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

2,5-Difluorobenzoic acid, 2-ethylhexyl ester

InChI
InChI=1S/C15H20F2O2/c1-3-5-6-11(4-2)10-19-15(18)13-9-12(16)7-8-14(13)17/h7-9,11H,3-6,10H2,1-2H3
InChI Key
WTUIPCHOXRRUJE-UHFFFAOYSA-N
Formula
C15H20F2O2
SMILES
CCCCC(CC)COC(=O)c1cc(F)ccc1F
Molecular Weight1
270.31
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° 34.88 kJ/mol Joback Calculated Property
log10WS -5.62 Relay (1.0) Calculated Property
logPoct/wat 4.338 Crippen Calculated Property
McVol 209.430 ml/mol McGowan Calculated Property
Pc 1687.95 kPa Joback Calculated Property
Inp [1704.00; 1704.00]   Show Hide
Inp 1704.00 NIST
Inp 1704.00 NIST
Tboil 564.76 K Relay (1.0) Calculated Property
Tfus 220.76 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [303.95; 691.38] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A1.98550e+01
Coefficient B1.20564e+00
Coefficient C-6.30720e-04
Coefficient D9.66000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 303.95 J/mol×K 273.00 Calculated Property
Cp,gas 371.72 J/mol×K 353.78 Calculated Property
Cp,gas 432.60 J/mol×K 434.56 Calculated Property
Cp,gas 486.88 J/mol×K 515.33 Calculated Property
Cp,gas 534.89 J/mol×K 596.11 Calculated Property
Cp,gas 576.92 J/mol×K 676.89 Calculated Property
Cp,gas 613.27 J/mol×K 757.67 Calculated Property
Cp,gas 644.27 J/mol×K 838.44 Calculated Property
Cp,gas 670.20 J/mol×K 919.22 Calculated Property
Cp,gas 691.38 J/mol×K 1000.00 Calculated Property

Similar Compounds

2,5-Difluorobenzoic acid, cyclohexylmethyl ester. 2,4-Difluorobenzoic acid, 2-ethylhexyl ester. 2-Fluorobenzoic acid, 2-methylpentyl ester. 2,5-Difluorobenzoic acid, isohexyl ester. 2,4-Difluorobenzoic acid, cyclohexylmethyl ester. 3,4-Difluorobenzoic acid, 2-ethylhexyl ester. 3-Fluorobenzoic acid, 2-methylpentyl ester. 2,4-Difluorobenzoic acid, 2-methylpentyl ester. 3,4-Difluorobenzoic acid, cyclohexylmethyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 2-ethylhexyl ester. 3-Chloro-2-fluorobenzoic acid, 2-ethylhexyl ester. 2,5-Difluorobenzoic acid, heptyl ester. 2-Fluoro-3-trifluoromethylbenzoic acid, 2-ethylhexyl ester. 2,5-Difluorobenzoic acid, pentadecyl ester. 2,5-Difluorobenzoic acid, undecyl ester.

Find more compounds similar to 2,5-Difluorobenzoic acid, 2-ethylhexyl 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.