Chemical Properties of N-(Heptafluorobutyryl)methionine propyl ester (CAS 88436-11-7)

N-(Heptafluorobutyryl)methionine propyl ester

InChI
InChI=1S/C12H16F7NO3S/c1-3-5-23-8(21)7(4-6-24-2)20-9(22)10(13,14)11(15,16)12(17,18)19/h7H,3-6H2,1-2H3,(H,20,22)
InChI Key
DXEDYBBAJBCCRO-UHFFFAOYSA-N
Formula
C12H16F7NO3S
SMILES
CCCOC(=O)C(CCSC)NC(=O)C(F)(F)C(F)(F)C(F)(F)F
Molecular Weight1
387.31
CAS
88436-11-7
Other Names
  • L-Methionine, N-heptafluorobutyryl-, propyl ester
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Physical Properties

Property Value Unit Source
ΔfusH° 37.83 kJ/mol Joback Calculated Property
logPoct/wat 3.010 Crippen Calculated Property
McVol 227.670 ml/mol McGowan Calculated Property
Inp 1550.00 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [366.69; 753.46] 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 A1.06740e+01
Coefficient B1.59753e+00
Coefficient C-1.15750e-03
Coefficient D3.02760e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 366.69 J/mol×K 273.00 Calculated Property
Cp,gas 444.38 J/mol×K 353.78 Calculated Property
Cp,gas 511.15 J/mol×K 434.56 Calculated Property
Cp,gas 567.97 J/mol×K 515.33 Calculated Property
Cp,gas 615.80 J/mol×K 596.11 Calculated Property
Cp,gas 655.58 J/mol×K 676.89 Calculated Property
Cp,gas 688.28 J/mol×K 757.67 Calculated Property
Cp,gas 714.86 J/mol×K 838.44 Calculated Property
Cp,gas 736.27 J/mol×K 919.22 Calculated Property
Cp,gas 753.46 J/mol×K 1000.00 Calculated Property

Similar Compounds

L-Methionine, N-heptafluorobutyryl-, butyl ester. l-Methionine, n-heptafluorobutyryl-, pentyl ester. L-Methionine, N-heptafluorobutyryl-, isobutyl ester. l-Methionine, n-heptafluorobutyryl-, ethyl ester. l-Methionine, n-heptafluorobutyryl-, hexyl ester. l-Methionine, n-heptafluorobutyryl-, decyl ester. l-Methionine, n-heptafluorobutyryl-, tetradecyl ester. l-Methionine, n-heptafluorobutyryl-, octadecyl ester. l-Methionine, n-heptafluorobutyryl-, heptadecyl ester. L-Methionine, N-heptafluorobutyryl-, undecyl ester. L-Methionine, N-heptafluorobutyryl-, pentadecyl ester. l-Methionine, n-heptafluorobutyryl-, nonyl ester. l-Methionine, n-heptafluorobutyryl-, dodecyl ester. l-Methionine, n-heptafluorobutyryl-, isohexyl ester. L-Methionine, N-pentafluoropropionyl-, propyl ester.

Find more compounds similar to N-(Heptafluorobutyryl)methionine propyl ester.

Sources

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