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

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

InChI
InChI=1S/C21H27F6NO3/c1-4-5-6-7-8-11-31-19(30)17(13(2)3)28-18(29)15-12-14(20(22,23)24)9-10-16(15)21(25,26)27/h9-10,12-13,17H,4-8,11H2,1-3H3,(H,28,29)
InChI Key
PUYZHODXUKTUER-UHFFFAOYSA-N
Formula
C21H27F6NO3
SMILES
CCCCCCCOC(=O)C(NC(=O)c1cc(C(F)(F)F)ccc1C(F)(F)F)C(C)C
Molecular Weight1
455.44
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Physical Properties

Property Value Unit Source
ΔfusH° 49.50 kJ/mol Joback Calculated Property
logPoct/wat 5.992 Crippen Calculated Property
McVol 312.600 ml/mol McGowan Calculated Property
Inp [2148.00; 2148.00]   Show Hide
Inp 2148.00 NIST
Inp 2148.00 NIST
Tboil 617.50 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 [1012.43; 1084.94] J/mol×K [885.13; 1084.42] Show Hide
Cp,gas 1012.43 J/mol×K 885.13 Joback Calculated Property
Cp,gas 1026.81 J/mol×K 918.35 Joback Calculated Property
Cp,gas 1040.17 J/mol×K 951.56 Joback Calculated Property
Cp,gas 1052.60 J/mol×K 984.78 Joback Calculated Property
Cp,gas 1064.15 J/mol×K 1017.99 Joback Calculated Property
Cp,gas 1074.91 J/mol×K 1051.21 Joback Calculated Property
Cp,gas 1084.94 J/mol×K 1084.42 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)-, octyl 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)-, heptyl ester.

Sources

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