Chemical Properties of L-Phenylalanine, N-(2,6-difluorobenzoyl)-, methyl ester

L-Phenylalanine, N-(2,6-difluorobenzoyl)-, methyl ester

InChI
InChI=1S/C17H15F2NO3/c1-23-17(22)14(10-11-6-3-2-4-7-11)20-16(21)15-12(18)8-5-9-13(15)19/h2-9,14H,10H2,1H3,(H,20,21)
InChI Key
JAKBXLAQIOZZHD-UHFFFAOYSA-N
Formula
C17H15F2NO3
SMILES
COC(=O)C(Cc1ccccc1)NC(=O)c1c(F)cccc1F
Molecular Weight1
319.31
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Physical Properties

Property Value Unit Source
ΔfusH° 40.79 kJ/mol Joback Calculated Property
log10WS -4.32 Relay (1.0) Calculated Property
logPoct/wat 2.479 Crippen Calculated Property
McVol 225.400 ml/mol McGowan Calculated Property
Inp [2216.00; 2216.00]   Show Hide
Inp 2216.00 NIST
Inp 2216.00 NIST
Tboil 625.57 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 [306.23; 701.94] 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-9.71900e+00
Coefficient B1.36492e+00
Coefficient C-8.00620e-04
Coefficient D1.47360e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 306.23 J/mol×K 273.00 Calculated Property
Cp,gas 379.48 J/mol×K 353.78 Calculated Property
Cp,gas 444.32 J/mol×K 434.56 Calculated Property
Cp,gas 501.22 J/mol×K 515.33 Calculated Property
Cp,gas 550.64 J/mol×K 596.11 Calculated Property
Cp,gas 593.05 J/mol×K 676.89 Calculated Property
Cp,gas 628.93 J/mol×K 757.67 Calculated Property
Cp,gas 658.72 J/mol×K 838.44 Calculated Property
Cp,gas 682.90 J/mol×K 919.22 Calculated Property
Cp,gas 701.94 J/mol×K 1000.00 Calculated Property

Similar Compounds

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

Find more compounds similar to L-Phenylalanine, N-(2,6-difluorobenzoyl)-, methyl ester.

Sources

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