Chemical Properties of L-Valine, N-(2,4-difluorobenzoyl)-, pentadecyl ester

L-Valine, N-(2,4-difluorobenzoyl)-, pentadecyl ester

InChI
InChI=1S/C27H43F2NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-33-27(32)25(21(2)3)30-26(31)23-18-17-22(28)20-24(23)29/h17-18,20-21,25H,4-16,19H2,1-3H3,(H,30,31)
InChI Key
QXSFKWLMXKSIGZ-UHFFFAOYSA-N
Formula
C27H43F2NO3
SMILES
CCCCCCCCCCCCCCCOC(=O)C(NC(=O)c1ccc(F)cc1F)C(C)C
Molecular Weight1
467.63
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Physical Properties

Property Value Unit Source
ΔfusH° 69.13 kJ/mol Joback Calculated Property
logPoct/wat 7.354 Crippen Calculated Property
McVol 390.060 ml/mol McGowan Calculated Property
Inp [3087.00; 3087.00]   Show Hide
Inp 3087.00 NIST
Inp 3087.00 NIST
Tboil 670.30 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 [575.31; 1336.91] 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 A1.34140e+01
Coefficient B2.39976e+00
Coefficient C-1.31662e-03
Coefficient D2.40360e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 575.31 J/mol×K 273.00 Calculated Property
Cp,gas 708.25 J/mol×K 353.78 Calculated Property
Cp,gas 827.34 J/mol×K 434.56 Calculated Property
Cp,gas 933.33 J/mol×K 515.33 Calculated Property
Cp,gas 1026.99 J/mol×K 596.11 Calculated Property
Cp,gas 1109.08 J/mol×K 676.89 Calculated Property
Cp,gas 1180.36 J/mol×K 757.67 Calculated Property
Cp,gas 1241.58 J/mol×K 838.44 Calculated Property
Cp,gas 1293.51 J/mol×K 919.22 Calculated Property
Cp,gas 1336.91 J/mol×K 1000.00 Calculated Property

Similar Compounds

L-Valine, N-(2,4-difluorobenzoyl)-, tetradecyl ester. L-Valine, N-(2,4-difluorobenzoyl)-, dodecyl ester. L-Valine, N-(2,4-difluorobenzoyl)-, heptadecyl ester. L-Valine, N-(2,4-difluorobenzoyl)-, hexadecyl ester. L-Valine, N-(2,4-difluorobenzoyl)-, octadecyl ester. L-Valine, N-(2,4-difluorobenzoyl)-, undecyl ester. L-Valine, N-(3,4-difluorobenzoyl)-, heptadecyl ester. L-Valine, N-(3,4-difluorobenzoyl)-, hexadecyl ester. L-Valine, N-(3,4-difluorobenzoyl)-, hexyl ester. L-Valine, N-(3,4-difluorobenzoyl)-, octyl ester. L-Valine, N-(3,4-difluorobenzoyl)-, undecyl ester. L-Valine, N-(3,4-difluorobenzoyl)-, dodecyl ester. L-Valine, N-(3,4-difluorobenzoyl)-, octadecyl ester. L-Valine, N-(3,4-difluorobenzoyl)-, nonyl ester. L-Valine, N-(3,4-difluorobenzoyl)-, pentadecyl ester.

Find more compounds similar to L-Valine, N-(2,4-difluorobenzoyl)-, pentadecyl ester.

Sources

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