Chemical Properties of L-Valine, N-(2,6-difluorobenzoyl)-, heptyl ester

L-Valine, N-(2,6-difluorobenzoyl)-, heptyl ester

InChI
InChI=1S/C19H27F2NO3/c1-4-5-6-7-8-12-25-19(24)17(13(2)3)22-18(23)16-14(20)10-9-11-15(16)21/h9-11,13,17H,4-8,12H2,1-3H3,(H,22,23)
InChI Key
HBEBGDGXETWNHJ-UHFFFAOYSA-N
Formula
C19H27F2NO3
SMILES
CCCCCCCOC(=O)C(NC(=O)c1c(F)cccc1F)C(C)C
Molecular Weight1
355.42
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Physical Properties

Property Value Unit Source
ΔfusH° 48.41 kJ/mol Joback Calculated Property
log10WS -5.69 Relay (1.0) Calculated Property
logPoct/wat 4.233 Crippen Calculated Property
McVol 277.340 ml/mol McGowan Calculated Property
Pc 1337.84 kPa Joback Calculated Property
Inp [2373.00; 2373.00]   Show Hide
Inp 2373.00 NIST
Inp 2373.00 NIST
Tboil 606.71 K Relay (1.0) Calculated Property
Tfus 362.38 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 [405.60; 924.19] 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 A2.06860e+01
Coefficient B1.63976e+00
Coefficient C-8.81420e-04
Coefficient D1.45160e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 405.60 J/mol×K 273.00 Calculated Property
Cp,gas 496.91 J/mol×K 353.78 Calculated Property
Cp,gas 578.72 J/mol×K 434.56 Calculated Property
Cp,gas 651.50 J/mol×K 515.33 Calculated Property
Cp,gas 715.70 J/mol×K 596.11 Calculated Property
Cp,gas 771.79 J/mol×K 676.89 Calculated Property
Cp,gas 820.23 J/mol×K 757.67 Calculated Property
Cp,gas 861.46 J/mol×K 838.44 Calculated Property
Cp,gas 895.96 J/mol×K 919.22 Calculated Property
Cp,gas 924.19 J/mol×K 1000.00 Calculated Property

Similar Compounds

L-Valine, N-(2,6-difluorobenzoyl)-, hexadecyl ester. L-Valine, N-(2,6-difluorobenzoyl)-, heptadecyl ester. L-Valine, N-(2,6-difluorobenzoyl)-, octyl ester. L-Valine, N-(2,6-difluorobenzoyl)-, hexyl ester. L-Valine, N-(2,6-difluorobenzoyl)-, dodecyl ester. L-Valine, N-(2,6-difluorobenzoyl)-, octadecyl ester. L-Valine, N-(2,6-difluorobenzoyl)-, tetradecyl ester. L-Valine, N-(2,6-difluorobenzoyl)-, undecyl ester. L-Valine, N-(2,6-difluorobenzoyl)-, pentadecyl ester. L-Valine, N-(2,6-difluorobenzoyl)-, isohexyl ester. L-Valine, N-(2,4-difluorobenzoyl)-, dodecyl ester. L-Valine, N-(2,4-difluorobenzoyl)-, heptadecyl ester. L-Valine, N-(2,4-difluorobenzoyl)-, undecyl ester. L-Valine, N-(2,4-difluorobenzoyl)-, hexadecyl ester. L-Valine, N-(2,4-difluorobenzoyl)-, pentadecyl ester.

Find more compounds similar to L-Valine, N-(2,6-difluorobenzoyl)-, heptyl ester.

Sources

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