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

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

InChI
InChI=1S/C30H47F4NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-38-29(37)27(23(2)3)35-28(36)24-20-19-21-25(26(24)31)30(32,33)34/h19-21,23,27H,4-18,22H2,1-3H3,(H,35,36)
InChI Key
XUTXJSFAUWAQAZ-UHFFFAOYSA-N
Formula
C30H47F4NO3
SMILES
CCCCCCCCCCCCCCCCCOC(=O)C(NC(=O)c1cccc(C(F)(F)F)c1F)C(C)C
Molecular Weight1
545.69
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Physical Properties

Property Value Unit Source
ΔfusH° 75.65 kJ/mol Joback Calculated Property
log10WS -8.83 Relay (1.0) Calculated Property
logPoct/wat 9.014 Crippen Calculated Property
McVol 435.870 ml/mol McGowan Calculated Property
Pc 670.81 kPa Joback Calculated Property
Inp [3258.00; 3258.00]   Show Hide
Inp 3258.00 NIST
Inp 3258.00 NIST
Tboil 697.50 K Relay (1.0) Calculated Property
Tfus 368.24 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 [1546.05; 1637.61] J/mol×K [1077.87; 1347.15] Show Hide
Cp,gas 1546.05 J/mol×K 1077.87 Joback Calculated Property
Cp,gas 1565.44 J/mol×K 1122.75 Joback Calculated Property
Cp,gas 1582.92 J/mol×K 1167.63 Joback Calculated Property
Cp,gas 1598.68 J/mol×K 1212.51 Joback Calculated Property
Cp,gas 1612.92 J/mol×K 1257.39 Joback Calculated Property
Cp,gas 1625.83 J/mol×K 1302.27 Joback Calculated Property
Cp,gas 1637.61 J/mol×K 1347.15 Joback Calculated Property

Similar Compounds

L-Valine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, tetradecyl 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)-, 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)-, heptadecyl ester.

Sources

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