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

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

InChI
InChI=1S/C20H29F2NO3/c1-4-5-6-7-8-9-13-26-20(25)18(14(2)3)23-19(24)17-15(21)11-10-12-16(17)22/h10-12,14,18H,4-9,13H2,1-3H3,(H,23,24)
InChI Key
HMMTUGNLCDAGJA-UHFFFAOYSA-N
Formula
C20H29F2NO3
SMILES
CCCCCCCCOC(=O)C(NC(=O)c1c(F)cccc1F)C(C)C
Molecular Weight1
369.45
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Physical Properties

Property Value Unit Source
ΔfusH° 51.00 kJ/mol Joback Calculated Property
log10WS -5.99 Relay (1.0) Calculated Property
logPoct/wat 4.623 Crippen Calculated Property
McVol 291.430 ml/mol McGowan Calculated Property
Pc 1248.61 kPa Joback Calculated Property
Inp [2475.00; 2475.00]   Show Hide
Inp 2475.00 NIST
Inp 2475.00 NIST
Tboil 614.10 K Relay (1.0) Calculated Property
Tfus 363.43 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 [426.82; 975.78] 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 A1.97770e+01
Coefficient B1.73476e+00
Coefficient C-9.35820e-04
Coefficient D1.57060e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 426.82 J/mol×K 273.00 Calculated Property
Cp,gas 523.32 J/mol×K 353.78 Calculated Property
Cp,gas 609.80 J/mol×K 434.56 Calculated Property
Cp,gas 686.73 J/mol×K 515.33 Calculated Property
Cp,gas 754.61 J/mol×K 596.11 Calculated Property
Cp,gas 813.95 J/mol×K 676.89 Calculated Property
Cp,gas 865.24 J/mol×K 757.67 Calculated Property
Cp,gas 908.98 J/mol×K 838.44 Calculated Property
Cp,gas 945.66 J/mol×K 919.22 Calculated Property
Cp,gas 975.78 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)-, hexyl ester. L-Valine, N-(2,6-difluorobenzoyl)-, heptyl 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)-, octyl ester.

Sources

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