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° 53.67 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

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [499.12; 1110.18] 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-6.62300e+00
Coefficient B2.22356e+00
Coefficient C-1.45382e-03
Coefficient D3.47060e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 499.12 J/mol×K 273.00 Calculated Property
Cp,gas 613.43 J/mol×K 353.78 Calculated Property
Cp,gas 713.58 J/mol×K 434.56 Calculated Property
Cp,gas 800.66 J/mol×K 515.33 Calculated Property
Cp,gas 875.77 J/mol×K 596.11 Calculated Property
Cp,gas 940.01 J/mol×K 676.89 Calculated Property
Cp,gas 994.47 J/mol×K 757.67 Calculated Property
Cp,gas 1040.25 J/mol×K 838.44 Calculated Property
Cp,gas 1078.46 J/mol×K 919.22 Calculated Property
Cp,gas 1110.18 J/mol×K 1000.00 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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