Chemical Properties of L-Threonine, N-(trifluoroacetyl)-, butyl ester (CAS 23403-41-0)

L-Threonine, N-(trifluoroacetyl)-, butyl ester

InChI
InChI=1S/C10H16F3NO4/c1-3-4-5-18-8(16)7(6(2)15)14-9(17)10(11,12)13/h6-7,15H,3-5H2,1-2H3,(H,14,17)
InChI Key
FKTFFGPAZUBWBK-UHFFFAOYSA-N
Formula
C10H16F3NO4
SMILES
CCCCOC(=O)C(NC(=O)C(F)(F)F)C(C)O
Molecular Weight1
271.23
CAS
23403-41-0
Other Names
  • Thr TFA Bu
  • Thr, TFA, butyl ester
  • Thr, butyl ester, TFA
  • Threonine, N-(trifluoroacetyl)-, butyl ester
  • Threonine, N-(trifluoroacetyl)-, butyl ester, L-
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Physical Properties

Property Value Unit Source
ΔfH°gas -1493.43 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 31.59 kJ/mol Joback Calculated Property
ΔvapH° 77.44 kJ/mol Relay (1.0) Calculated Property
log10WS -1.36 Relay (1.0) Calculated Property
logPoct/wat 0.758 Crippen Calculated Property
McVol 181.930 ml/mol McGowan Calculated Property
Inp [1246.00; 1246.00]   Show Hide
Inp 1246.00 NIST
Inp 1246.00 NIST
Tboil 505.98 K Relay (1.0) Calculated Property
Tfus 339.88 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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 [286.07; 611.68] 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 A2.10830e+01
Coefficient B1.15424e+00
Coefficient C-7.13300e-04
Coefficient D1.49660e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 286.07 J/mol×K 273.00 Calculated Property
Cp,gas 346.78 J/mol×K 353.78 Calculated Property
Cp,gas 400.25 J/mol×K 434.56 Calculated Property
Cp,gas 446.95 J/mol×K 515.33 Calculated Property
Cp,gas 487.37 J/mol×K 596.11 Calculated Property
Cp,gas 521.97 J/mol×K 676.89 Calculated Property
Cp,gas 551.23 J/mol×K 757.67 Calculated Property
Cp,gas 575.62 J/mol×K 838.44 Calculated Property
Cp,gas 595.61 J/mol×K 919.22 Calculated Property
Cp,gas 611.68 J/mol×K 1000.00 Calculated Property

Similar Compounds

allo-threonine, trifluoroacetyl-isopropyl ester. threonine, trifluoroacetyl-isopropyl ester. L-Threonine, N,O-di(trifluoroacetyl)-, 2,2,3,3,3-pentafluoropropyl ester. L-Isoleucine, N-heptafluorobutyryl-, heptyl ester. Tetrazepam M (hydroxy-), isomer 2, hydrolysis, acetylated. Lincomycin. 4H,6h-m-dioxino[4',5':5,6]pyrano[4,3-d]-4-oxazolin-2-one, hexahydro-4-methoxy-1,8-diphenyl-. l-Isoleucine, n-heptafluorobutyryl-, undecyl ester. l-Isoleucine, n-heptafluorobutyryl-, decyl ester. l-Isoleucine, n-heptafluorobutyryl-, heptadecyl ester. l-Isoleucine, n-heptafluorobutyryl-, hexadecyl ester. l-Isoleucine, n-heptafluorobutyryl-, octadecyl ester. l-Isoleucine, n-heptafluorobutyryl-, tetradecyl ester. l-Isoleucine, n-heptafluorobutyryl-, nonyl ester. l-Isoleucine, n-heptafluorobutyryl-, pentadecyl ester.

Find more compounds similar to L-Threonine, N-(trifluoroacetyl)-, butyl ester.

Sources

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