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

l-Phenylalanine, n-heptafluorobutyryl-, octadecyl ester

InChI
InChI=1S/C31H46F7NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-42-27(40)26(24-25-21-18-17-19-22-25)39-28(41)29(32,33)30(34,35)31(36,37)38/h17-19,21-22,26H,2-16,20,23-24H2,1H3,(H,39,41)
InChI Key
TXNIOWFWTPLLHT-UHFFFAOYSA-N
Formula
C31H46F7NO3
SMILES
CCCCCCCCCCCCCCCCCCOC(=O)C(Cc1ccccc1)NC(=O)C(F)(F)C(F)(F)C(F)(F)F
Molecular Weight1
613.69
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Physical Properties

Property Value Unit Source
ΔfusH° 76.95 kJ/mol Joback Calculated Property
log10WS -9.31 Relay (1.0) Calculated Property
logPoct/wat 9.352 Crippen Calculated Property
McVol 455.270 ml/mol McGowan Calculated Property
Pc 615.12 kPa Joback Calculated Property
Inp [3241.00; 3241.00]   Show Hide
Inp 3241.00 NIST
Inp 3241.00 NIST
Tboil 701.45 K Relay (1.0) Calculated Property
Tfus 331.88 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1630.81; 1749.47] J/mol×K [1082.58; 1366.57] Show Hide
Cp,gas 1630.81 J/mol×K 1082.58 Joback Calculated Property
Cp,gas 1652.60 J/mol×K 1129.91 Joback Calculated Property
Cp,gas 1673.09 J/mol×K 1177.24 Joback Calculated Property
Cp,gas 1692.65 J/mol×K 1224.57 Joback Calculated Property
Cp,gas 1711.66 J/mol×K 1271.91 Joback Calculated Property
Cp,gas 1730.47 J/mol×K 1319.24 Joback Calculated Property
Cp,gas 1749.47 J/mol×K 1366.57 Joback 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-, hexadecyl 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-, octadecyl ester.

Sources

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