Chemical Properties of isoleucine, trifluoroacetyl-isopropyl ester

isoleucine, trifluoroacetyl-isopropyl ester

InChI
InChI=1S/C11H18F3NO3/c1-5-7(4)8(9(16)18-6(2)3)15-10(17)11(12,13)14/h6-8H,5H2,1-4H3,(H,15,17)
InChI Key
ZDFVPNVHCYATIF-UHFFFAOYSA-N
Formula
C11H18F3NO3
SMILES
CCC(C)C(NC(=O)C(F)(F)F)C(=O)OC(C)C
Molecular Weight1
269.26
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Physical Properties

Property Value Unit Source
ΔfusH° 26.57 kJ/mol Joback Calculated Property
logPoct/wat 2.031 Crippen Calculated Property
McVol 190.150 ml/mol McGowan Calculated Property
Inp [1244.00; 1244.00]   Show Hide
Inp 1244.00 NIST
Inp 1244.00 NIST
Tboil 467.38 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, 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 [294.47; 645.14] 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 A1.32010e+01
Coefficient B1.22118e+00
Coefficient C-7.40500e-04
Coefficient D1.51260e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 294.47 J/mol×K 273.00 Calculated Property
Cp,gas 359.24 J/mol×K 353.78 Calculated Property
Cp,gas 416.45 J/mol×K 434.56 Calculated Property
Cp,gas 466.56 J/mol×K 515.33 Calculated Property
Cp,gas 510.07 J/mol×K 596.11 Calculated Property
Cp,gas 547.43 J/mol×K 676.89 Calculated Property
Cp,gas 579.15 J/mol×K 757.67 Calculated Property
Cp,gas 605.68 J/mol×K 838.44 Calculated Property
Cp,gas 627.52 J/mol×K 919.22 Calculated Property
Cp,gas 645.14 J/mol×K 1000.00 Calculated Property

Similar Compounds

L-Isoleucine, N-(trifluoroacetyl)-, butyl ester. L-Isoleucine, N-chlorodifluoroacetyl-, ethyl ester. L-isoleucine, n-pentafluoropropionyl-, ethyl ester. l-Isoleucine, n-pentafluoropropionyl-, propyl ester. L-Isoleucine, N-trifluoroacetyl-, 2,2,3,3,3-pentafluoropropyl ester. l-Isoleucine, n-pentafluoropropionyl-, pentyl ester. l-Isoleucine, n-heptafluorobutyryl-, ethyl ester. l-Isoleucine, n-pentafluoropropionyl-, isobutyl ester. l-Isoleucine, n-pentafluoropropionyl-, decyl ester. l-Isoleucine, n-pentafluoropropionyl-, hexyl ester. L-Isoleucine, N-pentafluoropropionyl-, heptadecyl ester. L-isoleucine, n-pentafluoropropionyl-, pentadecyl ester. l-Isoleucine, n-pentafluoropropionyl-, octadecyl ester. l-Isoleucine, n-pentafluoropropionyl-, undecyl ester. l-Isoleucine, n-pentafluoropropionyl-, tetradecyl ester.

Find more compounds similar to isoleucine, trifluoroacetyl-isopropyl ester.

Sources

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