Chemical Properties of L-Valine, N-(4-fluorobenzoyl)-, hexadecyl ester

L-Valine, N-(4-fluorobenzoyl)-, hexadecyl ester

InChI
InChI=1S/C28H46FNO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-33-28(32)26(23(2)3)30-27(31)24-18-20-25(29)21-19-24/h18-21,23,26H,4-17,22H2,1-3H3,(H,30,31)
InChI Key
DPQBIKYAZPIVHY-UHFFFAOYSA-N
Formula
C28H46FNO3
SMILES
CCCCCCCCCCCCCCCCOC(=O)C(NC(=O)c1ccc(F)cc1)C(C)C
Molecular Weight1
463.67
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Physical Properties

Property Value Unit Source
ΔfusH° 69.03 kJ/mol Joback Calculated Property
log10WS -7.88 Relay (1.0) Calculated Property
logPoct/wat 7.605 Crippen Calculated Property
McVol 402.380 ml/mol McGowan Calculated Property
Pc 798.89 kPa Joback Calculated Property
Inp [3253.00; 3253.00]   Show Hide
Inp 3253.00 NIST
Inp 3253.00 NIST
Tboil 684.05 K Relay (1.0) Calculated Property
Tfus 360.12 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 [585.78; 1384.48] 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-7.88500e+00
Coefficient B2.54246e+00
Coefficient C-1.42166e-03
Coefficient D2.71560e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 585.78 J/mol×K 273.00 Calculated Property
Cp,gas 725.67 J/mol×K 353.78 Calculated Property
Cp,gas 850.78 J/mol×K 434.56 Calculated Property
Cp,gas 961.95 J/mol×K 515.33 Calculated Property
Cp,gas 1060.04 J/mol×K 596.11 Calculated Property
Cp,gas 1145.92 J/mol×K 676.89 Calculated Property
Cp,gas 1220.45 J/mol×K 757.67 Calculated Property
Cp,gas 1284.48 J/mol×K 838.44 Calculated Property
Cp,gas 1338.87 J/mol×K 919.22 Calculated Property
Cp,gas 1384.47 J/mol×K 1000.00 Calculated Property

Similar Compounds

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

Find more compounds similar to L-Valine, N-(4-fluorobenzoyl)-, hexadecyl ester.

Sources

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