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

l-Phenylalanine, n-heptafluorobutyryl-, tetradecyl ester

InChI
InChI=1S/C27H38F7NO3/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-38-23(36)22(20-21-17-14-13-15-18-21)35-24(37)25(28,29)26(30,31)27(32,33)34/h13-15,17-18,22H,2-12,16,19-20H2,1H3,(H,35,37)
InChI Key
QWZVQXJJVOMLTI-UHFFFAOYSA-N
Formula
C27H38F7NO3
SMILES
CCCCCCCCCCCCCCOC(=O)C(Cc1ccccc1)NC(=O)C(F)(F)C(F)(F)C(F)(F)F
Molecular Weight1
557.58
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Physical Properties

Property Value Unit Source
ΔfusH° 66.59 kJ/mol Joback Calculated Property
log10WS -8.26 Relay (1.0) Calculated Property
logPoct/wat 7.791 Crippen Calculated Property
McVol 398.910 ml/mol McGowan Calculated Property
Pc 751.43 kPa Joback Calculated Property
Inp 2677.00 NIST
Tboil 671.27 K Relay (1.0) Calculated Property
Tfus 325.25 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 [607.14; 1382.21] 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-5.64660e+01
Coefficient B2.94922e+00
Coefficient C-2.04490e-03
Coefficient D5.34360e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 607.14 J/mol×K 273.00 Calculated Property
Cp,gas 754.63 J/mol×K 353.78 Calculated Property
Cp,gas 882.83 J/mol×K 434.56 Calculated Property
Cp,gas 993.43 J/mol×K 515.33 Calculated Property
Cp,gas 1088.14 J/mol×K 596.11 Calculated Property
Cp,gas 1168.62 J/mol×K 676.89 Calculated Property
Cp,gas 1236.58 J/mol×K 757.67 Calculated Property
Cp,gas 1293.71 J/mol×K 838.44 Calculated Property
Cp,gas 1341.69 J/mol×K 919.22 Calculated Property
Cp,gas 1382.21 J/mol×K 1000.00 Calculated Property

Similar Compounds

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

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

Sources

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