Chemical Properties of L-Valine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, hexadecyl ester

L-Valine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, hexadecyl ester

InChI
InChI=1S/C29H45F4NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-37-28(36)26(22(2)3)34-27(35)23-19-18-20-24(25(23)30)29(31,32)33/h18-20,22,26H,4-17,21H2,1-3H3,(H,34,35)
InChI Key
ABPCDLZDXOQOFJ-UHFFFAOYSA-N
Formula
C29H45F4NO3
SMILES
CCCCCCCCCCCCCCCCOC(=O)C(NC(=O)c1cccc(C(F)(F)F)c1F)C(C)C
Molecular Weight1
531.67
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Physical Properties

Property Value Unit Source
ΔfusH° 73.06 kJ/mol Joback Calculated Property
log10WS -8.56 Relay (1.0) Calculated Property
logPoct/wat 8.623 Crippen Calculated Property
McVol 421.780 ml/mol McGowan Calculated Property
Pc 705.46 kPa Joback Calculated Property
Inp [3150.00; 3150.00]   Show Hide
Inp 3150.00 NIST
Inp 3150.00 NIST
Tboil 690.38 K Relay (1.0) Calculated Property
Tfus 366.90 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 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 [632.68; 1455.71] 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-6.95000e-01
Coefficient B2.73916e+00
Coefficient C-1.63002e-03
Coefficient D3.47260e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 632.68 J/mol×K 273.00 Calculated Property
Cp,gas 779.72 J/mol×K 353.78 Calculated Property
Cp,gas 910.31 J/mol×K 434.56 Calculated Property
Cp,gas 1025.53 J/mol×K 515.33 Calculated Property
Cp,gas 1126.48 J/mol×K 596.11 Calculated Property
Cp,gas 1214.27 J/mol×K 676.89 Calculated Property
Cp,gas 1289.99 J/mol×K 757.67 Calculated Property
Cp,gas 1354.73 J/mol×K 838.44 Calculated Property
Cp,gas 1409.61 J/mol×K 919.22 Calculated Property
Cp,gas 1455.70 J/mol×K 1000.00 Calculated Property

Similar Compounds

L-Valine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, tetradecyl ester. L-Valine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, heptadecyl ester. L-Valine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, undecyl ester. L-Valine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, heptyl ester. L-Valine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, octadecyl ester. L-Valine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, pentadecyl ester. L-Valine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, nonyl ester. L-Valine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, hexyl ester. L-Valine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, decyl ester. L-Valine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, dodecyl ester. L-Valine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, octyl ester. L-Valine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, isohexyl ester. L-Valine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, propyl ester. L-Valine, N-(2-fluoro-5-trifluoromethylbenzoyl)-, octyl ester. L-Valine, N-(2-fluoro-5-trifluoromethylbenzoyl)-, heptadecyl ester.

Find more compounds similar to L-Valine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, hexadecyl ester.

Sources

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