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

L-Valine, N-(4-fluoro-2-trifluoromethylbenzoyl)-, pentadecyl ester

InChI
InChI=1S/C28H43F4NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-36-27(35)25(21(2)3)33-26(34)23-18-17-22(29)20-24(23)28(30,31)32/h17-18,20-21,25H,4-16,19H2,1-3H3,(H,33,34)
InChI Key
ZKAFTTZBFNNJPB-UHFFFAOYSA-N
Formula
C28H43F4NO3
SMILES
CCCCCCCCCCCCCCCOC(=O)C(NC(=O)c1ccc(F)cc1C(F)(F)F)C(C)C
Molecular Weight1
517.64
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Physical Properties

Property Value Unit Source
ΔfusH° 70.47 kJ/mol Joback Calculated Property
logPoct/wat 8.233 Crippen Calculated Property
McVol 407.690 ml/mol McGowan Calculated Property
Inp [3047.00; 3047.00]   Show Hide
Inp 3047.00 NIST
Inp 3047.00 NIST
Tboil 682.07 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 [611.46; 1404.11] 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 A2.14000e-01
Coefficient B2.64416e+00
Coefficient C-1.57562e-03
Coefficient D3.35360e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 611.46 J/mol×K 273.00 Calculated Property
Cp,gas 753.31 J/mol×K 353.78 Calculated Property
Cp,gas 879.23 J/mol×K 434.56 Calculated Property
Cp,gas 990.30 J/mol×K 515.33 Calculated Property
Cp,gas 1087.57 J/mol×K 596.11 Calculated Property
Cp,gas 1172.11 J/mol×K 676.89 Calculated Property
Cp,gas 1244.97 J/mol×K 757.67 Calculated Property
Cp,gas 1307.22 J/mol×K 838.44 Calculated Property
Cp,gas 1359.91 J/mol×K 919.22 Calculated Property
Cp,gas 1404.11 J/mol×K 1000.00 Calculated Property

Similar Compounds

L-Valine, N-(4-fluoro-2-trifluoromethylbenzoyl)-, heptadecyl ester. L-Valine, N-(4-fluoro-2-trifluoromethylbenzoyl)-, hexyl ester. L-Valine, N-(4-fluoro-2-trifluoromethylbenzoyl)-, octyl ester. L-Valine, N-(4-fluoro-2-trifluoromethylbenzoyl)-, decyl ester. L-Valine, N-(4-fluoro-2-trifluoromethylbenzoyl)-, nonyl ester. L-Valine, N-(4-fluoro-2-trifluoromethylbenzoyl)-, heptyl ester. L-Valine, N-(4-fluoro-2-trifluoromethylbenzoyl)-, undecyl ester. L-Valine, N-(4-fluoro-2-trifluoromethylbenzoyl)-, tetradecyl ester. L-Valine, N-(4-fluoro-2-trifluoromethylbenzoyl)-, octadecyl ester. L-Valine, N-(4-fluoro-2-trifluoromethylbenzoyl)-, dodecyl ester. L-Valine, N-(4-fluoro-2-trifluoromethylbenzoyl)-, pentyl ester. L-Valine, N-(4-fluoro-2-trifluoromethylbenzoyl)-, butyl ester. L-Valine, N-(5-fluoro-2-trifluoromethyl)-, dodecyl ester. L-Valine, N-(5-fluoro-2-trifluoromethyl)-, pentadecyl ester. L-Valine, N-(5-fluoro-2-trifluoromethyl)-, hexyl ester.

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

Sources

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