Chemical Properties of L-Valine, N-(3-trifluoromethylbenzoyl)-, ethyl ester

L-Valine, N-(3-trifluoromethylbenzoyl)-, ethyl ester

InChI
InChI=1S/C15H18F3NO3/c1-4-22-14(21)12(9(2)3)19-13(20)10-6-5-7-11(8-10)15(16,17)18/h5-9,12H,4H2,1-3H3,(H,19,20)
InChI Key
IXDLVGRQBAUEOT-UHFFFAOYSA-N
Formula
C15H18F3NO3
SMILES
CCOC(=O)C(NC(=O)c1cccc(C(F)(F)F)c1)C(C)C
Molecular Weight1
317.30
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Physical Properties

Property Value Unit Source
ΔfusH° 34.10 kJ/mol Joback Calculated Property
logPoct/wat 3.023 Crippen Calculated Property
McVol 222.750 ml/mol McGowan Calculated Property
Inp [1816.00; 1816.00]   Show Hide
Inp 1816.00 NIST
Inp 1816.00 NIST
Tboil 573.50 K Relay (1.0) Calculated Property
Tfus 367.14 K Relay (1.0) Calculated Property

Cheméo can also estimate 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [324.94; 729.40] 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-8.35900e+00
Coefficient B1.45686e+00
Coefficient C-9.19060e-04
Coefficient D1.99960e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 324.94 J/mol×K 273.00 Calculated Property
Cp,gas 400.87 J/mol×K 353.78 Calculated Property
Cp,gas 467.58 J/mol×K 434.56 Calculated Property
Cp,gas 525.70 J/mol×K 515.33 Calculated Property
Cp,gas 575.86 J/mol×K 596.11 Calculated Property
Cp,gas 618.69 J/mol×K 676.89 Calculated Property
Cp,gas 654.83 J/mol×K 757.67 Calculated Property
Cp,gas 684.91 J/mol×K 838.44 Calculated Property
Cp,gas 709.55 J/mol×K 919.22 Calculated Property
Cp,gas 729.40 J/mol×K 1000.00 Calculated Property

Similar Compounds

L-Valine, N-(3-trifluoromethylbenzoyl)-, butyl ester. L-Valine, N-(3-trifluoromethylbenzoyl)-, pentyl ester. L-Valine, N-(2,5-ditrifluoromethylbenzoyl)-, ethyl ester. L-Valine, N-(3-trifluoromethylbenzoyl)-, nonadecyl ester. L-Valine, N-(3-trifluoromethylbenzoyl)-, tridecyl ester. L-Valine, N-(3-trifluoromethylbenzoyl)-, heptyl ester. L-Valine, N-(3-trifluoromethylbenzoyl)-, octadecyl ester. L-Valine, N-(3-trifluoromethylbenzoyl)-, hexyl ester. L-Valine, N-(3-trifluoromethylbenzoyl)-, tetradecyl ester. L-Valine, N-(3-trifluoromethylbenzoyl)-, eicosyl ester. L-Valine, N-(3-trifluoromethylbenzoyl)-, heptadecyl ester. L-Valine, N-(3-trifluoromethylbenzoyl)-, undecyl ester. L-Valine, N-(3-trifluoromethylbenzoyl)-, nonyl ester. L-Valine, N-(3-trifluoromethylbenzoyl)-, hexadecyl ester. L-Valine, N-(3-trifluoromethylbenzoyl)-, pentadecyl ester.

Find more compounds similar to L-Valine, N-(3-trifluoromethylbenzoyl)-, ethyl ester.

Sources

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