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° 38.15 kJ/mol Joback Calculated Property
logPoct/wat 2.421 Crippen Calculated Property
McVol 208.660 ml/mol McGowan Calculated Property
Inp 1745.00 NIST

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [310.28; 670.26] 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 A4.56210e+01
Coefficient B1.11706e+00
Coefficient C-5.58780e-04
Coefficient D6.63600e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 310.28 J/mol×K 273.00 Calculated Property
Cp,gas 373.81 J/mol×K 353.78 Calculated Property
Cp,gas 430.97 J/mol×K 434.56 Calculated Property
Cp,gas 481.97 J/mol×K 515.33 Calculated Property
Cp,gas 527.01 J/mol×K 596.11 Calculated Property
Cp,gas 566.31 J/mol×K 676.89 Calculated Property
Cp,gas 600.07 J/mol×K 757.67 Calculated Property
Cp,gas 628.51 J/mol×K 838.44 Calculated Property
Cp,gas 651.84 J/mol×K 919.22 Calculated Property
Cp,gas 670.26 J/mol×K 1000.00 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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