Chemical Properties of p-Fluoro-L-phenylalanine, N-chlorodifluoroacetyl-, ethyl ester

p-Fluoro-L-phenylalanine, N-chlorodifluoroacetyl-, ethyl ester

InChI
InChI=1S/C13H13ClF3NO3/c1-2-21-11(19)10(18-12(20)13(14,16)17)7-8-3-5-9(15)6-4-8/h3-6,10H,2,7H2,1H3,(H,18,20)
InChI Key
MHBNBWPSGRXSLW-UHFFFAOYSA-N
Formula
C13H13ClF3NO3
SMILES
CCOC(=O)C(Cc1ccc(F)cc1)NC(=O)C(F)(F)Cl
Molecular Weight1
323.70
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Physical Properties

Property Value Unit Source
ΔfusH° 36.64 kJ/mol Joback Calculated Property
log10WS -3.89 Relay (1.0) Calculated Property
logPoct/wat 2.248 Crippen Calculated Property
McVol 206.810 ml/mol McGowan Calculated Property
Inp [1245.00; 1245.00]   Show Hide
Inp 1245.00 NIST
Inp 1245.00 NIST
Tboil 569.65 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, 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 [296.23; 633.95] 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 A8.03200e+00
Coefficient B1.26772e+00
Coefficient C-8.27460e-04
Coefficient D1.85660e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 296.23 J/mol×K 273.00 Calculated Property
Cp,gas 361.18 J/mol×K 353.78 Calculated Property
Cp,gas 417.91 J/mol×K 434.56 Calculated Property
Cp,gas 466.99 J/mol×K 515.33 Calculated Property
Cp,gas 509.03 J/mol×K 596.11 Calculated Property
Cp,gas 544.59 J/mol×K 676.89 Calculated Property
Cp,gas 574.28 J/mol×K 757.67 Calculated Property
Cp,gas 598.68 J/mol×K 838.44 Calculated Property
Cp,gas 618.37 J/mol×K 919.22 Calculated Property
Cp,gas 633.95 J/mol×K 1000.00 Calculated Property

Similar Compounds

DL-Phenylalanine, N-chlorodifluoroacetyl-, ethyl ester. L-Phenylalanine, N-(trifluoroacetyl)-, butyl ester. l-Phenylalanine, n-pentafluoropropionyl-, ethyl ester. phenylalanine, trifluoroacetyl-isopropyl ester. l-Phenylalanine, n-pentafluoropropionyl-, propyl ester. L-Phenylalanine, N-pentafluoropropionyl-, butyl ester. DL-ETHYL 2-ACETAMIDO-3-PHENYLPROPIONATE. l-Phenylalanine, n-heptafluorobutyryl-, pentyl ester. l-Phenylalanine, n-heptafluorobutyryl-, butyl ester. l-Phenylalanine, n-pentafluoropropionyl-, octadecyl ester. l-Phenylalanine, n-pentafluoropropionyl-, undecyl ester. l-Phenylalanine, n-pentafluoropropionyl-, heptadecyl ester. l-Phenylalanine, n-pentafluoropropionyl-, dodecyl ester. l-Phenylalanine, n-pentafluoropropionyl-, hexadecyl ester. l-Phenylalanine, n-pentafluoropropionyl-, tetradecyl ester.

Find more compounds similar to p-Fluoro-L-phenylalanine, N-chlorodifluoroacetyl-, ethyl ester.

Sources

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