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

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

InChI
InChI=1S/C33H54F3NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-40-32(39)30(27(2)3)37-31(38)28-23-22-24-29(26-28)33(34,35)36/h22-24,26-27,30H,4-21,25H2,1-3H3,(H,37,38)
InChI Key
IUDXNGYYPYOTSV-UHFFFAOYSA-N
Formula
C33H54F3NO3
SMILES
CCCCCCCCCCCCCCCCCCCCOC(=O)C(NC(=O)c1cccc(C(F)(F)F)c1)C(C)C
Molecular Weight1
569.78
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Physical Properties

Property Value Unit Source
ΔfusH° 80.72 kJ/mol Joback Calculated Property
logPoct/wat 10.045 Crippen Calculated Property
McVol 476.370 ml/mol McGowan Calculated Property
Pc 598.09 kPa Joback Calculated Property
Inp 3569.00 NIST
Tboil 717.45 K Relay (1.0) Calculated Property
Tfus 368.76 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 [706.78; 1658.04] 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-2.47210e+01
Coefficient B3.16686e+00
Coefficient C-1.89826e-03
Coefficient D4.14160e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 706.78 J/mol×K 273.00 Calculated Property
Cp,gas 876.40 J/mol×K 353.78 Calculated Property
Cp,gas 1026.98 J/mol×K 434.56 Calculated Property
Cp,gas 1159.83 J/mol×K 515.33 Calculated Property
Cp,gas 1276.27 J/mol×K 596.11 Calculated Property
Cp,gas 1377.60 J/mol×K 676.89 Calculated Property
Cp,gas 1465.13 J/mol×K 757.67 Calculated Property
Cp,gas 1540.17 J/mol×K 838.44 Calculated Property
Cp,gas 1604.04 J/mol×K 919.22 Calculated Property
Cp,gas 1658.04 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)-, octadecyl 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)-, eicosyl ester.

Sources

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