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

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

InChI
InChI=1S/C21H29F4NO3/c1-4-5-6-7-8-9-13-29-20(28)18(14(2)3)26-19(27)15-11-10-12-16(17(15)22)21(23,24)25/h10-12,14,18H,4-9,13H2,1-3H3,(H,26,27)
InChI Key
LBGHIBAOKQEEHN-UHFFFAOYSA-N
Formula
C21H29F4NO3
SMILES
CCCCCCCCOC(=O)C(NC(=O)c1cccc(C(F)(F)F)c1F)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
log10WS -6.33 Relay (1.0) Calculated Property
logPoct/wat 5.503 Crippen Calculated Property
McVol 309.060 ml/mol McGowan Calculated Property
Pc 1113.34 kPa Joback Calculated Property
Inp [2350.00; 2350.00]   Show Hide
Inp 2350.00 NIST
Inp 2350.00 NIST
Tboil 629.10 K Relay (1.0) Calculated Property
Tfus 359.84 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 [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-(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)-, heptyl 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)-, 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)-, octyl ester.

Sources

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