Chemical Properties of 2,5-Di(trifluoromethyl)benzoic acid, pentafluorobenzyl ester

2,5-Di(trifluoromethyl)benzoic acid, pentafluorobenzyl ester

InChI
InChI=1S/C16H5F11O2/c17-9-7(10(18)12(20)13(21)11(9)19)4-29-14(28)6-3-5(15(22,23)24)1-2-8(6)16(25,26)27/h1-3H,4H2
InChI Key
YAISAQIUKATIQO-UHFFFAOYSA-N
Formula
C16H5F11O2
SMILES
O=C(OCc1c(F)c(F)c(F)c(F)c1F)c1cc(C(F)(F)F)ccc1C(F)(F)F
Molecular Weight1
438.19
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Physical Properties

Property Value Unit Source
ΔfusH° 44.39 kJ/mol Joback Calculated Property
logPoct/wat 5.777 Crippen Calculated Property
McVol 215.690 ml/mol McGowan Calculated Property
Inp 1546.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [603.91; 653.83] J/mol×K [715.50; 891.69] Show Hide
Cp,gas 603.91 J/mol×K 715.50 Joback Calculated Property
Cp,gas 613.82 J/mol×K 744.87 Joback Calculated Property
Cp,gas 623.06 J/mol×K 774.23 Joback Calculated Property
Cp,gas 631.65 J/mol×K 803.60 Joback Calculated Property
Cp,gas 639.62 J/mol×K 832.96 Joback Calculated Property
Cp,gas 647.00 J/mol×K 862.33 Joback Calculated Property
Cp,gas 653.83 J/mol×K 891.69 Joback Calculated Property

Similar Compounds

4-Fluoro-2-trifluoromethylbenzoic acid, pentafluorobenzyl ester. 6-Fluoro-3-trifluoromethylbenzoic acid, pentafluorobenzyl ester. 6-Fluoro-2-trifluoromethylbenzoic acid, pentafluorobenzyl ester. Isophthalic acid, di(pentafluorobenzyl) ester. Phthalic acid, di(2,3,4,5-tetrafluorobenzyl) ester. Isophthalic acid, ethyl pentafluorobenzyl ester. Phthalic acid, di(2,4,5-trifluorobenzyl) ester. Phthalic acid, isobutyl 2,3,4,5-tetrafluorobenzyl ester. 4-(Methylthio)benzoic acid, 2-fluoro-6-(trifluoromethyl)benzyl ester. Phthalic acid, ethyl 2,3,4,5-tetrafluorobenzyl ester. Phthalic acid, isobutyl 2,3,6-trifluorobenzyl ester. Isophthalic acid, pentafluorobenzyl propyl ester. Terephthalic acid, di(2-fluoro-6-(trifluoromethyl)benzyl) ester. Phthalic acid, propyl 2,3,4,5-tetrafluorobenzyl ester. Terephthalic acid, 2-fluoro-6-(trifluoromethyl)benzyl isobutyl ester.

Find more compounds similar to 2,5-Di(trifluoromethyl)benzoic acid, pentafluorobenzyl ester.

Sources

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