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° 47.32 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

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [377.77; 795.84] 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 A1.46960e+01
Coefficient B1.60872e+00
Coefficient C-1.09380e-03
Coefficient D2.66220e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 377.77 J/mol×K 273.00 Calculated Property
Cp,gas 458.71 J/mol×K 353.78 Calculated Property
Cp,gas 529.07 J/mol×K 434.56 Calculated Property
Cp,gas 589.68 J/mol×K 515.33 Calculated Property
Cp,gas 641.38 J/mol×K 596.11 Calculated Property
Cp,gas 685.03 J/mol×K 676.89 Calculated Property
Cp,gas 721.46 J/mol×K 757.67 Calculated Property
Cp,gas 751.50 J/mol×K 838.44 Calculated Property
Cp,gas 776.02 J/mol×K 919.22 Calculated Property
Cp,gas 795.84 J/mol×K 1000.00 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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