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

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

InChI
InChI=1S/C24H36F3NO3/c1-4-5-6-7-8-9-10-11-12-16-31-23(30)21(18(2)3)28-22(29)19-14-13-15-20(17-19)24(25,26)27/h13-15,17-18,21H,4-12,16H2,1-3H3,(H,28,29)
InChI Key
QEHUSJANDGIRQW-UHFFFAOYSA-N
Formula
C24H36F3NO3
SMILES
CCCCCCCCCCCOC(=O)C(NC(=O)c1cccc(C(F)(F)F)c1)C(C)C
Molecular Weight1
443.54
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Physical Properties

Property Value Unit Source
ΔfusH° 57.41 kJ/mol Joback Calculated Property
logPoct/wat 6.534 Crippen Calculated Property
McVol 349.560 ml/mol McGowan Calculated Property
Pc 961.48 kPa Joback Calculated Property
Inp [2655.00; 2655.00]   Show Hide
Inp 2655.00 NIST
Inp 2655.00 NIST
Tboil 653.62 K Relay (1.0) Calculated Property
Tfus 359.19 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 [515.86; 1193.72] 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-1.65400e+01
Coefficient B2.31186e+00
Coefficient C-1.40866e-03
Coefficient D3.07060e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 515.86 J/mol×K 273.00 Calculated Property
Cp,gas 638.63 J/mol×K 353.78 Calculated Property
Cp,gas 747.28 J/mol×K 434.56 Calculated Property
Cp,gas 842.77 J/mol×K 515.33 Calculated Property
Cp,gas 926.06 J/mol×K 596.11 Calculated Property
Cp,gas 998.14 J/mol×K 676.89 Calculated Property
Cp,gas 1059.98 J/mol×K 757.67 Calculated Property
Cp,gas 1112.54 J/mol×K 838.44 Calculated Property
Cp,gas 1156.80 J/mol×K 919.22 Calculated Property
Cp,gas 1193.72 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)-, tetradecyl ester. L-Valine, N-(3-trifluoromethylbenzoyl)-, octadecyl 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)-, undecyl ester.

Sources

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