Chemical Properties of L-Phenylalanine, N-pentafluoropropionyl-, isohexyl ester

L-Phenylalanine, N-pentafluoropropionyl-, isohexyl ester

InChI
InChI=1S/C18H22F5NO3/c1-12(2)7-6-10-27-15(25)14(11-13-8-4-3-5-9-13)24-16(26)17(19,20)18(21,22)23/h3-5,8-9,12,14H,6-7,10-11H2,1-2H3,(H,24,26)
InChI Key
JQUMOOLSHNOQGO-UHFFFAOYSA-N
Formula
C18H22F5NO3
SMILES
CC(C)CCCOC(=O)C(Cc1ccccc1)NC(=O)C(F)(F)C(F)(F)F
Molecular Weight1
395.37
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Physical Properties

Property Value Unit Source
ΔfusH° 41.01 kJ/mol Joback Calculated Property
log10WS -5.22 Relay (1.0) Calculated Property
logPoct/wat 3.891 Crippen Calculated Property
McVol 268.560 ml/mol McGowan Calculated Property
Inp [1839.00; 1839.00]   Show Hide
Inp 1839.00 NIST
Inp 1839.00 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 [400.96; 902.82] 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-3.76760e+01
Coefficient B1.95074e+00
Coefficient C-1.35390e-03
Coefficient D3.43660e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 400.96 J/mol×K 273.00 Calculated Property
Cp,gas 498.22 J/mol×K 353.78 Calculated Property
Cp,gas 582.56 J/mol×K 434.56 Calculated Property
Cp,gas 655.08 J/mol×K 515.33 Calculated Property
Cp,gas 716.87 J/mol×K 596.11 Calculated Property
Cp,gas 769.01 J/mol×K 676.89 Calculated Property
Cp,gas 812.59 J/mol×K 757.67 Calculated Property
Cp,gas 848.69 J/mol×K 838.44 Calculated Property
Cp,gas 878.41 J/mol×K 919.22 Calculated Property
Cp,gas 902.82 J/mol×K 1000.00 Calculated Property

Similar Compounds

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

Find more compounds similar to L-Phenylalanine, N-pentafluoropropionyl-, isohexyl ester.

Sources

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