Chemical Properties of L-Phenylalanine, N-(3-fluorobenzoyl)-, methyl ester

L-Phenylalanine, N-(3-fluorobenzoyl)-, methyl ester

InChI
InChI=1S/C17H16FNO3/c1-22-17(21)15(10-12-6-3-2-4-7-12)19-16(20)13-8-5-9-14(18)11-13/h2-9,11,15H,10H2,1H3,(H,19,20)
InChI Key
SQUNXHNZPDBHRA-UHFFFAOYSA-N
Formula
C17H16FNO3
SMILES
COC(=O)C(Cc1ccccc1)NC(=O)c1cccc(F)c1
Molecular Weight1
301.32
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Physical Properties

Property Value Unit Source
ΔfusH° 36.52 kJ/mol Joback Calculated Property
IE 8.77 eV Relay (1.0) Calculated Property
log10WS -3.86 Relay (1.0) Calculated Property
logPoct/wat 2.340 Crippen Calculated Property
McVol 223.630 ml/mol McGowan Calculated Property
Inp [2190.00; 2190.00]   Show Hide
Inp 2190.00 NIST
Inp 2190.00 NIST
Tfus 348.99 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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 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 [647.33; 708.50] J/mol×K [825.86; 1054.31] Show Hide
Cp,gas 647.33 J/mol×K 825.86 Joback Calculated Property
Cp,gas 660.26 J/mol×K 863.94 Joback Calculated Property
Cp,gas 672.02 J/mol×K 902.01 Joback Calculated Property
Cp,gas 682.68 J/mol×K 940.09 Joback Calculated Property
Cp,gas 692.27 J/mol×K 978.16 Joback Calculated Property
Cp,gas 700.86 J/mol×K 1016.24 Joback Calculated Property
Cp,gas 708.50 J/mol×K 1054.31 Joback Calculated Property

Similar Compounds

l-Phenylalanine, N-(4-fluorobenzoyl)-, methyl ester. l-Phenylalanine-, N-(p-toluoyl)-, methyl ester. l-Phenylalanine, N-(2-fluorobenzoyl)-, methyl ester. L-Phenylalanine, N-(4-bromobenzoyl)-, methyl ester. L-phenylalanine, n-(4-butylbenzoyl)-, methyl ester. l-Phenylalanine, N-(2,3,4-trifluorobenzoyl)-, methyl ester. L-phenylalanine, n-(p-anisoyl)-, methyl ester. L-Tyrosine, N,O-bis(3-fluorobenzoyl)-, methyl ester. l-Phenylalanine, N-(3-trifluoromethylbenzoyl)-, methyl ester. L-Phenylalanine, N-(2-chlorobenzoyl)-, methyl ester. l-Phenylalanine, N-(2-trifluoromethylbenzoyl)-, methyl ester. L-Phenylalanine, N-(m-anisoyl)-, methyl ester. L-Phenylalanine, N-(2,6-difluorobenzoyl)-, methyl ester. l-Tyrosine, N,O-bis(4-fluorobenzoyl)-, methyl ester. L-Phenylalanine, N-benzoyl-.

Find more compounds similar to L-Phenylalanine, N-(3-fluorobenzoyl)-, methyl ester.

Sources

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