Chemical Properties of L-Valine, N-(5-fluoro-2-trifluoromethyl)-, octadecyl ester

L-Valine, N-(5-fluoro-2-trifluoromethyl)-, octadecyl ester

InChI
InChI=1S/C31H49F4NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-39-30(38)28(24(2)3)36-29(37)26-23-25(32)20-21-27(26)31(33,34)35/h20-21,23-24,28H,4-19,22H2,1-3H3,(H,36,37)
InChI Key
XKZWYJAYBYIJNH-UHFFFAOYSA-N
Formula
C31H49F4NO3
SMILES
CCCCCCCCCCCCCCCCCCOC(=O)C(NC(=O)c1cc(F)ccc1C(F)(F)F)C(C)C
Molecular Weight1
559.72
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Physical Properties

Property Value Unit Source
ΔfusH° 78.24 kJ/mol Joback Calculated Property
logPoct/wat 9.404 Crippen Calculated Property
McVol 449.960 ml/mol McGowan Calculated Property
Inp [3355.00; 3355.00]   Show Hide
Inp 3355.00 NIST
Inp 3355.00 NIST
Tboil 703.63 K Relay (1.0) Calculated Property

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [675.10; 1558.89] 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-2.51300e+00
Coefficient B2.92916e+00
Coefficient C-1.73882e-03
Coefficient D3.71060e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 675.10 J/mol×K 273.00 Calculated Property
Cp,gas 832.56 J/mol×K 353.78 Calculated Property
Cp,gas 972.46 J/mol×K 434.56 Calculated Property
Cp,gas 1095.99 J/mol×K 515.33 Calculated Property
Cp,gas 1204.31 J/mol×K 596.11 Calculated Property
Cp,gas 1298.59 J/mol×K 676.89 Calculated Property
Cp,gas 1380.02 J/mol×K 757.67 Calculated Property
Cp,gas 1449.76 J/mol×K 838.44 Calculated Property
Cp,gas 1508.99 J/mol×K 919.22 Calculated Property
Cp,gas 1558.89 J/mol×K 1000.00 Calculated Property

Similar Compounds

L-Valine, N-(5-fluoro-2-trifluoromethyl)-, undecyl ester. L-Valine, N-(5-fluoro-2-trifluoromethyl)-, tetradecyl ester. L-Valine, N-(5-fluoro-2-trifluoromethyl)-, pentadecyl ester. L-Valine, N-(5-fluoro-2-trifluoromethyl)-, dodecyl ester. L-Valine, N-(5-fluoro-2-trifluoromethyl)-, hexadecyl ester. L-Valine, N-(5-fluoro-2-trifluoromethyl)-, heptadecyl ester. L-Valine, N-(5-fluoro-2-trifluoromethyl)-, hexyl ester. L-Valine, N-(5-fluoro-2-trifluoromethyl)-, pentyl ester. L-Valine, N-(5-fluoro-2-trifluoromethyl)-, butyl ester. L-Valine, N-(4-fluoro-2-trifluoromethylbenzoyl)-, pentadecyl ester. L-Valine, N-(4-fluoro-2-trifluoromethylbenzoyl)-, tetradecyl ester. L-Valine, N-(4-fluoro-2-trifluoromethylbenzoyl)-, hexyl ester. L-Valine, N-(4-fluoro-2-trifluoromethylbenzoyl)-, octyl ester. L-Valine, N-(4-fluoro-2-trifluoromethylbenzoyl)-, heptyl ester. L-Valine, N-(4-fluoro-2-trifluoromethylbenzoyl)-, dodecyl ester.

Find more compounds similar to L-Valine, N-(5-fluoro-2-trifluoromethyl)-, octadecyl ester.

Sources

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