39 Joback Calculated Property

Similar Compounds

2-Fluorobenzoic acid, 2-chlorophenyl ester. 2,6-Difluorobenzoic acid, 4-chlorophenyl ester. 2,6-Difluorobenzoic acid, 3,4-dichlorophenyl ester. 2,6-Difluorobenzoic acid, phenyl ester. 3-Fluorobenzoic acid, 2-chlorophenyl ester. 2-Fluorobenzoic acid, 2,4,5-trichlorophenyl ester. 2,6-Difluorobenzoic acid, 2-naphthyl ester. 2,6-Difluorobenzoic acid, 4-methoxyphenyl ester. 2,6-Difluoro-3-methylbenzoic acid, 2,3-dichlorophenyl ester. 3-Chloro-2-fluorobenzoic acid, 2,3-dichlorophenyl ester. 2,4-Difluorobenzoic acid, 2,4,5-trichlorophenyl ester. 2-Fluorobenzoic acid, 3,4-dichlorophenyl ester. 2,6-Difluorobenzoic acid, 4-cyanophenyl ester. 2,5-Difluorobenzoic acid, 3,4-dichlorophenyl ester. 2-Fluorobenzoic acid, 4-chlorophenyl ester.

Find more compounds similar to 2,6-Difluorobenzoic acid, 2-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.