Chemical Properties of 6-Fluoro-2-trifluoromethylbenzoic acid, pentafluorobenzyl ester

6-Fluoro-2-trifluoromethylbenzoic acid, pentafluorobenzyl ester

InChI
InChI=1S/C15H5F9O2/c16-7-3-1-2-6(15(22,23)24)8(7)14(25)26-4-5-9(17)11(19)13(21)12(20)10(5)18/h1-3H,4H2
InChI Key
LNTSJUQBLQNSHP-UHFFFAOYSA-N
Formula
C15H5F9O2
SMILES
O=C(OCc1c(F)c(F)c(F)c(F)c1F)c1c(F)cccc1C(F)(F)F
Molecular Weight1
388.18
Other Names
  • 6-Fluoro-2-trifluorobenzoic acid, pentafluorobenzyl ester
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Physical Properties

Property Value Unit Source
ΔfusH° 44.64 kJ/mol Joback Calculated Property
logPoct/wat 4.897 Crippen Calculated Property
McVol 198.060 ml/mol McGowan Calculated Property
Inp [1616.00; 1616.00]   Show Hide
Inp 1616.00 NIST
Inp 1616.00 NIST

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [315.70; 608.07] 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 A7.72910e+01
Coefficient B1.03170e+00
Coefficient C-6.10120e-04
Coefficient D1.09200e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 315.70 J/mol×K 273.00 Calculated Property
Cp,gas 370.76 J/mol×K 353.78 Calculated Property
Cp,gas 419.37 J/mol×K 434.56 Calculated Property
Cp,gas 461.88 J/mol×K 515.33 Calculated Property
Cp,gas 498.63 J/mol×K 596.11 Calculated Property
Cp,gas 529.96 J/mol×K 676.89 Calculated Property
Cp,gas 556.23 J/mol×K 757.67 Calculated Property
Cp,gas 577.77 J/mol×K 838.44 Calculated Property
Cp,gas 594.94 J/mol×K 919.22 Calculated Property
Cp,gas 608.07 J/mol×K 1000.00 Calculated Property

Similar Compounds

4-Fluoro-2-trifluoromethylbenzoic acid, pentafluorobenzyl ester. 2,5-Di(trifluoromethyl)benzoic acid, pentafluorobenzyl ester. 6-Fluoro-3-trifluoromethylbenzoic acid, pentafluorobenzyl ester. Terephthalic acid, di(2-fluoro-6-(trifluoromethyl)benzyl) ester. 2,6-Difluoro-3-methylbenzoic acid, pentafluorobenzyl ester. 4-(Methylthio)benzoic acid, 2-fluoro-6-(trifluoromethyl)benzyl ester. 6-Fluoro-2-trifluoromethylbenzoic acid, ethyl ester. 3-Methoxybenzoic acid, 2-fluoro-6-(trifluoromethyl)benzyl ester. 2-(Methylthio)benzoic acid, 2-fluoro-6-(trifluoromethyl)benzyl ester. Terephthalic acid, 2-fluoro-6-(trifluoromethyl)benzyl propyl ester. Terephthalic acid, 2-fluoro-6-(trifluoromethyl)benzyl isobutyl ester. Phthalic acid, di(2,3,4,5-tetrafluorobenzyl) ester. 2-Fluoro-6-trifluoromethylbenzoic acid, cyclohexylmethyl ester. 6-Fluoro-2-trifluoromethylbenzoic acid, 2-methoxyethyl ester. Phthalic acid, ethyl 2,3,4,5-tetrafluorobenzyl ester.

Find more compounds similar to 6-Fluoro-2-trifluoromethylbenzoic acid, pentafluorobenzyl ester.

Sources

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