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

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

InChI
InChI=1S/C28H44F3NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-36-28(34)25(20(2)3)32-27(33)21-19-22(29)24(31)26(35-4)23(21)30/h19-20,25H,5-18H2,1-4H3,(H,32,33)
InChI Key
DSKJBKZIZSVUIT-UHFFFAOYSA-N
Formula
C28H44F3NO4
SMILES
CCCCCCCCCCCCCCCOC(=O)C(NC(=O)c1cc(F)c(F)c(OC)c1F)C(C)C
Molecular Weight1
515.65
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Physical Properties

Property Value Unit Source
ΔfusH° 75.21 kJ/mol Joback Calculated Property
logPoct/wat 7.501 Crippen Calculated Property
McVol 411.790 ml/mol McGowan Calculated Property
Inp [3271.00; 3271.00]   Show Hide
Inp 3271.00 NIST
Inp 3271.00 NIST
Tboil 679.31 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 [625.23; 1407.99] 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 A7.26940e+01
Coefficient B2.32438e+00
Coefficient C-1.14234e-03
Coefficient D1.53260e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 625.23 J/mol×K 273.00 Calculated Property
Cp,gas 758.82 J/mol×K 353.78 Calculated Property
Cp,gas 879.63 J/mol×K 434.56 Calculated Property
Cp,gas 988.13 J/mol×K 515.33 Calculated Property
Cp,gas 1084.82 J/mol×K 596.11 Calculated Property
Cp,gas 1170.18 J/mol×K 676.89 Calculated Property
Cp,gas 1244.69 J/mol×K 757.67 Calculated Property
Cp,gas 1308.84 J/mol×K 838.44 Calculated Property
Cp,gas 1363.11 J/mol×K 919.22 Calculated Property
Cp,gas 1407.99 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)-, undecyl ester. L-Valine, N-(3-methoxy-2,4,5-trifluorobenzoyl)-, decyl 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)-, pentadecyl ester.

Sources

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