Chemical Properties of L-Valine, N-(3-fluorobenzoyl)-, heptadecyl ester

L-Valine, N-(3-fluorobenzoyl)-, heptadecyl ester

InChI
InChI=1S/C29H48FNO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-34-29(33)27(24(2)3)31-28(32)25-20-19-21-26(30)23-25/h19-21,23-24,27H,4-18,22H2,1-3H3,(H,31,32)
InChI Key
HWLOJHLJSPENDU-UHFFFAOYSA-N
Formula
C29H48FNO3
SMILES
CCCCCCCCCCCCCCCCCOC(=O)C(NC(=O)c1cccc(F)c1)C(C)C
Molecular Weight1
477.69
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Physical Properties

Property Value Unit Source
ΔfusH° 71.62 kJ/mol Joback Calculated Property
logPoct/wat 7.995 Crippen Calculated Property
McVol 416.470 ml/mol McGowan Calculated Property
Pc 757.23 kPa Joback Calculated Property
Inp [3352.00; 3352.00]   Show Hide
Inp 3352.00 NIST
Inp 3352.00 NIST
Tboil 687.43 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, 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, 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 [606.99; 1436.07] 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 A-8.79400e+00
Coefficient B2.63746e+00
Coefficient C-1.47606e-03
Coefficient D2.83460e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 606.99 J/mol×K 273.00 Calculated Property
Cp,gas 752.09 J/mol×K 353.78 Calculated Property
Cp,gas 881.85 J/mol×K 434.56 Calculated Property
Cp,gas 997.18 J/mol×K 515.33 Calculated Property
Cp,gas 1098.95 J/mol×K 596.11 Calculated Property
Cp,gas 1188.09 J/mol×K 676.89 Calculated Property
Cp,gas 1265.47 J/mol×K 757.67 Calculated Property
Cp,gas 1331.99 J/mol×K 838.44 Calculated Property
Cp,gas 1388.56 J/mol×K 919.22 Calculated Property
Cp,gas 1436.07 J/mol×K 1000.00 Calculated Property

Similar Compounds

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

Find more compounds similar to L-Valine, N-(3-fluorobenzoyl)-, heptadecyl ester.

Sources

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