Chemical Properties of L-Valine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, heptyl ester

L-Valine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, heptyl ester

InChI
InChI=1S/C20H27F4NO3/c1-4-5-6-7-8-12-28-19(27)17(13(2)3)25-18(26)14-10-9-11-15(16(14)21)20(22,23)24/h9-11,13,17H,4-8,12H2,1-3H3,(H,25,26)
InChI Key
VAZYUMFUEUPUHL-UHFFFAOYSA-N
Formula
C20H27F4NO3
SMILES
CCCCCCCOC(=O)C(NC(=O)c1cccc(C(F)(F)F)c1F)C(C)C
Molecular Weight1
405.43
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Physical Properties

Property Value Unit Source
ΔfusH° 49.75 kJ/mol Joback Calculated Property
log10WS -6.03 Relay (1.0) Calculated Property
logPoct/wat 5.113 Crippen Calculated Property
McVol 294.970 ml/mol McGowan Calculated Property
Pc 1188.24 kPa Joback Calculated Property
Inp [2255.00; 2255.00]   Show Hide
Inp 2255.00 NIST
Inp 2255.00 NIST
Tboil 620.35 K Relay (1.0) Calculated Property
Tfus 359.00 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [932.12; 1004.86] J/mol×K [849.07; 1044.07] Show Hide
Cp,gas 932.12 J/mol×K 849.07 Joback Calculated Property
Cp,gas 946.75 J/mol×K 881.57 Joback Calculated Property
Cp,gas 960.31 J/mol×K 914.07 Joback Calculated Property
Cp,gas 972.85 J/mol×K 946.57 Joback Calculated Property
Cp,gas 984.42 J/mol×K 979.07 Joback Calculated Property
Cp,gas 995.08 J/mol×K 1011.57 Joback Calculated Property
Cp,gas 1004.86 J/mol×K 1044.07 Joback Calculated Property

Similar Compounds

L-Valine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, tetradecyl ester. L-Valine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, heptadecyl ester. L-Valine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, undecyl ester. L-Valine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, hexadecyl ester. L-Valine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, octadecyl ester. L-Valine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, pentadecyl ester. L-Valine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, nonyl ester. L-Valine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, hexyl ester. L-Valine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, decyl ester. L-Valine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, dodecyl ester. L-Valine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, octyl ester. L-Valine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, isohexyl ester. L-Valine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, propyl ester. L-Valine, N-(2-fluoro-5-trifluoromethylbenzoyl)-, octyl ester. L-Valine, N-(2-fluoro-5-trifluoromethylbenzoyl)-, heptadecyl ester.

Find more compounds similar to L-Valine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, heptyl ester.

Sources

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