Chemical Properties of L-Valine, N-(2-trifluoromethylbenzoyl)-, dodecyl ester

L-Valine, N-(2-trifluoromethylbenzoyl)-, dodecyl ester

InChI
InChI=1S/C25H38F3NO3/c1-4-5-6-7-8-9-10-11-12-15-18-32-24(31)22(19(2)3)29-23(30)20-16-13-14-17-21(20)25(26,27)28/h13-14,16-17,19,22H,4-12,15,18H2,1-3H3,(H,29,30)
InChI Key
JTIJEKZCKRZUSM-UHFFFAOYSA-N
Formula
C25H38F3NO3
SMILES
CCCCCCCCCCCCOC(=O)C(NC(=O)c1ccccc1C(F)(F)F)C(C)C
Molecular Weight1
457.58
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Physical Properties

Property Value Unit Source
ΔfH°gas -1396.90 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 60.01 kJ/mol Joback Calculated Property
ΔvapH° 115.57 kJ/mol Relay (1.0) Calculated Property
log10WS -7.02 Relay (1.0) Calculated Property
logPoct/wat 6.924 Crippen Calculated Property
McVol 363.650 ml/mol McGowan Calculated Property
Pc 906.70 kPa Joback Calculated Property
Inp [2824.00; 2824.00]   Show Hide
Inp 2824.00 NIST
Inp 2824.00 NIST
Tboil 657.91 K Relay (1.0) Calculated Property
Tfus 361.56 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [537.07; 1245.31] 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-1.74490e+01
Coefficient B2.40686e+00
Coefficient C-1.46306e-03
Coefficient D3.18960e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 537.07 J/mol×K 273.00 Calculated Property
Cp,gas 665.05 J/mol×K 353.78 Calculated Property
Cp,gas 778.36 J/mol×K 434.56 Calculated Property
Cp,gas 878.00 J/mol×K 515.33 Calculated Property
Cp,gas 964.98 J/mol×K 596.11 Calculated Property
Cp,gas 1040.31 J/mol×K 676.89 Calculated Property
Cp,gas 1105.00 J/mol×K 757.67 Calculated Property
Cp,gas 1160.05 J/mol×K 838.44 Calculated Property
Cp,gas 1206.49 J/mol×K 919.22 Calculated Property
Cp,gas 1245.31 J/mol×K 1000.00 Calculated Property

Similar Compounds

L-Valine, N-(2-trifluoromethylbenzoyl)-, tridecyl ester. L-Valine, N-(2-trifluoromethylbenzoyl)-, octyl ester. L-Valine, N-(2-trifluoromethylbenzoyl)-, undecyl ester. L-Valine, N-(2-trifluoromethylbenzoyl)-, decyl ester. L-Valine, N-(2-trifluoromethylbenzoyl)-, pentadecyl ester. L-Valine, N-(2-trifluoromethylbenzoyl)-, heptyl ester. L-Valine, N-(2-trifluoromethylbenzoyl)-, nonyl ester. L-Valine, N-(2-trifluoromethylbenzoyl)-, hexyl ester. L-Valine, N-(2-trifluoromethylbenzoyl)-, pentyl ester. L-Valine, N-(2-trifluoromethylbenzoyl)-, butyl ester. L-Valine, N-(2-trifluoromethylbenzoyl)-, propyl ester. L-Valine, N-(2,5-ditrifluoromethylbenzoyl)-, heptadecyl ester. L-Valine, N-(2,5-ditrifluoromethylbenzoyl)-, decyl ester. L-Valine, N-(2,5-ditrifluoromethylbenzoyl)-, pentadecyl ester. L-Valine, N-(2,5-ditrifluoromethylbenzoyl)-, tetradecyl ester.

Find more compounds similar to L-Valine, N-(2-trifluoromethylbenzoyl)-, dodecyl ester.

Sources

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