Chemical Properties of L-Valine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, undecyl ester

L-Valine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, undecyl ester

InChI
InChI=1S/C24H35F4NO3/c1-4-5-6-7-8-9-10-11-12-16-32-23(31)21(17(2)3)29-22(30)18-14-13-15-19(20(18)25)24(26,27)28/h13-15,17,21H,4-12,16H2,1-3H3,(H,29,30)
InChI Key
DEZZPDXOADLPPV-UHFFFAOYSA-N
Formula
C24H35F4NO3
SMILES
CCCCCCCCCCCOC(=O)C(NC(=O)c1cccc(C(F)(F)F)c1F)C(C)C
Molecular Weight1
461.53
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Physical Properties

Property Value Unit Source
ΔfusH° 60.11 kJ/mol Joback Calculated Property
log10WS -7.20 Relay (1.0) Calculated Property
logPoct/wat 6.673 Crippen Calculated Property
McVol 351.330 ml/mol McGowan Calculated Property
Pc 926.68 kPa Joback Calculated Property
Inp [2646.00; 2646.00]   Show Hide
Inp 2646.00 NIST
Inp 2646.00 NIST
Tboil 653.67 K Relay (1.0) Calculated Property
Tfus 361.75 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 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 [526.61; 1197.75] 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 A3.85000e+00
Coefficient B2.26416e+00
Coefficient C-1.35802e-03
Coefficient D2.87760e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 526.61 J/mol×K 273.00 Calculated Property
Cp,gas 647.63 J/mol×K 353.78 Calculated Property
Cp,gas 754.92 J/mol×K 434.56 Calculated Property
Cp,gas 849.38 J/mol×K 515.33 Calculated Property
Cp,gas 931.93 J/mol×K 596.11 Calculated Property
Cp,gas 1003.46 J/mol×K 676.89 Calculated Property
Cp,gas 1064.91 J/mol×K 757.67 Calculated Property
Cp,gas 1117.16 J/mol×K 838.44 Calculated Property
Cp,gas 1161.14 J/mol×K 919.22 Calculated Property
Cp,gas 1197.75 J/mol×K 1000.00 Calculated Property

Similar Compounds

L-Valine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, tetradecyl ester. L-Valine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, heptadecyl ester. L-Valine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, heptyl ester. L-Valine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, hexadecyl ester. L-Valine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, octadecyl ester. L-Valine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, pentadecyl ester. L-Valine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, nonyl ester. L-Valine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, hexyl ester. L-Valine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, decyl ester. L-Valine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, dodecyl ester. L-Valine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, octyl ester. L-Valine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, isohexyl ester. L-Valine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, propyl ester. L-Valine, N-(2-fluoro-5-trifluoromethylbenzoyl)-, octyl ester. L-Valine, N-(2-fluoro-5-trifluoromethylbenzoyl)-, heptadecyl ester.

Find more compounds similar to L-Valine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, undecyl ester.

Sources

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