Chemical Properties of L-Phenylalanine, N-(trifluoroacetyl)-, butyl ester (CAS 52574-47-7)

L-Phenylalanine, N-(trifluoroacetyl)-, butyl ester

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InChI
InChI=1S/C15H18F3NO3/c1-2-3-9-22-13(20)12(19-14(21)15(16,17)18)10-11-7-5-4-6-8-11/h4-8,12H,2-3,9-10H2,1H3,(H,19,21)
InChI Key
APGGCCFPMAPWKS-UHFFFAOYSA-N
Formula
C15H18F3NO3
SMILES
CCCCOC(=O)C(Cc1ccccc1)NC(=O)C(F)(F)F
Molecular Weight1
317.30
CAS
52574-47-7
Other Names
  • Phe, butyl ester, TFA
  • Phe, TFA, butyl ester
  • Alanine, 3-phenyl-N-(trifluoroacetyl)-, butyl ester, L-
  • Phe TFA Bu
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Physical Properties

Property Value Unit Source
Δf -669.65 kJ/mol Joback Calculated Property
Δfgas -1022.67 kJ/mol Joback Calculated Property
Δfus 36.43 kJ/mol Joback Calculated Property
Δvap 69.46 kJ/mol Joback Calculated Property
log10WS -3.81 Crippen Calculated Property
logPoct/wat 2.620 Crippen Calculated Property
McVol 222.750 ml/mol McGowan Calculated Property
Pc 1869.17 kPa Joback Calculated Property
Inp [1678.00; 1678.00]   Show Hide
Inp 1678.00 NIST
Inp 1678.00 NIST
Tboil 743.75 K Joback Calculated Property
Tc 939.57 K Joback Calculated Property
Tfus 449.17 K Joback Calculated Property
Vc 0.870 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [648.43; 716.04] J/mol×K [743.75; 939.57] Show Hide
Cp,gas 648.43 J/mol×K 743.75 Joback Calculated Property
Cp,gas 661.88 J/mol×K 776.39 Joback Calculated Property
Cp,gas 674.40 J/mol×K 809.02 Joback Calculated Property
Cp,gas 686.03 J/mol×K 841.66 Joback Calculated Property
Cp,gas 696.82 J/mol×K 874.29 Joback Calculated Property
Cp,gas 706.80 J/mol×K 906.93 Joback Calculated Property
Cp,gas 716.04 J/mol×K 939.57 Joback Calculated Property

Similar Compounds

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

Find more compounds similar to L-Phenylalanine, N-(trifluoroacetyl)-, butyl ester.

Sources

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