Chemical Properties of 2-Fluoro-3-trifluoromethylbenzoic acid, 3,5-dimethylphenyl ester

2-Fluoro-3-trifluoromethylbenzoic acid, 3,5-dimethylphenyl ester

InChI
InChI=1S/C16H12F4O2/c1-9-6-10(2)8-11(7-9)22-15(21)12-4-3-5-13(14(12)17)16(18,19)20/h3-8H,1-2H3
InChI Key
IJKAZHYWLJDYLI-UHFFFAOYSA-N
Formula
C16H12F4O2
SMILES
Cc1cc(C)cc(OC(=O)c2cccc(C(F)(F)F)c2F)c1
Molecular Weight1
312.26
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Physical Properties

Property Value Unit Source
ΔfusH° 33.00 kJ/mol Joback Calculated Property
logPoct/wat 4.681 Crippen Calculated Property
McVol 203.300 ml/mol McGowan Calculated Property
Inp 1871.00 NIST

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [288.26; 633.43] 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 A3.03000e+00
Coefficient B1.24624e+00
Coefficient C-7.83640e-04
Coefficient D1.67800e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 288.26 J/mol×K 273.00 Calculated Property
Cp,gas 353.27 J/mol×K 353.78 Calculated Property
Cp,gas 410.38 J/mol×K 434.56 Calculated Property
Cp,gas 460.11 J/mol×K 515.33 Calculated Property
Cp,gas 503.01 J/mol×K 596.11 Calculated Property
Cp,gas 539.59 J/mol×K 676.89 Calculated Property
Cp,gas 570.39 J/mol×K 757.67 Calculated Property
Cp,gas 595.95 J/mol×K 838.44 Calculated Property
Cp,gas 616.78 J/mol×K 919.22 Calculated Property
Cp,gas 633.43 J/mol×K 1000.00 Calculated Property

Similar Compounds

2-Fluoro-3-trifluoromethylbenzoic acid, 3-methylphenyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 3,5-dimethylphenyl ester. 2-Fluoro-3-trifluoromethylbenzoic acid, phenyl ester. 2-Fluorobenzoic acid, 3,5-dimethylphenyl ester. 2-Fluoro-3-trifluoromethylbenzoic acid, 4-benzyloxyphenyl ester. 3-Trifluoromethylbenzoic acid, 3,5-dimethylphenyl ester. 6-Fluoro-3-trifluoromethylbenzoic acid, 3,4-dimethylphenyl ester. 2-Fluoro-3-trifluoromethylbenzoic acid, 3,5-difluophenyl ester. 2-Fluoro-3-trifluoromethylbenzoic acid, 4-cyanophenyl ester. 2-Fluoro-3-trifluoromethylbenzoic acid, 4-methoxyphenyl ester. 2-Fluoro-3-trifluoromethylbenzoic acid, 4-chlorophenyl ester. 2,4-Difluorobenzoic acid, 3,5-dimethylphenyl ester. 2,6-Difluoro-3-methylbenzoic acid, 3,5-dimethylphenyl ester. 3-Chloro-2-fluorobenzoic acid, 3,5-dimethylphenyl ester. 3-Fluoro-5-trifluoromethylbenzoic acid, 3,5-dimethylphenyl ester.

Find more compounds similar to 2-Fluoro-3-trifluoromethylbenzoic acid, 3,5-dimethylphenyl ester.

Sources

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