Chemical Properties of 3-Fluoro-5-trifluoromethylbenzoic acid, neopentyl ester

3-Fluoro-5-trifluoromethylbenzoic acid, neopentyl ester

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InChI
InChI=1S/C13H14F4O2/c1-12(2,3)7-19-11(18)8-4-9(13(15,16)17)6-10(14)5-8/h4-6H,7H2,1-3H3
InChI Key
SGHDTNDWCXOFSQ-UHFFFAOYSA-N
Formula
C13H14F4O2
SMILES
CC(C)(C)COC(=O)c1cc(F)cc(C(F)(F)F)c1
Molecular Weight1
278.24
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Physical Properties

Property Value Unit Source
Δf -855.75 kJ/mol Joback Calculated Property
Δfgas -1144.80 kJ/mol Joback Calculated Property
Δfus 22.97 kJ/mol Joback Calculated Property
Δvap 51.43 kJ/mol Joback Calculated Property
log10WS -4.58 Crippen Calculated Property
logPoct/wat 4.047 Crippen Calculated Property
McVol 184.790 ml/mol McGowan Calculated Property
Pc 1956.14 kPa Joback Calculated Property
Inp [1248.00; 1248.00]   Show Hide
Inp 1248.00 NIST
Inp 1248.00 NIST
Tboil 600.39 K Joback Calculated Property
Tc 791.41 K Joback Calculated Property
Tfus 367.09 K Joback Calculated Property
Vc 0.730 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [481.60; 553.33] J/mol×K [600.39; 791.41] Show Hide
Cp,gas 481.60 J/mol×K 600.39 Joback Calculated Property
Cp,gas 495.65 J/mol×K 632.23 Joback Calculated Property
Cp,gas 508.79 J/mol×K 664.06 Joback Calculated Property
Cp,gas 521.09 J/mol×K 695.90 Joback Calculated Property
Cp,gas 532.59 J/mol×K 727.74 Joback Calculated Property
Cp,gas 543.32 J/mol×K 759.58 Joback Calculated Property
Cp,gas 553.33 J/mol×K 791.41 Joback Calculated Property

Similar Compounds

5-Fluoro-3-trifluoromethylbenzoic acid, isobutyl ester. 5-Fluoro-3-trifluoromethylbenzoic acid, propyl ester. 5-Fluoro-3-trifluoromethylbenzoic acid, ethyl ester. 5-Fluoro-3-trifluoromethylbenzoic acid, butyl ester. 3-Fluoro-5-trifluoromethylbenzoic acid, isopropyl ester. 3-Fluoro-5-trifluoromethylbenzoic acid, 2-methylbutyl ester. 5-Fluoro-3-trifluoromethylbenzoic acid, pentyl ester. 5-Fluoro-3-trifluoromethylbenzoic acid, hexyl ester. 5-Fluoro-3-trifluoromethylbenzoic acid, octadecyl ester. 5-Fluoro-3-trifluoromethylbenzoic acid, undecyl ester. 5-Fluoro-3-trifluoromethylbenzoic acid, heptadecyl ester. 5-Fluoro-3-trifluoromethylbenzoic acid, tetradecyl ester. 5-Fluoro-3-trifluoromethylbenzoic acid, eicosyl ester. 5-Fluoro-3-trifluoromethylbenzoic acid, octyl ester. 5-Fluoro-3-trifluoromethylbenzoic acid, pentadecyl ester.

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

Sources

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