Chemical Properties of (.+/-.)-Epinephrine, N,O,O',O''-tetrakis(trifluoroacetyl)-

(.+/-.)-Epinephrine, N,O,O',O''-tetrakis(trifluoroacetyl)-

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InChI
InChI=1S/C17H9F12NO7/c1-30(10(31)14(18,19)20)5-9(37-13(34)17(27,28)29)6-2-3-7(35-11(32)15(21,22)23)8(4-6)36-12(33)16(24,25)26/h2-4,9H,5H2,1H3
InChI Key
NOEFXLYARFWKQU-UHFFFAOYSA-N
Formula
C17H9F12NO7
SMILES
CN(CC(OC(=O)C(F)(F)F)c1ccc(OC(=O)C(F)(F)F)c(OC(=O)C(F)(F)F)c1)C(=O)C(F)(F)F
Molecular Weight1
567.24
Sources

Physical Properties

Property Value Unit Source
Δf -2863.29 kJ/mol Joback Calculated Property
Δfgas -3353.67 kJ/mol Joback Calculated Property
Δfus 49.81 kJ/mol Joback Calculated Property
Δvap 77.92 kJ/mol Joback Calculated Property
logPoct/wat 3.79 Crippen Calculated Property
Pc 1270.06 kPa Joback Calculated Property
Tboil 898.06 K Joback Calculated Property
Tc 1099.73 K Joback Calculated Property
Tfus 633.45 K Joback Calculated Property
Vc 1.14 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 889.85 J/mol×K 898.06 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 3
-F 12
>C=O (nonring) 4
=CH- (ring) 3
>N- 1
=C< (ring) 3
-CH2- 1
>C< 4
-CH3 1

Similar Compounds

(-)-Epinephrine, N,O,O',O''-tetrakis(trifluoroacetyl)-. DL-Metanephrine, N,O,O'-tris(trifluoroacetyl)-. (-)-Norepinephrine, N,O,O',O''-tetrakis(trifluoroacetyl)-. (-)-Epinephrine, N,O,O',O''-tetrakis(pentafluoropropionyl)-. (.+/-.)-Epinephrine, N,O,O',O''-tetrakis(pentafluoropropionyl)-. 4-[2-Bis(trifluoroacetyl)amino-1-(trifluoroacetyloxy)ethyl]phenyl trifluoroacetate. DL-Metanephrine, N,O,O'-tris(pentafluoropropionyl)-. (-)-Norepinephrine, N,O,O',O''-tetrakis(pentafluoropropionyl)-. o-Synephrine, TFA. DL-Metanephrine, N,O,O'-tris(heptafluorobutyryl)-. 3,4-dihydroxymandelic acid, TFA-ME. (-)-Norepinephrine, N,O,O',O''-tetrakis(heptafluorobutyryl)-. Acetamide, N-[2-[3,4-bis(acetyloxy)phenyl]-2-hydroxyethyl]-N-methyl-. Octopamine, N-acetyl-TFA. Vanillylmandelic acid, TFA-ME.

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