Chemical Properties of l-Isoleucine, n-pentafluoropropionyl-, propyl ester

l-Isoleucine, n-pentafluoropropionyl-, propyl ester

InChI
InChI=1S/C12H18F5NO3/c1-4-6-21-9(19)8(7(3)5-2)18-10(20)11(13,14)12(15,16)17/h7-8H,4-6H2,1-3H3,(H,18,20)
InChI Key
OTRXXZBZQQSDKQ-UHFFFAOYSA-N
Formula
C12H18F5NO3
SMILES
CCCOC(=O)C(NC(=O)C(F)(F)C(F)(F)F)C(C)CC
Molecular Weight1
319.27
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Physical Properties

Property Value Unit Source
ΔfusH° 31.43 kJ/mol Joback Calculated Property
logPoct/wat 2.668 Crippen Calculated Property
McVol 207.780 ml/mol McGowan Calculated Property
Pc 1652.46 kPa Joback Calculated Property
Inp 1303.00 NIST
Tboil 483.29 K Relay (1.0) Calculated Property
Tc 631.64 K Relay (1.0) Calculated Property
Tfus 299.86 K Relay (1.0) Calculated Property

Cheméo can also estimate 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 [330.94; 711.80] 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 A1.68300e+00
Coefficient B1.45966e+00
Coefficient C-9.96300e-04
Coefficient D2.46760e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 330.94 J/mol×K 273.00 Calculated Property
Cp,gas 404.31 J/mol×K 353.78 Calculated Property
Cp,gas 468.10 J/mol×K 434.56 Calculated Property
Cp,gas 523.08 J/mol×K 515.33 Calculated Property
Cp,gas 570.04 J/mol×K 596.11 Calculated Property
Cp,gas 609.76 J/mol×K 676.89 Calculated Property
Cp,gas 643.01 J/mol×K 757.67 Calculated Property
Cp,gas 670.58 J/mol×K 838.44 Calculated Property
Cp,gas 693.25 J/mol×K 919.22 Calculated Property
Cp,gas 711.80 J/mol×K 1000.00 Calculated Property

Similar Compounds

l-Isoleucine, n-pentafluoropropionyl-, pentyl ester. L-isoleucine, n-pentafluoropropionyl-, ethyl ester. l-Isoleucine, n-pentafluoropropionyl-, isobutyl ester. l-Isoleucine, n-pentafluoropropionyl-, hexadecyl ester. l-Isoleucine, n-pentafluoropropionyl-, octadecyl ester. L-isoleucine, n-pentafluoropropionyl-, pentadecyl ester. l-Isoleucine, n-pentafluoropropionyl-, tetradecyl ester. L-Isoleucine, N-pentafluoropropionyl-, heptadecyl ester. l-Isoleucine, n-pentafluoropropionyl-, decyl ester. L-isoleucine, n-pentafluoropropionyl-, octyl ester. l-Isoleucine, n-pentafluoropropionyl-, hexyl ester. l-Isoleucine, n-pentafluoropropionyl-, undecyl ester. L-Isoleucine, N-pentafluoropropionyl-, heptyl ester. l-Isoleucine, n-heptafluorobutyryl-, propyl ester. l-Isoleucine, n-heptafluorobutyryl-, decyl ester.

Find more compounds similar to l-Isoleucine, n-pentafluoropropionyl-, propyl ester.

Sources

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