Chemical Properties of 3,4-Difluorobenzoic acid, 2-pentyl ester

3,4-Difluorobenzoic acid, 2-pentyl ester

InChI
InChI=1S/C12H14F2O2/c1-3-4-8(2)16-12(15)9-5-6-10(13)11(14)7-9/h5-8H,3-4H2,1-2H3
InChI Key
PRTUHHWGVRTNKG-UHFFFAOYSA-N
Formula
C12H14F2O2
SMILES
CCCC(C)OC(=O)c1ccc(F)c(F)c1
Molecular Weight1
228.24
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° 27.11 kJ/mol Joback Calculated Property
logPoct/wat 3.310 Crippen Calculated Property
McVol 167.160 ml/mol McGowan Calculated Property
Inp 1352.00 NIST
Tboil 507.29 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, 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 [405.44; 478.39] J/mol×K [567.12; 758.18] Show Hide
Cp,gas 405.44 J/mol×K 567.12 Joback Calculated Property
Cp,gas 419.37 J/mol×K 598.96 Joback Calculated Property
Cp,gas 432.58 J/mol×K 630.81 Joback Calculated Property
Cp,gas 445.07 J/mol×K 662.65 Joback Calculated Property
Cp,gas 456.86 J/mol×K 694.49 Joback Calculated Property
Cp,gas 467.96 J/mol×K 726.33 Joback Calculated Property
Cp,gas 478.39 J/mol×K 758.18 Joback Calculated Property

Similar Compounds

3,4-Difluorobenzoic acid, 2-tridecyl ester. 3,4-Difluorobenzoic acid, 2-pentadecyl ester. 3,4-Difluorobenzoic acid, 2-dodecyl ester. 3,4-Difluorobenzoic acid, 2-tetradecyl ester. 3,4-Difluorobenzoic acid, 5-dodecyl ester. 3,4-Difluorobenzoic acid, 6-pentadecyl ester. 3,4-Difluorobenzoic acid, 4-dodecyl ester. 3,4-Difluorobenzoic acid, 5-tridecyl ester. 3,4-Difluorobenzoic acid, 7-tridecyl ester. 3,4-Difluorobenzoic acid, 7-tetradecyl ester. 3,4-Difluorobenzoic acid, 5-pentadecyl ester. 3,4-Difluorobenzoic acid, 5-tetradecyl ester. 3,4-Difluorobenzoic acid, 6-tetradecyl ester. 3,4-Difluorobenzoic acid, 4-hexadecyl ester. 3,4-Difluorobenzoic acid, 4-tridecyl ester.

Find more compounds similar to 3,4-Difluorobenzoic acid, 2-pentyl 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.