Chemical Properties of L-Valine, N-(2-trifluoromethylbenzoyl)-, methyl ester

L-Valine, N-(2-trifluoromethylbenzoyl)-, methyl ester

InChI
InChI=1S/C14H16F3NO3/c1-8(2)11(13(20)21-3)18-12(19)9-6-4-5-7-10(9)14(15,16)17/h4-8,11H,1-3H3,(H,18,19)
InChI Key
REAFSGAZPGLZFK-UHFFFAOYSA-N
Formula
C14H16F3NO3
SMILES
COC(=O)C(NC(=O)c1ccccc1C(F)(F)F)C(C)C
Molecular Weight1
303.28
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Physical Properties

Property Value Unit Source
ΔfusH° 31.51 kJ/mol Joback Calculated Property
log10WS -3.58 Relay (1.0) Calculated Property
logPoct/wat 2.633 Crippen Calculated Property
McVol 208.660 ml/mol McGowan Calculated Property
Inp [1731.00; 1731.00]   Show Hide
Inp 1731.00 NIST
Inp 1731.00 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 [303.72; 677.81] 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-7.45000e+00
Coefficient B1.36186e+00
Coefficient C-8.64660e-04
Coefficient D1.88060e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 303.72 J/mol×K 273.00 Calculated Property
Cp,gas 374.45 J/mol×K 353.78 Calculated Property
Cp,gas 436.51 J/mol×K 434.56 Calculated Property
Cp,gas 490.47 J/mol×K 515.33 Calculated Property
Cp,gas 536.95 J/mol×K 596.11 Calculated Property
Cp,gas 576.53 J/mol×K 676.89 Calculated Property
Cp,gas 609.82 J/mol×K 757.67 Calculated Property
Cp,gas 637.39 J/mol×K 838.44 Calculated Property
Cp,gas 659.86 J/mol×K 919.22 Calculated Property
Cp,gas 677.81 J/mol×K 1000.00 Calculated Property

Similar Compounds

L-Valine, N-(2-trifluoromethylbenzoyl)-, propyl ester. L-Valine, N-(2-trifluoromethylbenzoyl)-, butyl ester. L-Valine, N-(2-trifluoromethylbenzoyl)-, pentyl ester. L-Valine, N-(2-trifluoromethylbenzoyl)-, octyl ester. L-Valine, N-(2-trifluoromethylbenzoyl)-, tridecyl ester. L-Valine, N-(2-trifluoromethylbenzoyl)-, heptyl ester. L-Valine, N-(2-trifluoromethylbenzoyl)-, hexyl ester. L-Valine, N-(2-trifluoromethylbenzoyl)-, decyl ester. L-Valine, N-(2-trifluoromethylbenzoyl)-, pentadecyl ester. L-Valine, N-(2-trifluoromethylbenzoyl)-, undecyl ester. L-Valine, N-(2-trifluoromethylbenzoyl)-, nonyl ester. L-Valine, N-(2-trifluoromethylbenzoyl)-, dodecyl ester. L-Valine, N-(2,5-ditrifluoromethylbenzoyl)-, ethyl ester. L-Valine, N-(2,5-ditrifluoromethylbenzoyl)-, propyl ester. L-Valine, N-(4-fluoro-2-trifluoromethylbenzoyl)-, propyl ester.

Find more compounds similar to L-Valine, N-(2-trifluoromethylbenzoyl)-, methyl ester.

Sources

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