Chemical Properties of L-Ornithine, N2,N5-bis(trifluoroacetyl)-, butyl ester (CAS 2804-68-4)

L-Ornithine, N2,N5-bis(trifluoroacetyl)-, butyl ester

InChI
InChI=1S/C13H18F6N2O4/c1-2-3-7-25-9(22)8(21-11(24)13(17,18)19)5-4-6-20-10(23)12(14,15)16/h8H,2-7H2,1H3,(H,20,23)(H,21,24)
InChI Key
LMGYQYJQQMTKTR-UHFFFAOYSA-N
Formula
C13H18F6N2O4
SMILES
CCCCOC(=O)C(CCCNC(=O)C(F)(F)F)NC(=O)C(F)(F)F
Molecular Weight1
380.28
CAS
2804-68-4
Other Names
  • Ornitine, butyl ester, N2,N5-bis-TFA
  • Ornitine, butyl ester, TFA
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Physical Properties

Property Value Unit Source
ΔfusH° 45.74 kJ/mol Joback Calculated Property
logPoct/wat 1.836 Crippen Calculated Property
McVol 235.190 ml/mol McGowan Calculated Property
Inp [1690.00; 1690.00]   Show Hide
Inp 1690.00 NIST
Inp 1690.00 NIST
Tboil 530.04 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [723.56; 782.34] J/mol×K [769.93; 948.10] Show Hide
Cp,gas 723.56 J/mol×K 769.93 Joback Calculated Property
Cp,gas 735.15 J/mol×K 799.63 Joback Calculated Property
Cp,gas 745.96 J/mol×K 829.32 Joback Calculated Property
Cp,gas 756.05 J/mol×K 859.02 Joback Calculated Property
Cp,gas 765.45 J/mol×K 888.71 Joback Calculated Property
Cp,gas 774.20 J/mol×K 918.41 Joback Calculated Property
Cp,gas 782.34 J/mol×K 948.10 Joback Calculated Property

Similar Compounds

Lysine, N,N-di(trifluoroacetyl)-, n-butyl ester. L-Norleucine, N-(trifluoroacetyl)-, butyl ester. 2-Aminoadipic acid, N-trifluoroacetyl-, di-n-butyl ester. ornithine, trifluoroacetyl-isopropyl ester. L-Leucine, N-(trifluoroacetyl)-, butyl ester. l-Leucine-, n-pentafluoropropionyl-, decyl ester. l-Leucine, n-pentafluoropropionyl-, hexyl ester. l-Leucine, n-pentafluoropropionyl-, heptadecyl ester. l-Leucine, n-pentafluoropropionyl-, hexadecyl ester. l-Leucine, n-pentafluoropropionyl-, nonyl ester. l-Leucine, n-pentafluoropropionyl-, pentadecyl ester. l-Leucine, n-pentafluoropropionyl-, undecyl ester. l-Leucine, n-pentafluoropropionyl-, pentyl ester. l-Leucine, n-pentafluoropropionyl-, butyl ester. N-«alpha»-Acetyl lysine, butyl ester.

Find more compounds similar to L-Ornithine, N2,N5-bis(trifluoroacetyl)-, butyl ester.

Sources

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