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

2,5-Di(trifluoromethyl)benzoic acid, 2-(dimethylamino)ethyl ester

InChI
InChI=1S/C13H13F6NO2/c1-20(2)5-6-22-11(21)9-7-8(12(14,15)16)3-4-10(9)13(17,18)19/h3-4,7H,5-6H2,1-2H3
InChI Key
QSHYNHMMXCRJID-UHFFFAOYSA-N
Formula
C13H13F6NO2
SMILES
CN(C)CCOC(=O)c1cc(C(F)(F)F)ccc1C(F)(F)F
Molecular Weight1
329.24
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Physical Properties

Property Value Unit Source
ΔfusH° 33.73 kJ/mol Joback Calculated Property
log10WS -3.91 Relay (1.0) Calculated Property
logPoct/wat 3.443 Crippen Calculated Property
McVol 198.310 ml/mol McGowan Calculated Property
Inp 1420.00 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 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 [307.22; 656.90] 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-1.19180e+01
Coefficient B1.43244e+00
Coefficient C-1.04052e-03
Coefficient D2.76900e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 307.22 J/mol×K 273.00 Calculated Property
Cp,gas 376.88 J/mol×K 353.78 Calculated Property
Cp,gas 436.79 J/mol×K 434.56 Calculated Property
Cp,gas 487.83 J/mol×K 515.33 Calculated Property
Cp,gas 530.88 J/mol×K 596.11 Calculated Property
Cp,gas 566.82 J/mol×K 676.89 Calculated Property
Cp,gas 596.51 J/mol×K 757.67 Calculated Property
Cp,gas 620.84 J/mol×K 838.44 Calculated Property
Cp,gas 640.68 J/mol×K 919.22 Calculated Property
Cp,gas 656.90 J/mol×K 1000.00 Calculated Property

Similar Compounds

4-Fluoro-2-trifluoromethylbenzoic acid, 2-dimethylaminoethyl ester. 2,5-Di(trifluoromethyl)benzoic acid, ethyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 2-chloroethyl ester. 6-Fluoro-3-trifluoromethylbenzoic acid, 2-dimethylaminoethyl ester. 2,5-Di(trifluoromethyl)benzoic acid, propyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 2-ethoxyethyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 2-methoxyethyl ester. 2,5-Di(trifluoromethyl)benzoic acid, isobutyl ester. 2,5-Di(trifluoromethyl)benzoic acid, butyl ester. 2,5-Di(trifluoromethyl)benzoic acid, isopropyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 2-methylbutyl ester. 2,5-Di(trifluoromethyl)benzoic acid, pentyl ester. 2,5-Di(trifluoromethyl)benzoic acid, isohexyl ester. 2,5-Di(trifluoromethyl)benzoic acid, pentadecyl ester. 2,5-Di(trifluoromethyl)benzoic acid, eicosyl ester.

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

Sources

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