Chemical Properties of L-Phenylalanine, N-heptafluorobutyryl-, hexadecyl ester

L-Phenylalanine, N-heptafluorobutyryl-, hexadecyl ester

InChI
InChI=1S/C29H42F7NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-40-25(38)24(22-23-19-16-15-17-20-23)37-26(39)27(30,31)28(32,33)29(34,35)36/h15-17,19-20,24H,2-14,18,21-22H2,1H3,(H,37,39)
InChI Key
GPYLMDHCDSFFLE-UHFFFAOYSA-N
Formula
C29H42F7NO3
SMILES
CCCCCCCCCCCCCCCCOC(=O)C(Cc1ccccc1)NC(=O)C(F)(F)C(F)(F)C(F)(F)F
Molecular Weight1
585.65
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Physical Properties

Property Value Unit Source
ΔfusH° 71.77 kJ/mol Joback Calculated Property
log10WS -8.79 Relay (1.0) Calculated Property
logPoct/wat 8.571 Crippen Calculated Property
McVol 427.090 ml/mol McGowan Calculated Property
Pc 678.17 kPa Joback Calculated Property
Inp [2915.00; 2915.00]   Show Hide
Inp 2915.00 NIST
Inp 2915.00 NIST
Tboil 686.76 K Relay (1.0) Calculated Property
Tfus 328.59 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 [649.57; 1485.40] 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-5.82840e+01
Coefficient B3.13922e+00
Coefficient C-2.15370e-03
Coefficient D5.58160e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 649.57 J/mol×K 273.00 Calculated Property
Cp,gas 807.46 J/mol×K 353.78 Calculated Property
Cp,gas 944.98 J/mol×K 434.56 Calculated Property
Cp,gas 1063.89 J/mol×K 515.33 Calculated Property
Cp,gas 1165.96 J/mol×K 596.11 Calculated Property
Cp,gas 1252.95 J/mol×K 676.89 Calculated Property
Cp,gas 1326.62 J/mol×K 757.67 Calculated Property
Cp,gas 1388.74 J/mol×K 838.44 Calculated Property
Cp,gas 1441.08 J/mol×K 919.22 Calculated Property
Cp,gas 1485.40 J/mol×K 1000.00 Calculated Property

Similar Compounds

l-Phenylalanine, n-heptafluorobutyryl-, tetradecyl ester. 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-, 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-, hexadecyl ester.

Sources

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