Chemical Properties of l-Phenylalanine, N-(3-trifluoromethylbenzoyl)-, methyl ester

l-Phenylalanine, N-(3-trifluoromethylbenzoyl)-, methyl ester

InChI
InChI=1S/C18H16F3NO3/c1-25-17(24)15(10-12-6-3-2-4-7-12)22-16(23)13-8-5-9-14(11-13)18(19,20)21/h2-9,11,15H,10H2,1H3,(H,22,23)
InChI Key
NJOHCJJTABIYRI-UHFFFAOYSA-N
Formula
C18H16F3NO3
SMILES
COC(=O)C(Cc1ccccc1)NC(=O)c1cccc(C(F)(F)F)c1
Molecular Weight1
351.32
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Physical Properties

Property Value Unit Source
ΔfusH° 39.44 kJ/mol Joback Calculated Property
log10WS -4.40 Relay (1.0) Calculated Property
logPoct/wat 3.219 Crippen Calculated Property
McVol 241.260 ml/mol McGowan Calculated Property
Inp [2139.00; 2139.00]   Show Hide
Inp 2139.00 NIST
Inp 2139.00 NIST
Tboil 640.84 K Relay (1.0) Calculated Property
Tfus 360.42 K Relay (1.0) Calculated Property

Cheméo can also estimate 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 [331.63; 765.11] 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-4.33090e+01
Coefficient B1.65702e+00
Coefficient C-1.11026e-03
Coefficient D2.61660e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 331.63 J/mol×K 273.00 Calculated Property
Cp,gas 415.54 J/mol×K 353.78 Calculated Property
Cp,gas 488.57 J/mol×K 434.56 Calculated Property
Cp,gas 551.57 J/mol×K 515.33 Calculated Property
Cp,gas 605.36 J/mol×K 596.11 Calculated Property
Cp,gas 650.76 J/mol×K 676.89 Calculated Property
Cp,gas 688.61 J/mol×K 757.67 Calculated Property
Cp,gas 719.74 J/mol×K 838.44 Calculated Property
Cp,gas 744.96 J/mol×K 919.22 Calculated Property
Cp,gas 765.11 J/mol×K 1000.00 Calculated Property

Similar Compounds

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

Find more compounds similar to l-Phenylalanine, N-(3-trifluoromethylbenzoyl)-, methyl ester.

Sources

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