Chemical Properties of l-Phenylalanine, n-heptafluorobutyryl-, propyl ester

l-Phenylalanine, n-heptafluorobutyryl-, propyl ester

InChI
InChI=1S/C16H16F7NO3/c1-2-8-27-12(25)11(9-10-6-4-3-5-7-10)24-13(26)14(17,18)15(19,20)16(21,22)23/h3-7,11H,2,8-9H2,1H3,(H,24,26)
InChI Key
BENJCXJHHRAYLJ-UHFFFAOYSA-N
Formula
C16H16F7NO3
SMILES
CCCOC(=O)C(Cc1ccccc1)NC(=O)C(F)(F)C(F)(F)C(F)(F)F
Molecular Weight1
403.29
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Physical Properties

Property Value Unit Source
ΔfusH° 38.10 kJ/mol Joback Calculated Property
log10WS -5.02 Relay (1.0) Calculated Property
logPoct/wat 3.500 Crippen Calculated Property
McVol 243.920 ml/mol McGowan Calculated Property
Inp [1647.00; 1647.00]   Show Hide
Inp 1647.00 NIST
Inp 1647.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, 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 [373.79; 814.71] 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-4.64670e+01
Coefficient B1.90422e+00
Coefficient C-1.44650e-03
Coefficient D4.03460e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 373.79 J/mol×K 273.00 Calculated Property
Cp,gas 464.03 J/mol×K 353.78 Calculated Property
Cp,gas 540.98 J/mol×K 434.56 Calculated Property
Cp,gas 605.91 J/mol×K 515.33 Calculated Property
Cp,gas 660.11 J/mol×K 596.11 Calculated Property
Cp,gas 704.85 J/mol×K 676.89 Calculated Property
Cp,gas 741.40 J/mol×K 757.67 Calculated Property
Cp,gas 771.05 J/mol×K 838.44 Calculated Property
Cp,gas 795.06 J/mol×K 919.22 Calculated Property
Cp,gas 814.71 J/mol×K 1000.00 Calculated Property

Similar Compounds

l-Phenylalanine, n-heptafluorobutyryl-, butyl ester. L-phenylalanine, n-heptafluorobutyryl-, ethyl ester. l-Phenylalanine, n-heptafluorobutyryl-, pentyl ester. l-Phenylalanine, n-heptafluorobutyryl-, hexyl ester. l-Phenylalanine, n-heptafluorobutyryl-, heptadecyl ester. l-Phenylalanine, n-heptafluorobutyryl-, octadecyl ester. l-Phenylalanine, n-heptafluorobutyryl-, dodecyl ester. l-Phenylalanine, n-heptafluorobutyryl-, tetradecyl ester. l-Phenylalanine, n-heptafluorobutyryl-, decyl ester. L-Phenylalanine, N-heptafluorobutyryl-, hexadecyl ester. l-Phenylalanine, n-heptafluorobutyryl-, undecyl ester. L-Phenylalanine, N-heptafluorobutyryl-, nonyl ester. L-Phenylalanine, N-heptafluorobutyryl-, pentadecyl ester. l-Phenylalanine, n-heptafluorobutyryl-, isohexyl ester. l-Phenylalanine, n-pentafluoropropionyl-, propyl ester.

Find more compounds similar to l-Phenylalanine, n-heptafluorobutyryl-, propyl ester.

Sources

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