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

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

InChI
InChI=1S/C31H49F4NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-39-30(38)28(24(2)3)36-29(37)25-21-20-22-26(27(25)32)31(33,34)35/h20-22,24,28H,4-19,23H2,1-3H3,(H,36,37)
InChI Key
SVMSVINXLCDQPA-UHFFFAOYSA-N
Formula
C31H49F4NO3
SMILES
CCCCCCCCCCCCCCCCCCOC(=O)C(NC(=O)c1cccc(C(F)(F)F)c1F)C(C)C
Molecular Weight1
559.72
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Physical Properties

Property Value Unit Source
ΔfusH° 78.24 kJ/mol Joback Calculated Property
log10WS -9.09 Relay (1.0) Calculated Property
logPoct/wat 9.404 Crippen Calculated Property
McVol 449.960 ml/mol McGowan Calculated Property
Pc 638.66 kPa Joback Calculated Property
Inp [3362.00; 3362.00]   Show Hide
Inp 3362.00 NIST
Inp 3362.00 NIST
Tboil 704.47 K Relay (1.0) Calculated Property
Tfus 369.57 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 [1609.81; 1704.69] J/mol×K [1100.75; 1384.81] Show Hide
Cp,gas 1609.81 J/mol×K 1100.75 Joback Calculated Property
Cp,gas 1630.00 J/mol×K 1148.09 Joback Calculated Property
Cp,gas 1648.12 J/mol×K 1195.44 Joback Calculated Property
Cp,gas 1664.42 J/mol×K 1242.78 Joback Calculated Property
Cp,gas 1679.12 J/mol×K 1290.13 Joback Calculated Property
Cp,gas 1692.47 J/mol×K 1337.47 Joback Calculated Property
Cp,gas 1704.69 J/mol×K 1384.81 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)-, 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)-, octadecyl ester.

Sources

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