Chemical Properties of 2,5-Difluorobenzoic acid, 2-pentyl ester

2,5-Difluorobenzoic acid, 2-pentyl ester

InChI
InChI=1S/C12H14F2O2/c1-3-4-8(2)16-12(15)10-7-9(13)5-6-11(10)14/h5-8H,3-4H2,1-2H3
InChI Key
UBXFMWVPPLDVAC-UHFFFAOYSA-N
Formula
C12H14F2O2
SMILES
CCCC(C)OC(=O)c1cc(F)ccc1F
Molecular Weight1
228.24
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Physical Properties

Property Value Unit Source
ΔfusH° 25.52 kJ/mol Joback Calculated Property
logPoct/wat 3.310 Crippen Calculated Property
McVol 167.160 ml/mol McGowan Calculated Property
Inp 1388.00 NIST
Tboil 509.43 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 [410.17; 481.88] J/mol×K [584.99; 778.46] Show Hide
Cp,gas 410.17 J/mol×K 584.99 Joback Calculated Property
Cp,gas 423.81 J/mol×K 617.23 Joback Calculated Property
Cp,gas 436.76 J/mol×K 649.48 Joback Calculated Property
Cp,gas 449.03 J/mol×K 681.72 Joback Calculated Property
Cp,gas 460.64 J/mol×K 713.97 Joback Calculated Property
Cp,gas 471.58 J/mol×K 746.21 Joback Calculated Property
Cp,gas 481.88 J/mol×K 778.46 Joback Calculated Property

Similar Compounds

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

Find more compounds similar to 2,5-Difluorobenzoic acid, 2-pentyl ester.

Sources

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