Chemical Properties of 1-[4-(2,2,2-Trifluoroacetoxy)phenyl]-2-[(trifluoroacetyl)amino]ethyl trifluoroacetate

1-[4-(2,2,2-Trifluoroacetoxy)phenyl]-2-[(trifluoroacetyl)amino]ethyl trifluoroacetate

InChI
InChI=1S/C14H8F9NO5/c15-12(16,17)9(25)24-5-8(29-11(27)14(21,22)23)6-1-3-7(4-2-6)28-10(26)13(18,19)20/h1-4,8H,5H2,(H,24,25)
InChI Key
AOQZMQBDUJCRTH-UHFFFAOYSA-N
Formula
C14H8F9NO5
SMILES
O=C(NCC(OC(=O)C(F)(F)F)c1ccc(OC(=O)C(F)(F)F)cc1)C(F)(F)F
Molecular Weight1
441.20
Other Names
  • p-Octopamine, TFA
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Physical Properties

Property Value Unit Source
ΔfusH° 43.06 kJ/mol Joback Calculated Property
logPoct/wat 2.979 Crippen Calculated Property
McVol 226.720 ml/mol McGowan Calculated Property
Inp [1450.00; 1497.00]   Show Hide
Inp 1450.00 NIST
Inp 1487.00 NIST
Inp 1497.00 NIST
Inp 1450.00 NIST
Inp 1487.00 NIST
Inp 1497.00 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [676.94; 721.16] J/mol×K [755.36; 936.73] Show Hide
Cp,gas 676.94 J/mol×K 755.36 Joback Calculated Property
Cp,gas 686.34 J/mol×K 785.59 Joback Calculated Property
Cp,gas 694.86 J/mol×K 815.82 Joback Calculated Property
Cp,gas 702.55 J/mol×K 846.04 Joback Calculated Property
Cp,gas 709.46 J/mol×K 876.27 Joback Calculated Property
Cp,gas 715.65 J/mol×K 906.50 Joback Calculated Property
Cp,gas 721.16 J/mol×K 936.73 Joback Calculated Property

Similar Compounds

m-Octopamine, TFA. Octopamine, N-acetyl-TFA. (-)-Norepinephrine, N,O,O',O''-tetrakis(trifluoroacetyl)-. 4-[2-Bis(trifluoroacetyl)amino-1-(trifluoroacetyloxy)ethyl]phenyl trifluoroacetate. OCTOPAMINE TRIPFP. Acetamide, N-[2-(acetyloxy)-2-[4-(acetyloxy)phenyl]ethyl]-. p-Octopamine, N-acetate, PFP. 2-Hydroxy-2-phenylethylamine di(trifluoroacetyl)-. p-Synephrine, TFA. (-)-Norepinephrine, N,O,O',O''-tetrakis(pentafluoropropionyl)-. Butanoic acid, heptafluoro-, 4-[2-[(2,2,3,3,4,4,4-heptafluoro-1-oxobutyl)amino]-1-(2,2,3,3,4,4,4-heptafluoro-1-oxobutoxy)ethyl]phenyl ester. (-)-Norepinephrine, N,O,O',O''-tetrakis(heptafluorobutyryl)-. 4-[1-Acetoxy-2-(diacetylamino)ethyl]phenyl acetate. (-)-Epinephrine, N,O,O',O''-tetrakis(trifluoroacetyl)-. (.+/-.)-Epinephrine, N,O,O',O''-tetrakis(trifluoroacetyl)-.

Find more compounds similar to 1-[4-(2,2,2-Trifluoroacetoxy)phenyl]-2-[(trifluoroacetyl)amino]ethyl trifluoroacetate.

Sources

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