Chemical Properties of 6-Fluoro-3-trifluoromethylbenzoic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester

6-Fluoro-3-trifluoromethylbenzoic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester

InChI
InChI=1S/C12H5F11O2/c13-7-2-1-5(10(16,17)18)3-6(7)8(24)25-4-9(14,15)11(19,20)12(21,22)23/h1-3H,4H2
InChI Key
MQBWFTDGYPDTGS-UHFFFAOYSA-N
Formula
C12H5F11O2
SMILES
O=C(OCC(F)(F)C(F)(F)C(F)(F)F)c1cc(C(F)(F)F)ccc1F
Molecular Weight1
390.15
Other Names
  • 6-Fluoro-3-trifluorobenzoic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester
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Physical Properties

Property Value Unit Source
ΔfusH° 28.69 kJ/mol Joback Calculated Property
logPoct/wat 4.834 Crippen Calculated Property
McVol 183.090 ml/mol McGowan Calculated Property
Inp [1125.00; 1125.00]   Show Hide
Inp 1125.00 NIST
Inp 1125.00 NIST

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [308.57; 605.57] 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 A-1.88090e+01
Coefficient B1.52410e+00
Coefficient C-1.29912e-03
Coefficient D3.99400e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 308.57 J/mol×K 273.00 Calculated Property
Cp,gas 375.47 J/mol×K 353.78 Calculated Property
Cp,gas 430.95 J/mol×K 434.56 Calculated Property
Cp,gas 476.27 J/mol×K 515.33 Calculated Property
Cp,gas 512.69 J/mol×K 596.11 Calculated Property
Cp,gas 541.48 J/mol×K 676.89 Calculated Property
Cp,gas 563.90 J/mol×K 757.67 Calculated Property
Cp,gas 581.21 J/mol×K 838.44 Calculated Property
Cp,gas 594.68 J/mol×K 919.22 Calculated Property
Cp,gas 605.57 J/mol×K 1000.00 Calculated Property

Similar Compounds

3-Fluoro-4-trifluoromethylbenzoic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester. 2-Fluorobenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. 3-Trifluoromethylbenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. 4-Fluoro-2-trifluoromethylbenzoic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester. 2,4-Difluorobenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. 6-Fluoro-2-trifluoromethylbenzoic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester. 2,6-Difluoro-3-methylbenzoic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. 3-Chloro-2-fluorobenzoic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester. 2-Fluoro-5-trifluoromethylbenzoic acid, butyl ester. 2-Fluoro-5-trifluoromethylbenzoic acid, isobutyl ester. 2-Fluoro-5-trifluoromethylbenzoic acid, pentyl ester. 2-Fluoro-5-trifluoromethylbenzoic acid, nonadecyl ester. 2-Fluoro-5-trifluoromethylbenzoic acid, tetradecyl ester. 2-Fluoro-5-trifluoromethylbenzoic acid, octadecyl ester.

Find more compounds similar to 6-Fluoro-3-trifluoromethylbenzoic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester.

Sources

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