Chemical Properties of L-Valine, N-(2,5-ditrifluoromethylbenzoyl)-, heptadecyl ester

L-Valine, N-(2,5-ditrifluoromethylbenzoyl)-, heptadecyl ester

InChI
InChI=1S/C31H47F6NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-41-29(40)27(23(2)3)38-28(39)25-22-24(30(32,33)34)19-20-26(25)31(35,36)37/h19-20,22-23,27H,4-18,21H2,1-3H3,(H,38,39)
InChI Key
LASHZNQDFNMKKY-UHFFFAOYSA-N
Formula
C31H47F6NO3
SMILES
CCCCCCCCCCCCCCCCCOC(=O)C(NC(=O)c1cc(C(F)(F)F)ccc1C(F)(F)F)C(C)C
Molecular Weight1
595.71
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Physical Properties

Property Value Unit Source
ΔfusH° 75.40 kJ/mol Joback Calculated Property
logPoct/wat 9.893 Crippen Calculated Property
McVol 453.500 ml/mol McGowan Calculated Property
Inp [3163.00; 3163.00]   Show Hide
Inp 3163.00 NIST
Inp 3163.00 NIST
Tboil 698.88 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 [1631.91; 1742.60] J/mol×K [1113.93; 1410.67] Show Hide
Cp,gas 1631.91 J/mol×K 1113.93 Joback Calculated Property
Cp,gas 1653.51 J/mol×K 1163.39 Joback Calculated Property
Cp,gas 1673.42 J/mol×K 1212.84 Joback Calculated Property
Cp,gas 1691.96 J/mol×K 1262.30 Joback Calculated Property
Cp,gas 1709.46 J/mol×K 1311.76 Joback Calculated Property
Cp,gas 1726.23 J/mol×K 1361.21 Joback Calculated Property
Cp,gas 1742.60 J/mol×K 1410.67 Joback Calculated Property

Similar Compounds

L-Valine, N-(2,5-ditrifluoromethylbenzoyl)-, hexyl ester. L-Valine, N-(2,5-ditrifluoromethylbenzoyl)-, hexadecyl ester. L-Valine, N-(2,5-ditrifluoromethylbenzoyl)-, decyl ester. L-Valine, N-(2,5-ditrifluoromethylbenzoyl)-, octyl ester. L-Valine, N-(2,5-ditrifluoromethylbenzoyl)-, heptyl ester. L-Valine, N-(2,5-ditrifluoromethylbenzoyl)-, octadecyl ester. L-Valine, N-(2,5-ditrifluoromethylbenzoyl)-, pentadecyl ester. L-Valine, N-(2,5-ditrifluoromethylbenzoyl)-, undecyl ester. L-Valine, N-(2,5-ditrifluoromethylbenzoyl)-, dodecyl ester. L-Valine, N-(2,5-ditrifluoromethylbenzoyl)-, tetradecyl ester. L-Valine, N-(2,5-ditrifluoromethylbenzoyl)-, pentyl ester. L-Valine, N-(2,5-ditrifluoromethylbenzoyl)-, butyl ester. L-Valine, N-(2,5-ditrifluoromethylbenzoyl)-, isohexyl ester. L-Valine, N-(2,5-ditrifluoromethylbenzoyl)-, propyl ester. L-Valine, N-(2-trifluoromethylbenzoyl)-, pentadecyl ester.

Find more compounds similar to L-Valine, N-(2,5-ditrifluoromethylbenzoyl)-, heptadecyl ester.

Sources

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