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

l-Phenylalanine, n-pentafluoropropionyl-, octadecyl ester

InChI
InChI=1S/C30H46F5NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-39-27(37)26(24-25-21-18-17-19-22-25)36-28(38)29(31,32)30(33,34)35/h17-19,21-22,26H,2-16,20,23-24H2,1H3,(H,36,38)
InChI Key
UJNQVBXSVXIMAN-UHFFFAOYSA-N
Formula
C30H46F5NO3
SMILES
CCCCCCCCCCCCCCCCCCOC(=O)C(Cc1ccccc1)NC(=O)C(F)(F)C(F)(F)F
Molecular Weight1
563.68
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Physical Properties

Property Value Unit Source
ΔfusH° 75.61 kJ/mol Joback Calculated Property
log10WS -8.71 Relay (1.0) Calculated Property
logPoct/wat 8.716 Crippen Calculated Property
McVol 437.640 ml/mol McGowan Calculated Property
Pc 669.42 kPa Joback Calculated Property
Inp 3235.00 NIST
Tboil 688.62 K Relay (1.0) Calculated Property
Tfus 340.23 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 [655.84; 1521.38] 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-4.69020e+01
Coefficient B3.08482e+00
Coefficient C-2.00350e-03
Coefficient D4.86960e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 655.84 J/mol×K 273.00 Calculated Property
Cp,gas 815.25 J/mol×K 353.78 Calculated Property
Cp,gas 955.25 J/mol×K 434.56 Calculated Property
Cp,gas 1077.39 J/mol×K 515.33 Calculated Property
Cp,gas 1183.20 J/mol×K 596.11 Calculated Property
Cp,gas 1274.24 J/mol×K 676.89 Calculated Property
Cp,gas 1352.04 J/mol×K 757.67 Calculated Property
Cp,gas 1418.13 J/mol×K 838.44 Calculated Property
Cp,gas 1474.07 J/mol×K 919.22 Calculated Property
Cp,gas 1521.38 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-, heptadecyl 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-, octadecyl ester.

Sources

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