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

l-Phenylalanine, n-heptafluorobutyryl-, pentyl ester

InChI
InChI=1S/C18H20F7NO3/c1-2-3-7-10-29-14(27)13(11-12-8-5-4-6-9-12)26-15(28)16(19,20)17(21,22)18(23,24)25/h4-6,8-9,13H,2-3,7,10-11H2,1H3,(H,26,28)
InChI Key
IWPULFBBUCUDMG-UHFFFAOYSA-N
Formula
C18H20F7NO3
SMILES
CCCCCOC(=O)C(Cc1ccccc1)NC(=O)C(F)(F)C(F)(F)C(F)(F)F
Molecular Weight1
431.35
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Physical Properties

Property Value Unit Source
ΔfusH° 43.28 kJ/mol Joback Calculated Property
log10WS -5.64 Relay (1.0) Calculated Property
logPoct/wat 4.280 Crippen Calculated Property
McVol 272.100 ml/mol McGowan Calculated Property
Pc 1290.21 kPa Joback Calculated Property
Inp [1818.00; 1818.00]   Show Hide
Inp 1818.00 NIST
Inp 1818.00 NIST
Tboil 588.11 K Relay (1.0) Calculated Property
Tfus 309.89 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 [416.22; 917.90] 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-4.82850e+01
Coefficient B2.09422e+00
Coefficient C-1.55530e-03
Coefficient D4.27260e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 416.22 J/mol×K 273.00 Calculated Property
Cp,gas 516.86 J/mol×K 353.78 Calculated Property
Cp,gas 603.13 J/mol×K 434.56 Calculated Property
Cp,gas 676.37 J/mol×K 515.33 Calculated Property
Cp,gas 737.93 J/mol×K 596.11 Calculated Property
Cp,gas 789.17 J/mol×K 676.89 Calculated Property
Cp,gas 831.44 J/mol×K 757.67 Calculated Property
Cp,gas 866.08 J/mol×K 838.44 Calculated Property
Cp,gas 894.45 J/mol×K 919.22 Calculated Property
Cp,gas 917.89 J/mol×K 1000.00 Calculated Property

Similar Compounds

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

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

Sources

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