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

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

InChI
InChI=1S/C17H20F6O2/c1-3-5-6-11(4-2)10-25-15(24)13-9-12(16(18,19)20)7-8-14(13)17(21,22)23/h7-9,11H,3-6,10H2,1-2H3
InChI Key
SHOZCBZKTNDEAX-UHFFFAOYSA-N
Formula
C17H20F6O2
SMILES
CCCCC(CC)COC(=O)c1cc(C(F)(F)F)ccc1C(F)(F)F
Molecular Weight1
370.33
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Physical Properties

Property Value Unit Source
ΔfusH° 37.55 kJ/mol Joback Calculated Property
log10WS -6.78 Relay (1.0) Calculated Property
logPoct/wat 6.097 Crippen Calculated Property
McVol 244.690 ml/mol McGowan Calculated Property
Pc 1305.17 kPa Joback Calculated Property
Inp [1575.00; 1575.00]   Show Hide
Inp 1575.00 NIST
Inp 1575.00 NIST
Tboil 562.83 K Relay (1.0) Calculated Property
Tfus 278.15 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [376.26; 825.77] 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-6.54500e+00
Coefficient B1.69444e+00
Coefficient C-1.14872e-03
Coefficient D2.86600e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 376.26 J/mol×K 273.00 Calculated Property
Cp,gas 461.83 J/mol×K 353.78 Calculated Property
Cp,gas 536.38 J/mol×K 434.56 Calculated Property
Cp,gas 600.82 J/mol×K 515.33 Calculated Property
Cp,gas 656.04 J/mol×K 596.11 Calculated Property
Cp,gas 702.97 J/mol×K 676.89 Calculated Property
Cp,gas 742.50 J/mol×K 757.67 Calculated Property
Cp,gas 775.54 J/mol×K 838.44 Calculated Property
Cp,gas 802.99 J/mol×K 919.22 Calculated Property
Cp,gas 825.77 J/mol×K 1000.00 Calculated Property

Similar Compounds

2,5-Di(trifluoromethyl)benzoic acid, cyclohexylmethyl ester. 2,5-Di(trifluoromethyl)benzoic acid, isohexyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 2-methylbutyl ester. 2-Trifluoromethylbenzoic acid, 2-methylpentyl ester. 5-Fluoro-2-trifluoromethylbenzoic acid, 2-ethylhexyl ester. 2,5-Di(trifluoromethyl)benzoic acid, tridecyl ester. 2,5-Di(trifluoromethyl)benzoic acid, octyl ester. 2,5-Di(trifluoromethyl)benzoic acid, eicosyl ester. 2,5-Di(trifluoromethyl)benzoic acid, pentadecyl ester. 2,5-Di(trifluoromethyl)benzoic acid, undecyl ester. 2,5-Di(trifluoromethyl)benzoic acid, hexadecyl ester. 2,5-Di(trifluoromethyl)benzoic acid, octadecyl ester. 2,5-Di(trifluoromethyl)benzoic acid, nonadecyl ester. 2,5-Di(trifluoromethyl)benzoic acid, nonyl ester. 2,5-Di(trifluoromethyl)benzoic acid, heptyl ester.

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

Sources

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