Chemical Properties of 2,6-Difluoro-3-methylbenzoic acid, 4-methoxyphenyl ester

2,6-Difluoro-3-methylbenzoic acid, 4-methoxyphenyl ester

InChI
InChI=1S/C15H12F2O3/c1-9-3-8-12(16)13(14(9)17)15(18)20-11-6-4-10(19-2)5-7-11/h3-8H,1-2H3
InChI Key
UNVDFUZGQSCMBI-UHFFFAOYSA-N
Formula
C15H12F2O3
SMILES
COc1ccc(OC(=O)c2c(F)ccc(C)c2F)cc1
Molecular Weight1
278.25
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° 32.85 kJ/mol Joback Calculated Property
IE 8.01 eV Relay (1.0) Calculated Property
logPoct/wat 3.501 Crippen Calculated Property
McVol 191.540 ml/mol McGowan Calculated Property
Inp 2064.00 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, 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [267.52; 584.73] 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 A4.17300e+01
Coefficient B9.38640e-01
Coefficient C-4.13640e-04
Coefficient D1.80000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 267.52 J/mol×K 273.00 Calculated Property
Cp,gas 322.83 J/mol×K 353.78 Calculated Property
Cp,gas 372.99 J/mol×K 434.56 Calculated Property
Cp,gas 418.06 J/mol×K 515.33 Calculated Property
Cp,gas 458.09 J/mol×K 596.11 Calculated Property
Cp,gas 493.15 J/mol×K 676.89 Calculated Property
Cp,gas 523.28 J/mol×K 757.67 Calculated Property
Cp,gas 548.55 J/mol×K 838.44 Calculated Property
Cp,gas 569.02 J/mol×K 919.22 Calculated Property
Cp,gas 584.73 J/mol×K 1000.00 Calculated Property

Similar Compounds

2,6-Difluoro-3-methylbenzoic acid, phenyl ester. 2,6-Difluoro-3-methylbenzoic acid, 3-fluorophenyl ester. 2,6-Difluoro-3-methylbenzoic acid, 4-benzyloxyphenyl ester. 2,6-Difluoro-3-methylbenzoic acid, 4-chlorophenyl ester. 2,6-Difluoro-3-methylbenzoic acid, 3-methylphenyl ester. 2,6-Difluoro-3-methylbenzoic acid, 3,4-dichlorophenyl ester. 2,6-Difluoro-3-methylbenzoic acid, 3,5-difluophenyl ester. 2,6-Difluoro-3-methylbenzoic acid, 3,4-dimethylphenyl ester. 2,6-Difluoro-3-methylbenzoic acid, 4-nitrophenyl ester. 2,6-Difluoro-3-methylbenzoic acid, 3,5-dimethylphenyl ester. 2,6-Difluoro-3-methylbenzoic acid, 4-chloro-2-methylphenyl ester. 2,6-Difluoro-3-methylbenzoic acid, 4-isopropylphenyl ester. 2,6-Difluoro-3-methylbenzoic acid, 2,3-dichlorophenyl ester. 2,6-Difluoro-3-methylbenzoic acid, 2-biphenyl ester. 2,6-Difluorobenzoic acid, 4-benzyloxyphenyl ester.

Find more compounds similar to 2,6-Difluoro-3-methylbenzoic acid, 4-methoxyphenyl 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.