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

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

InChI
InChI=1S/C22H29F6NO3/c1-4-5-6-7-8-9-12-32-20(31)18(14(2)3)29-19(30)16-13-15(21(23,24)25)10-11-17(16)22(26,27)28/h10-11,13-14,18H,4-9,12H2,1-3H3,(H,29,30)
InChI Key
GUAQSMZZWDXZIZ-UHFFFAOYSA-N
Formula
C22H29F6NO3
SMILES
CCCCCCCCOC(=O)C(NC(=O)c1cc(C(F)(F)F)ccc1C(F)(F)F)C(C)C
Molecular Weight1
469.47
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Physical Properties

Property Value Unit Source
ΔfusH° 52.09 kJ/mol Joback Calculated Property
logPoct/wat 6.382 Crippen Calculated Property
McVol 326.690 ml/mol McGowan Calculated Property
Inp [2240.00; 2240.00]   Show Hide
Inp 2240.00 NIST
Inp 2240.00 NIST
Tboil 626.53 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 [1071.86; 1146.50] J/mol×K [908.01; 1111.70] Show Hide
Cp,gas 1071.86 J/mol×K 908.01 Joback Calculated Property
Cp,gas 1086.67 J/mol×K 941.96 Joback Calculated Property
Cp,gas 1100.42 J/mol×K 975.91 Joback Calculated Property
Cp,gas 1113.20 J/mol×K 1009.85 Joback Calculated Property
Cp,gas 1125.09 J/mol×K 1043.80 Joback Calculated Property
Cp,gas 1136.16 J/mol×K 1077.75 Joback Calculated Property
Cp,gas 1146.50 J/mol×K 1111.70 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)-, heptadecyl ester. L-Valine, N-(2,5-ditrifluoromethylbenzoyl)-, decyl 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)-, octyl ester.

Sources

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