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

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

InChI
InChI=1S/C21H29F4NO3/c1-4-5-6-7-8-9-12-29-20(28)18(14(2)3)26-19(27)16-11-10-15(22)13-17(16)21(23,24)25/h10-11,13-14,18H,4-9,12H2,1-3H3,(H,26,27)
InChI Key
NAAFFJIRTSFLNH-UHFFFAOYSA-N
Formula
C21H29F4NO3
SMILES
CCCCCCCCOC(=O)C(NC(=O)c1ccc(F)cc1C(F)(F)F)C(C)C
Molecular Weight1
419.45
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Physical Properties

Property Value Unit Source
ΔfusH° 52.34 kJ/mol Joback Calculated Property
logPoct/wat 5.503 Crippen Calculated Property
McVol 309.060 ml/mol McGowan Calculated Property
Inp [2344.00; 2344.00]   Show Hide
Inp 2344.00 NIST
Inp 2344.00 NIST
Tboil 627.78 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [990.99; 1065.03] J/mol×K [871.95; 1069.70] Show Hide
Cp,gas 990.99 J/mol×K 871.95 Joback Calculated Property
Cp,gas 1005.92 J/mol×K 904.91 Joback Calculated Property
Cp,gas 1019.74 J/mol×K 937.87 Joback Calculated Property
Cp,gas 1032.51 J/mol×K 970.83 Joback Calculated Property
Cp,gas 1044.28 J/mol×K 1003.78 Joback Calculated Property
Cp,gas 1055.10 J/mol×K 1036.74 Joback Calculated Property
Cp,gas 1065.03 J/mol×K 1069.70 Joback Calculated Property

Similar Compounds

L-Valine, N-(4-fluoro-2-trifluoromethylbenzoyl)-, heptadecyl ester. L-Valine, N-(4-fluoro-2-trifluoromethylbenzoyl)-, pentadecyl ester. L-Valine, N-(4-fluoro-2-trifluoromethylbenzoyl)-, hexyl 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)-, octyl ester.

Sources

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