Chemical Properties of l-Phenylalanine, n-pentafluoropropionyl-, heptadecyl ester

l-Phenylalanine, n-pentafluoropropionyl-, heptadecyl ester

InChI
InChI=1S/C29H44F5NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-38-26(36)25(23-24-20-17-16-18-21-24)35-27(37)28(30,31)29(32,33)34/h16-18,20-21,25H,2-15,19,22-23H2,1H3,(H,35,37)
InChI Key
DYEVCFBWRFGXBK-UHFFFAOYSA-N
Formula
C29H44F5NO3
SMILES
CCCCCCCCCCCCCCCCCOC(=O)C(Cc1ccccc1)NC(=O)C(F)(F)C(F)(F)F
Molecular Weight1
549.66
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Physical Properties

Property Value Unit Source
ΔfusH° 73.02 kJ/mol Joback Calculated Property
log10WS -8.44 Relay (1.0) Calculated Property
logPoct/wat 8.326 Crippen Calculated Property
McVol 423.550 ml/mol McGowan Calculated Property
Pc 703.96 kPa Joback Calculated Property
Inp [3055.00; 3055.00]   Show Hide
Inp 3055.00 NIST
Inp 3055.00 NIST
Tboil 681.50 K Relay (1.0) Calculated Property
Tfus 338.65 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 [634.63; 1469.79] 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-4.59930e+01
Coefficient B2.98982e+00
Coefficient C-1.94910e-03
Coefficient D4.75060e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 634.63 J/mol×K 273.00 Calculated Property
Cp,gas 788.83 J/mol×K 353.78 Calculated Property
Cp,gas 924.17 J/mol×K 434.56 Calculated Property
Cp,gas 1042.16 J/mol×K 515.33 Calculated Property
Cp,gas 1144.29 J/mol×K 596.11 Calculated Property
Cp,gas 1232.08 J/mol×K 676.89 Calculated Property
Cp,gas 1307.02 J/mol×K 757.67 Calculated Property
Cp,gas 1370.62 J/mol×K 838.44 Calculated Property
Cp,gas 1424.37 J/mol×K 919.22 Calculated Property
Cp,gas 1469.79 J/mol×K 1000.00 Calculated Property

Similar Compounds

L-Phenylalanine, N-pentafluoropropionyl-, nonyl ester. l-Phenylalanine, n-pentafluoropropionyl-, decyl ester. l-Phenylalanine, n-pentafluoropropionyl-, dodecyl ester. l-Phenylalanine, n-pentafluoropropionyl-, heptyl ester. l-Phenylalanine, n-pentafluoropropionyl-, pentadecyl ester. l-Phenylalanine, n-pentafluoropropionyl-, undecyl ester. l-Phenylalanine, n-pentafluoropropionyl-, octadecyl ester. l-Phenylalanine, n-pentafluoropropionyl-, hexadecyl ester. l-Phenylalanine, n-pentafluoropropionyl-, tetradecyl ester. l-Phenylalanine, n-pentafluoropropionyl-, octyl ester. L-Phenylalanine, N-pentafluoropropionyl-, butyl ester. l-Phenylalanine, n-heptafluorobutyryl-, dodecyl ester. l-Phenylalanine, n-heptafluorobutyryl-, tetradecyl ester. l-Phenylalanine, n-heptafluorobutyryl-, undecyl ester. l-Phenylalanine, n-heptafluorobutyryl-, decyl ester.

Find more compounds similar to l-Phenylalanine, n-pentafluoropropionyl-, heptadecyl ester.

Sources

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