Chemical Properties of L-Valine, N-(3-trifluoromethylbenzoyl)-, nonyl ester

L-Valine, N-(3-trifluoromethylbenzoyl)-, nonyl ester

InChI
InChI=1S/C22H32F3NO3/c1-4-5-6-7-8-9-10-14-29-21(28)19(16(2)3)26-20(27)17-12-11-13-18(15-17)22(23,24)25/h11-13,15-16,19H,4-10,14H2,1-3H3,(H,26,27)
InChI Key
RNWMXMVFTXUHIU-UHFFFAOYSA-N
Formula
C22H32F3NO3
SMILES
CCCCCCCCCOC(=O)C(NC(=O)c1cccc(C(F)(F)F)c1)C(C)C
Molecular Weight1
415.49
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Physical Properties

Property Value Unit Source
ΔfusH° 52.23 kJ/mol Joback Calculated Property
logPoct/wat 5.754 Crippen Calculated Property
McVol 321.380 ml/mol McGowan Calculated Property
Pc 1087.06 kPa Joback Calculated Property
Inp [2462.00; 2462.00]   Show Hide
Inp 2462.00 NIST
Inp 2462.00 NIST
Tboil 638.30 K Relay (1.0) Calculated Property
Tfus 357.22 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, 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [473.43; 1090.54] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-1.47220e+01
Coefficient B2.12186e+00
Coefficient C-1.29986e-03
Coefficient D2.83260e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 473.43 J/mol×K 273.00 Calculated Property
Cp,gas 585.80 J/mol×K 353.78 Calculated Property
Cp,gas 685.12 J/mol×K 434.56 Calculated Property
Cp,gas 772.31 J/mol×K 515.33 Calculated Property
Cp,gas 848.24 J/mol×K 596.11 Calculated Property
Cp,gas 913.82 J/mol×K 676.89 Calculated Property
Cp,gas 969.95 J/mol×K 757.67 Calculated Property
Cp,gas 1017.51 J/mol×K 838.44 Calculated Property
Cp,gas 1057.41 J/mol×K 919.22 Calculated Property
Cp,gas 1090.54 J/mol×K 1000.00 Calculated Property

Similar Compounds

L-Valine, N-(3-trifluoromethylbenzoyl)-, dodecyl ester. L-Valine, N-(3-trifluoromethylbenzoyl)-, hexyl ester. L-Valine, N-(3-trifluoromethylbenzoyl)-, pentadecyl ester. L-Valine, N-(3-trifluoromethylbenzoyl)-, undecyl ester. L-Valine, N-(3-trifluoromethylbenzoyl)-, tetradecyl ester. L-Valine, N-(3-trifluoromethylbenzoyl)-, octadecyl ester. L-Valine, N-(3-trifluoromethylbenzoyl)-, eicosyl ester. L-Valine, N-(3-trifluoromethylbenzoyl)-, heptyl ester. L-Valine, N-(3-trifluoromethylbenzoyl)-, nonadecyl ester. L-Valine, N-(3-trifluoromethylbenzoyl)-, heptadecyl ester. L-Valine, N-(3-trifluoromethylbenzoyl)-, tridecyl ester. L-Valine, N-(3-trifluoromethylbenzoyl)-, decyl ester. L-Valine, N-(3-trifluoromethylbenzoyl)-, hexadecyl ester. L-Valine, N-(3-trifluoromethylbenzoyl)-, pentyl ester. L-Valine, N-(3-trifluoromethylbenzoyl)-, butyl ester.

Find more compounds similar to L-Valine, N-(3-trifluoromethylbenzoyl)-, nonyl ester.

Sources

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