Chemical Properties of Glutaric acid, 2-fluoro-6-(trifluoromethyl)benzyl isobutyl ester

Glutaric acid, 2-fluoro-6-(trifluoromethyl)benzyl isobutyl ester

InChI
InChI=1S/C17H20F4O4/c1-11(2)9-24-15(22)7-4-8-16(23)25-10-12-13(17(19,20)21)5-3-6-14(12)18/h3,5-6,11H,4,7-10H2,1-2H3
InChI Key
OLQOMDAVMOUSTQ-UHFFFAOYSA-N
Formula
C17H20F4O4
SMILES
CC(C)COC(=O)CCCC(=O)OCc1c(F)cccc1C(F)(F)F
Molecular Weight1
364.33
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Physical Properties

Property Value Unit Source
ΔfH°gas -1609.00 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 43.17 kJ/mol Joback Calculated Property
ΔvapH° 84.67 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 4.257 Crippen Calculated Property
McVol 248.590 ml/mol McGowan Calculated Property
Inp [2164.00; 2164.00]   Show Hide
Inp 2164.00 NIST
Inp 2164.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [377.66; 818.27] 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 A3.11550e+01
Coefficient B1.49024e+00
Coefficient C-8.49520e-04
Coefficient D1.46400e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 377.66 J/mol×K 273.00 Calculated Property
Cp,gas 458.53 J/mol×K 353.78 Calculated Property
Cp,gas 530.34 J/mol×K 434.56 Calculated Property
Cp,gas 593.56 J/mol×K 515.33 Calculated Property
Cp,gas 648.64 J/mol×K 596.11 Calculated Property
Cp,gas 696.05 J/mol×K 676.89 Calculated Property
Cp,gas 736.26 J/mol×K 757.67 Calculated Property
Cp,gas 769.73 J/mol×K 838.44 Calculated Property
Cp,gas 796.91 J/mol×K 919.22 Calculated Property
Cp,gas 818.27 J/mol×K 1000.00 Calculated Property

Similar Compounds

Glutaric acid, 2-fluoro-6-(trifluoromethyl)benzyl propyl ester. Succinic acid, 2-fluoro-6-(trifluoromethyl)benzyl isobutyl ester. Glutaric acid, butyl 2-fluoro-6-(trifluoromethyl)benzyl ester. Glutaric acid, 2-fluoro-6-(trifluoromethyl)benzyl pentyl ester. Glutaric acid, dodecyl 2-fluoro-6-(trifluoromethyl)benzyl ester. Glutaric acid, 2-fluoro-6-(trifluoromethyl)benzyl octyl ester. Glutaric acid, 2-fluoro-6-(trifluoromethyl)benzyl nonyl ester. Glutaric acid, decyl 2-fluoro-6-(trifluoromethyl)benzyl ester. Glutaric acid, 2-fluoro-6-(trifluoromethyl)benzyl undecyl ester. Glutaric acid, 2-fluoro-6-(trifluoromethyl)benzyl heptyl ester. Glutaric acid, 2-fluoro-6-(trifluoromethyl)benzyl hexyl ester. Glutaric acid, ethyl 2-fluoro-6-(trifluoromethyl)benzyl ester. Glutaric acid, di(2-fluoro-6-(trifluoromethyl)benzyl) ester. Glutaric acid, 2-fluoro-6-(trifluoromethyl)benzyl 2-methylhex-3-yl ester. Succinic acid, 2-fluoro-6-(trifluoromethyl)benzyl pentyl ester.

Find more compounds similar to Glutaric acid, 2-fluoro-6-(trifluoromethyl)benzyl isobutyl ester.

Sources

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