Chemical Properties of l-Methionine, N-(3-fluorobenzoyl)-, methyl ester

l-Methionine, N-(3-fluorobenzoyl)-, methyl ester

InChI
InChI=1S/C13H16FNO3S/c1-18-13(17)11(6-7-19-2)15-12(16)9-4-3-5-10(14)8-9/h3-5,8,11H,6-7H2,1-2H3,(H,15,16)
InChI Key
WCGMVBYCHGSBGK-UHFFFAOYSA-N
Formula
C13H16FNO3S
SMILES
COC(=O)C(CCSC)NC(=O)c1cccc(F)c1
Molecular Weight1
285.33
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Physical Properties

Property Value Unit Source
ΔfusH° 37.83 kJ/mol Joback Calculated Property
IE 8.61 eV Relay (1.0) Calculated Property
logPoct/wat 1.850 Crippen Calculated Property
McVol 207.380 ml/mol McGowan Calculated Property
Inp 2087.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, 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, Log10 of Water solubility in mol/l 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 [288.39; 636.66] 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 A2.70320e+01
Coefficient B1.10593e+00
Coefficient C-5.62260e-04
Coefficient D6.59600e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 288.39 J/mol×K 273.00 Calculated Property
Cp,gas 350.83 J/mol×K 353.78 Calculated Property
Cp,gas 406.86 J/mol×K 434.56 Calculated Property
Cp,gas 456.66 J/mol×K 515.33 Calculated Property
Cp,gas 500.46 J/mol×K 596.11 Calculated Property
Cp,gas 538.46 J/mol×K 676.89 Calculated Property
Cp,gas 570.88 J/mol×K 757.67 Calculated Property
Cp,gas 597.91 J/mol×K 838.44 Calculated Property
Cp,gas 619.77 J/mol×K 919.22 Calculated Property
Cp,gas 636.66 J/mol×K 1000.00 Calculated Property

Similar Compounds

l-Methionine, N-(2-fluorobenzoyl)-, methyl ester. l-Methionine, N-(4-fluorobenzoyl)-, methyl ester. L-Methionine, N-(2-chlorobenzoyl)-, methyl ester. l-Methionine, N-(p-toluoyl)-, methyl ester. l-Methionine, N-(4-bromobenzoyl)-, methyl ester. l-Methionine, N-(2,3,4-trifluorobenzoyl)-, methyl ester. l-Methionine, N-(m-toluoyl)-, methyl ester. l-Methionine, N-(p-anisoyl)-, methyl ester. l-Methionine, N-(2,6-difluorobenzoyl)-, methyl ester. l-Methionine, N-(m-anisoyl)-, methyl ester. l-Methionine, N-(3-trifluoromethylbenzoyl)-, methyl ester. l-Methionine, N-(o-anisoyl)-, methyl ester. L-Methionine, N-(2-trifluoromethylbenzoyl)-, methyl ester. l-Methionine, N-(4-butylbenzoyl)-, methyl ester. l-Methionine, N-(2-thienylcarbonyl)-, methyl ester.

Find more compounds similar to l-Methionine, N-(3-fluorobenzoyl)-, methyl ester.

Sources

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