Chemical Properties of L-Valine, N-(3-methoxy-2,4,5-trifluorobenzoyl)-, heptyl ester

L-Valine, N-(3-methoxy-2,4,5-trifluorobenzoyl)-, heptyl ester

InChI
InChI=1S/C20H28F3NO4/c1-5-6-7-8-9-10-28-20(26)17(12(2)3)24-19(25)13-11-14(21)16(23)18(27-4)15(13)22/h11-12,17H,5-10H2,1-4H3,(H,24,25)
InChI Key
IUQQNBMCZAMLQD-UHFFFAOYSA-N
Formula
C20H28F3NO4
SMILES
CCCCCCCOC(=O)C(NC(=O)c1cc(F)c(F)c(OC)c1F)C(C)C
Molecular Weight1
403.44
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Physical Properties

Property Value Unit Source
ΔfusH° 54.49 kJ/mol Joback Calculated Property
logPoct/wat 4.381 Crippen Calculated Property
McVol 299.070 ml/mol McGowan Calculated Property
Inp [2451.00; 2451.00]   Show Hide
Inp 2451.00 NIST
Inp 2451.00 NIST
Tboil 620.89 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 [455.52; 995.27] 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 A7.99660e+01
Coefficient B1.56438e+00
Coefficient C-7.07140e-04
Coefficient D5.80600e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 455.52 J/mol×K 273.00 Calculated Property
Cp,gas 547.47 J/mol×K 353.78 Calculated Property
Cp,gas 631.01 J/mol×K 434.56 Calculated Property
Cp,gas 706.29 J/mol×K 515.33 Calculated Property
Cp,gas 773.53 J/mol×K 596.11 Calculated Property
Cp,gas 832.89 J/mol×K 676.89 Calculated Property
Cp,gas 884.56 J/mol×K 757.67 Calculated Property
Cp,gas 928.72 J/mol×K 838.44 Calculated Property
Cp,gas 965.56 J/mol×K 919.22 Calculated Property
Cp,gas 995.27 J/mol×K 1000.00 Calculated Property

Similar Compounds

L-Valine, N-(3-methoxy-2,4,5-trifluorobenzoyl)-, tetradecyl ester. L-Valine, N-(3-methoxy-2,4,5-trifluorobenzoyl)-, pentadecyl ester. L-Valine, N-(3-methoxy-2,4,5-trifluorobenzoyl)-, undecyl ester. L-Valine, N-(3-methoxy-2,4,5-trifluorobenzoyl)-, decyl ester. L-Valine, N-(3-methoxy-2,4,5-trifluorobenzoyl)-, hexadecyl ester. L-Valine, N-(3-methoxy-2,4,5-trifluorobenzoyl)-, octadecyl ester. L-Valine, N-(3-methoxy-2,4,5-trifluorobenzoyl)-, heptadecyl ester. L-Valine, N-(3-methoxy-2,4,5-trifluorobenzoyl)-, butyl ester. L-Valine, N-(3-methoxy-2,4,5-trifluorobenzoyl)-, isohexyl ester. L-Valine, N-(2,5-difluorobenzoyl)-, pentadecyl ester. L-Valine, N-(2,5-difluorobenzoyl)-, heptadecyl ester. L-Valine, N-(2,5-difluorobenzoyl)-, hexadecyl ester. L-Valine, N-(2,5-difluorobenzoyl)-, tetradecyl ester. L-Valine, N-(2,5-difluorobenzoyl)-, octadecyl ester. L-Valine, N-(2,5-difluorobenzoyl)-, pentyl ester.

Find more compounds similar to L-Valine, N-(3-methoxy-2,4,5-trifluorobenzoyl)-, heptyl ester.

Sources

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