Chemical Properties of L-Valine, N-(3,4-difluorobenzoyl)-, hexyl ester

L-Valine, N-(3,4-difluorobenzoyl)-, hexyl ester

InChI
InChI=1S/C18H25F2NO3/c1-4-5-6-7-10-24-18(23)16(12(2)3)21-17(22)13-8-9-14(19)15(20)11-13/h8-9,11-12,16H,4-7,10H2,1-3H3,(H,21,22)
InChI Key
BGFSWVAPVWARIS-UHFFFAOYSA-N
Formula
C18H25F2NO3
SMILES
CCCCCCOC(=O)C(NC(=O)c1ccc(F)c(F)c1)C(C)C
Molecular Weight1
341.39
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Physical Properties

Property Value Unit Source
ΔfusH° 45.82 kJ/mol Joback Calculated Property
log10WS -5.34 Relay (1.0) Calculated Property
logPoct/wat 3.843 Crippen Calculated Property
McVol 263.250 ml/mol McGowan Calculated Property
Inp [2210.00; 2210.00]   Show Hide
Inp 2210.00 NIST
Inp 2210.00 NIST
Tboil 604.35 K Relay (1.0) Calculated Property
Tfus 337.69 K Relay (1.0) Calculated Property

Cheméo can also estimate 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 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 [384.39; 872.59] 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 A2.15950e+01
Coefficient B1.54476e+00
Coefficient C-8.27020e-04
Coefficient D1.33260e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 384.39 J/mol×K 273.00 Calculated Property
Cp,gas 470.49 J/mol×K 353.78 Calculated Property
Cp,gas 547.64 J/mol×K 434.56 Calculated Property
Cp,gas 616.27 J/mol×K 515.33 Calculated Property
Cp,gas 676.79 J/mol×K 596.11 Calculated Property
Cp,gas 729.63 J/mol×K 676.89 Calculated Property
Cp,gas 775.21 J/mol×K 757.67 Calculated Property
Cp,gas 813.95 J/mol×K 838.44 Calculated Property
Cp,gas 846.27 J/mol×K 919.22 Calculated Property
Cp,gas 872.60 J/mol×K 1000.00 Calculated Property

Similar Compounds

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

Find more compounds similar to L-Valine, N-(3,4-difluorobenzoyl)-, hexyl ester.

Sources

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