Chemical Properties of L-Valine, N-(3-methoxy-2,4,5-trifluorobenzoyl)-, decyl ester

L-Valine, N-(3-methoxy-2,4,5-trifluorobenzoyl)-, decyl ester

InChI
InChI=1S/C23H34F3NO4/c1-5-6-7-8-9-10-11-12-13-31-23(29)20(15(2)3)27-22(28)16-14-17(24)19(26)21(30-4)18(16)25/h14-15,20H,5-13H2,1-4H3,(H,27,28)
InChI Key
AJXLGVOQLSGZHI-UHFFFAOYSA-N
Formula
C23H34F3NO4
SMILES
CCCCCCCCCCOC(=O)C(NC(=O)c1cc(F)c(F)c(OC)c1F)C(C)C
Molecular Weight1
445.52
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Physical Properties

Property Value Unit Source
ΔfusH° 62.26 kJ/mol Joback Calculated Property
logPoct/wat 5.551 Crippen Calculated Property
McVol 341.340 ml/mol McGowan Calculated Property
Inp [2742.00; 2742.00]   Show Hide
Inp 2742.00 NIST
Inp 2742.00 NIST
Tboil 643.87 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 [519.16; 1150.04] 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 A7.72390e+01
Coefficient B1.84938e+00
Coefficient C-8.70340e-04
Coefficient D9.37600e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 519.16 J/mol×K 273.00 Calculated Property
Cp,gas 626.73 J/mol×K 353.78 Calculated Property
Cp,gas 724.24 J/mol×K 434.56 Calculated Property
Cp,gas 811.98 J/mol×K 515.33 Calculated Property
Cp,gas 890.26 J/mol×K 596.11 Calculated Property
Cp,gas 959.37 J/mol×K 676.89 Calculated Property
Cp,gas 1019.61 J/mol×K 757.67 Calculated Property
Cp,gas 1071.27 J/mol×K 838.44 Calculated Property
Cp,gas 1114.64 J/mol×K 919.22 Calculated Property
Cp,gas 1150.04 J/mol×K 1000.00 Calculated Property

Similar Compounds

L-Valine, N-(3-methoxy-2,4,5-trifluorobenzoyl)-, tetradecyl ester. L-Valine, N-(3-methoxy-2,4,5-trifluorobenzoyl)-, pentadecyl ester. L-Valine, N-(3-methoxy-2,4,5-trifluorobenzoyl)-, undecyl ester. L-Valine, N-(3-methoxy-2,4,5-trifluorobenzoyl)-, hexadecyl ester. L-Valine, N-(3-methoxy-2,4,5-trifluorobenzoyl)-, heptyl ester. L-Valine, N-(3-methoxy-2,4,5-trifluorobenzoyl)-, octadecyl ester. L-Valine, N-(3-methoxy-2,4,5-trifluorobenzoyl)-, heptadecyl ester. L-Valine, N-(3-methoxy-2,4,5-trifluorobenzoyl)-, butyl ester. L-Valine, N-(3-methoxy-2,4,5-trifluorobenzoyl)-, isohexyl ester. L-Valine, N-(2,5-difluorobenzoyl)-, pentadecyl ester. L-Valine, N-(2,5-difluorobenzoyl)-, heptadecyl ester. L-Valine, N-(2,5-difluorobenzoyl)-, hexadecyl ester. L-Valine, N-(2,5-difluorobenzoyl)-, tetradecyl ester. L-Valine, N-(2,5-difluorobenzoyl)-, octadecyl ester. L-Valine, N-(2,5-difluorobenzoyl)-, pentyl ester.

Find more compounds similar to L-Valine, N-(3-methoxy-2,4,5-trifluorobenzoyl)-, decyl ester.

Sources

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