Chemical Properties of L-Valine, N-(4-fluoro-2-trifluoromethylbenzoyl)-, dodecyl ester

L-Valine, N-(4-fluoro-2-trifluoromethylbenzoyl)-, dodecyl ester

InChI
InChI=1S/C25H37F4NO3/c1-4-5-6-7-8-9-10-11-12-13-16-33-24(32)22(18(2)3)30-23(31)20-15-14-19(26)17-21(20)25(27,28)29/h14-15,17-18,22H,4-13,16H2,1-3H3,(H,30,31)
InChI Key
LPNUIJLFGKLSGG-UHFFFAOYSA-N
Formula
C25H37F4NO3
SMILES
CCCCCCCCCCCCOC(=O)C(NC(=O)c1ccc(F)cc1C(F)(F)F)C(C)C
Molecular Weight1
475.56
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Physical Properties

Property Value Unit Source
ΔfusH° 62.70 kJ/mol Joback Calculated Property
logPoct/wat 7.063 Crippen Calculated Property
McVol 365.420 ml/mol McGowan Calculated Property
Inp [2736.00; 2736.00]   Show Hide
Inp 2736.00 NIST
Inp 2736.00 NIST
Tboil 660.15 K Relay (1.0) Calculated Property

Cheméo can also estimate 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, 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 [547.82; 1249.34] 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 A2.94100e+00
Coefficient B2.35916e+00
Coefficient C-1.41242e-03
Coefficient D2.99660e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 547.82 J/mol×K 273.00 Calculated Property
Cp,gas 674.05 J/mol×K 353.78 Calculated Property
Cp,gas 786.00 J/mol×K 434.56 Calculated Property
Cp,gas 884.61 J/mol×K 515.33 Calculated Property
Cp,gas 970.84 J/mol×K 596.11 Calculated Property
Cp,gas 1045.62 J/mol×K 676.89 Calculated Property
Cp,gas 1109.92 J/mol×K 757.67 Calculated Property
Cp,gas 1164.67 J/mol×K 838.44 Calculated Property
Cp,gas 1210.83 J/mol×K 919.22 Calculated Property
Cp,gas 1249.34 J/mol×K 1000.00 Calculated Property

Similar Compounds

L-Valine, N-(4-fluoro-2-trifluoromethylbenzoyl)-, heptadecyl ester. L-Valine, N-(4-fluoro-2-trifluoromethylbenzoyl)-, pentadecyl ester. L-Valine, N-(4-fluoro-2-trifluoromethylbenzoyl)-, hexyl ester. L-Valine, N-(4-fluoro-2-trifluoromethylbenzoyl)-, octyl ester. L-Valine, N-(4-fluoro-2-trifluoromethylbenzoyl)-, decyl ester. L-Valine, N-(4-fluoro-2-trifluoromethylbenzoyl)-, nonyl ester. L-Valine, N-(4-fluoro-2-trifluoromethylbenzoyl)-, heptyl ester. L-Valine, N-(4-fluoro-2-trifluoromethylbenzoyl)-, undecyl ester. L-Valine, N-(4-fluoro-2-trifluoromethylbenzoyl)-, tetradecyl ester. L-Valine, N-(4-fluoro-2-trifluoromethylbenzoyl)-, octadecyl ester. L-Valine, N-(4-fluoro-2-trifluoromethylbenzoyl)-, pentyl ester. L-Valine, N-(4-fluoro-2-trifluoromethylbenzoyl)-, butyl ester. L-Valine, N-(5-fluoro-2-trifluoromethyl)-, dodecyl ester. L-Valine, N-(5-fluoro-2-trifluoromethyl)-, pentadecyl ester. L-Valine, N-(5-fluoro-2-trifluoromethyl)-, hexyl ester.

Find more compounds similar to L-Valine, N-(4-fluoro-2-trifluoromethylbenzoyl)-, dodecyl ester.

Sources

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