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

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

InChI
InChI=1S/C23H35F2NO3/c1-4-5-6-7-8-9-10-11-12-16-29-23(28)21(17(2)3)26-22(27)20-18(24)14-13-15-19(20)25/h13-15,17,21H,4-12,16H2,1-3H3,(H,26,27)
InChI Key
QOCJBZJHIYMUCR-UHFFFAOYSA-N
Formula
C23H35F2NO3
SMILES
CCCCCCCCCCCOC(=O)C(NC(=O)c1c(F)cccc1F)C(C)C
Molecular Weight1
411.53
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Physical Properties

Property Value Unit Source
ΔfusH° 58.77 kJ/mol Joback Calculated Property
log10WS -6.85 Relay (1.0) Calculated Property
logPoct/wat 5.793 Crippen Calculated Property
McVol 333.700 ml/mol McGowan Calculated Property
Pc 1028.60 kPa Joback Calculated Property
Inp [2780.00; 2780.00]   Show Hide
Inp 2780.00 NIST
Inp 2780.00 NIST
Tboil 635.71 K Relay (1.0) Calculated Property
Tfus 366.91 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 [490.46; 1130.55] 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 A1.70500e+01
Coefficient B2.01976e+00
Coefficient C-1.09902e-03
Coefficient D1.92760e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 490.46 J/mol×K 273.00 Calculated Property
Cp,gas 602.58 J/mol×K 353.78 Calculated Property
Cp,gas 703.03 J/mol×K 434.56 Calculated Property
Cp,gas 792.42 J/mol×K 515.33 Calculated Property
Cp,gas 871.35 J/mol×K 596.11 Calculated Property
Cp,gas 940.44 J/mol×K 676.89 Calculated Property
Cp,gas 1000.29 J/mol×K 757.67 Calculated Property
Cp,gas 1051.52 J/mol×K 838.44 Calculated Property
Cp,gas 1094.74 J/mol×K 919.22 Calculated Property
Cp,gas 1130.55 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)-, 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)-, 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)-, undecyl ester.

Sources

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