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

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

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InChI
InChI=1S/C12H5F11O2/c13-7-3-5(1-2-6(7)10(16,17)18)8(24)25-4-9(14,15)11(19,20)12(21,22)23/h1-3H,4H2
InChI Key
YWRRQRYIPUQMRY-UHFFFAOYSA-N
Formula
C12H5F11O2
SMILES
O=C(OCC(F)(F)C(F)(F)C(F)(F)F)c1ccc(C(F)(F)F)c(F)c1
Molecular Weight1
390.15
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Physical Properties

Property Value Unit Source
ΔfG° -2222.16 kJ/mol Joback Calculated Property
ΔfH°gas -2514.43 kJ/mol Joback Calculated Property
ΔfusH° 27.11 kJ/mol Joback Calculated Property
ΔvapH° 40.89 kJ/mol Joback Calculated Property
log10WS -5.70 Crippen Calculated Property
logPoct/wat 4.834 Crippen Calculated Property
McVol 183.090 ml/mol McGowan Calculated Property
Pc 1676.91 kPa Joback Calculated Property
Inp 1112.00 NIST
Tboil 565.94 K Joback Calculated Property
Tc 725.76 K Joback Calculated Property
Tfus 364.79 K Joback Calculated Property
Vc 0.777 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [496.91; 552.67] J/mol×K [565.94; 725.76] Show Hide
Cp,gas 496.91 J/mol×K 565.94 Joback Calculated Property
Cp,gas 508.07 J/mol×K 592.58 Joback Calculated Property
Cp,gas 518.41 J/mol×K 619.21 Joback Calculated Property
Cp,gas 528.00 J/mol×K 645.85 Joback Calculated Property
Cp,gas 536.88 J/mol×K 672.49 Joback Calculated Property
Cp,gas 545.08 J/mol×K 699.12 Joback Calculated Property
Cp,gas 552.67 J/mol×K 725.76 Joback Calculated Property

Similar Compounds

3-Fluoro-4-trifluoromethylbenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. 6-Fluoro-3-trifluoromethylbenzoic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester. 4-Fluoro-2-trifluoromethylbenzoic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester. 3-Fluorobenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. 2,4-Difluorobenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. 2-Fluorobenzoic 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. 4-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. 3-Chloro-2-fluorobenzoic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester. Terephthalic acid, di(2,2,3,3,4,4,4-heptafluorobutyl) ester. Terephthalic acid, ethyl 2,2,3,3,4,4,4-heptafluorobutyl ester. Terephthalic acid, 2,2,3,3,4,4,4-heptafluorobutyl propyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, neopentyl ester. 2,6-Difluoro-3-methylbenzoic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester.

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

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