Chemical Properties of 3-Fluoro-4-trifluoromethylbenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester

3-Fluoro-4-trifluoromethylbenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester

InChI
InChI=1S/C13H6F12O2/c14-7-3-5(1-2-6(7)12(21,22)23)8(26)27-4-10(17,18)13(24,25)11(19,20)9(15)16/h1-3,9H,4H2
InChI Key
JUFNFPARVIHWPA-UHFFFAOYSA-N
Formula
C13H6F12O2
SMILES
O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1ccc(C(F)(F)F)c(F)c1
Molecular Weight1
422.17
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Physical Properties

Property Value Unit Source
ω 0.7014 Relay (1.0) Calculated Property
ΔfG° -2410.99 kJ/mol Joback Calculated Property
ΔfH°gas -2750.20 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 29.26 kJ/mol Joback Calculated Property
ΔvapH° 73.87 kJ/mol Relay (1.0) Calculated Property
IE 10.25 eV Relay (1.0) Calculated Property
log10WS -6.66 Relay (1.0) Calculated Property
logPoct/wat 5.172 Crippen Calculated Property
McVol 198.950 ml/mol McGowan Calculated Property
Pc 1508.15 kPa Joback Calculated Property
Inp [1278.00; 1278.00]   Show Hide
Inp 1278.00 NIST
Inp 1278.00 NIST
Tboil 523.49 K Relay (1.0) Calculated Property
Tc 699.22 K Relay (1.0) Calculated Property
Tfus 336.92 K Relay (1.0) Calculated Property
Vc 0.773 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [553.69; 610.97] J/mol×K [587.65; 744.22] Show Hide
Cp,gas 553.69 J/mol×K 587.65 Joback Calculated Property
Cp,gas 565.08 J/mol×K 613.75 Joback Calculated Property
Cp,gas 575.67 J/mol×K 639.84 Joback Calculated Property
Cp,gas 585.51 J/mol×K 665.94 Joback Calculated Property
Cp,gas 594.65 J/mol×K 692.03 Joback Calculated Property
Cp,gas 603.12 J/mol×K 718.13 Joback Calculated Property
Cp,gas 610.97 J/mol×K 744.22 Joback Calculated Property

Similar Compounds

3-Fluoro-4-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. 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. 6-Fluoro-3-trifluoromethylbenzoic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester. 4-Methylbenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. 3-Chloro-2-fluorobenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. 2-Trifluoromethylbenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. Benzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. Benzoic acid, 3-methyl-, 2,2,3,3,4,4,5,5-octafluoropentyl ester. 4-Fluoro-2-trifluoromethylbenzoic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester. Isophthalic acid, di(2,2,3,3,4,4,5,5-octafluoropentyl) ester.

Find more compounds similar to 3-Fluoro-4-trifluoromethylbenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester.

Sources

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