Chemical Properties of (-)-Norepinephrine, N,O,O',O''-tetrakis(pentafluoropropionyl)-

(-)-Norepinephrine, N,O,O',O''-tetrakis(pentafluoropropionyl)-

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InChI
InChI=1S/C20H7F20NO7/c21-13(22,17(29,30)31)9(42)41-4-8(48-12(45)16(27,28)20(38,39)40)5-1-2-6(46-10(43)14(23,24)18(32,33)34)7(3-5)47-11(44)15(25,26)19(35,36)37/h1-3,8H,4H2,(H,41,42)
InChI Key
BLOMCUYCULPLFG-UHFFFAOYSA-N
Formula
C20H7F20NO7
SMILES
O=C(NCC(OC(=O)C(F)(F)C(F)(F)F)c1ccc(OC(=O)C(F)(F)C(F)(F)F)c(OC(=O)C(F)(F)C(F)(F)F)c1)C(F)(F)C(F)(F)F
Molecular Weight1
753.24
Sources

Physical Properties

Property Value Unit Source
Δf -4406.54 kJ/mol Joback Calculated Property
Δfgas -5033.53 kJ/mol Joback Calculated Property
Δfus 54.64 kJ/mol Joback Calculated Property
Δvap 77.27 kJ/mol Joback Calculated Property
logPoct/wat 5.99 Crippen Calculated Property
Pc 884.19 kPa Joback Calculated Property
Tboil 985.67 K Joback Calculated Property
Tc 1231.36 K Joback Calculated Property
Tfus 701.85 K Joback Calculated Property
Vc 1.43 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1125.64 J/mol×K 985.67 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 3
>CH- 1
-F 20
=CH- (ring) 3
=C< (ring) 3
-CH2- 1
>C< 8
>NH 1
>C=O (nonring) 4

Similar Compounds

(-)-Epinephrine, N,O,O',O''-tetrakis(pentafluoropropionyl)-. (.+/-.)-Epinephrine, N,O,O',O''-tetrakis(pentafluoropropionyl)-. DL-Metanephrine, N,O,O'-tris(pentafluoropropionyl)-. (-)-Norepinephrine, N,O,O',O''-tetrakis(heptafluorobutyryl)-. DL-Metanephrine, N,O,O'-tris(heptafluorobutyryl)-. (-)-Norepinephrine, N,O,O',O''-tetrakis(trifluoroacetyl)-. Dihydroxyphenylalanine, TFE-PFP. (.+/-.)-Epinephrine, N,O,O',O''-tetrakis(trifluoroacetyl)-. (-)-Epinephrine, N,O,O',O''-tetrakis(trifluoroacetyl)-. DOPA, HFIP-PFP. DL-Metanephrine, N,O,O'-tris(trifluoroacetyl)-. 3-Hydroxytyramine, N,O,O'-tris(heptafluorobutyryl)-. 3-Heptafluorobutyryloxy-4-methoxybenzyl alcohol, O-pentafluoropropionyl-. 3-Hydroxy-4-methoxybenzyl alcohol, di(pentafluoropropionate). 4-Hydroxy-3-methoxybenzyl alcohol, bis(heptafluorobutyrate).

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