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

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

InChI
InChI=1S/C31H50F3NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-38-30(37)28(25(2)3)35-29(36)26-21-20-22-27(24-26)31(32,33)34/h20-22,24-25,28H,4-19,23H2,1-3H3,(H,35,36)
InChI Key
JNXJWZYIMMLBIS-UHFFFAOYSA-N
Formula
C31H50F3NO3
SMILES
CCCCCCCCCCCCCCCCCCOC(=O)C(NC(=O)c1cccc(C(F)(F)F)c1)C(C)C
Molecular Weight1
541.73
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Physical Properties

Property Value Unit Source
ΔfusH° 75.55 kJ/mol Joback Calculated Property
logPoct/wat 9.264 Crippen Calculated Property
McVol 448.190 ml/mol McGowan Calculated Property
Pc 658.47 kPa Joback Calculated Property
Inp [3355.00; 3355.00]   Show Hide
Inp 3355.00 NIST
Inp 3355.00 NIST
Tboil 703.78 K Relay (1.0) Calculated Property
Tfus 366.26 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, 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 [664.36; 1554.86] 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-2.29030e+01
Coefficient B2.97686e+00
Coefficient C-1.78946e-03
Coefficient D3.90360e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 664.36 J/mol×K 273.00 Calculated Property
Cp,gas 823.56 J/mol×K 353.78 Calculated Property
Cp,gas 964.82 J/mol×K 434.56 Calculated Property
Cp,gas 1089.37 J/mol×K 515.33 Calculated Property
Cp,gas 1198.44 J/mol×K 596.11 Calculated Property
Cp,gas 1293.27 J/mol×K 676.89 Calculated Property
Cp,gas 1375.09 J/mol×K 757.67 Calculated Property
Cp,gas 1445.14 J/mol×K 838.44 Calculated Property
Cp,gas 1504.65 J/mol×K 919.22 Calculated Property
Cp,gas 1554.86 J/mol×K 1000.00 Calculated Property

Similar Compounds

L-Valine, N-(3-trifluoromethylbenzoyl)-, dodecyl ester. L-Valine, N-(3-trifluoromethylbenzoyl)-, hexyl ester. L-Valine, N-(3-trifluoromethylbenzoyl)-, pentadecyl ester. L-Valine, N-(3-trifluoromethylbenzoyl)-, undecyl ester. L-Valine, N-(3-trifluoromethylbenzoyl)-, tetradecyl ester. L-Valine, N-(3-trifluoromethylbenzoyl)-, eicosyl ester. L-Valine, N-(3-trifluoromethylbenzoyl)-, heptyl ester. L-Valine, N-(3-trifluoromethylbenzoyl)-, nonadecyl ester. L-Valine, N-(3-trifluoromethylbenzoyl)-, nonyl ester. L-Valine, N-(3-trifluoromethylbenzoyl)-, heptadecyl ester. L-Valine, N-(3-trifluoromethylbenzoyl)-, tridecyl ester. L-Valine, N-(3-trifluoromethylbenzoyl)-, decyl ester. L-Valine, N-(3-trifluoromethylbenzoyl)-, hexadecyl ester. L-Valine, N-(3-trifluoromethylbenzoyl)-, pentyl ester. L-Valine, N-(3-trifluoromethylbenzoyl)-, butyl ester.

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

Sources

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