Chemical Properties of l-Leucine, N-(2,3,4-trifluorobenzoyl)-, methyl ester

l-Leucine, N-(2,3,4-trifluorobenzoyl)-, methyl ester

InChI
InChI=1S/C14H16F3NO3/c1-7(2)6-10(14(20)21-3)18-13(19)8-4-5-9(15)12(17)11(8)16/h4-5,7,10H,6H2,1-3H3,(H,18,19)
InChI Key
BAQHQMFIWKBOKW-UHFFFAOYSA-N
Formula
C14H16F3NO3
SMILES
COC(=O)C(CC(C)C)NC(=O)c1ccc(F)c(F)c1F
Molecular Weight1
303.28
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Physical Properties

Property Value Unit Source
ΔfusH° 36.57 kJ/mol Joback Calculated Property
logPoct/wat 2.421 Crippen Calculated Property
McVol 208.660 ml/mol McGowan Calculated Property
Inp 1745.00 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, Ionization energy, 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [589.59; 653.95] J/mol×K [738.60; 933.25] Show Hide
Cp,gas 589.59 J/mol×K 738.60 Joback Calculated Property
Cp,gas 602.30 J/mol×K 771.04 Joback Calculated Property
Cp,gas 614.21 J/mol×K 803.48 Joback Calculated Property
Cp,gas 625.31 J/mol×K 835.92 Joback Calculated Property
Cp,gas 635.63 J/mol×K 868.37 Joback Calculated Property
Cp,gas 645.18 J/mol×K 900.81 Joback Calculated Property
Cp,gas 653.95 J/mol×K 933.25 Joback Calculated Property

Similar Compounds

Glycine, 2-cyclohexyl-N-(2,3,4-trifluorobenzoyl)-, isobutyl ester. Glycine, 2-cyclohexyl-N-(2,3,4-trifluorobenzoyl)-, propyl ester. Glycine, 2-cyclohexyl-N-(2,3,4-trifluorobenzoyl)-, octyl ester. Glycine, 2-cyclohexyl-N-(2,3,4-trifluorobenzoyl)-, pentyl ester. Glycine, 2-cyclohexyl-N-(2,3,4-trifluorobenzoyl)-, butyl ester. Glycine, 2-cyclohexyl-N-(2,3,4-trifluorobenzoyl)-, ethyl ester. l-Leucine, N-(4-bromobenzoyl)-, methyl ester. Poligodial + Phe (methyl ester) adduct, (S). Poligodial + Phe (methyl ester) adduct, (R). Poligodial + m-Tyr (ethyl ester) adduct (R,S), acetylated, # 1. Poligodial + m-Tyr (ethyl ester) adduct (R,S). Poligodial + m-Tyr (ethyl ester) adduct (R,S), acetylated, # 2. Poligodial + p-Tyr (ethyl ester) adduct (S), acetylated, # 1. Poligodial + o-Tyr (ethyl ester) adduct (R,S). Poligodial + p-Tyr (ethyl ester) adduct (S), acetylated, # 2.

Find more compounds similar to l-Leucine, N-(2,3,4-trifluorobenzoyl)-, methyl ester.

Sources

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