Chemical Properties of 3-Hydroxytyramine, N,O,O'-tris(heptafluorobutyryl)- (CAS 55538-89-1)

3-Hydroxytyramine, N,O,O'-tris(heptafluorobutyryl)-

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InChI
InChI=1S/C20H8F21NO5/c21-12(22,15(27,28)18(33,34)35)9(43)42-4-3-6-1-2-7(46-10(44)13(23,24)16(29,30)19(36,37)38)8(5-6)47-11(45)14(25,26)17(31,32)20(39,40)41/h1-2,5H,3-4H2,(H,42,43)
InChI Key
HQCGNAGTHKEFMI-UHFFFAOYSA-N
Formula
C20H8F21NO5
SMILES
O=C(NCCc1ccc(OC(=O)C(F)(F)C(F)(F)C(F)(F)F)c(OC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1)C(F)(F)C(F)(F)C(F)(F)F
Molecular Weight1
741.25
CAS
55538-89-1
Other Names
  • 3-Hydroxytyramine, N,O,O'-tris(heptafluorobutyryl)-
  • Dopamine, tris (N,O,O-HFB)
Sources

Physical Properties

Property Value Unit Source
Δf -4362.15 kJ/mol Joback Calculated Property
Δfgas -4988.31 kJ/mol Joback Calculated Property
Δfus 51.04 kJ/mol Joback Calculated Property
Δvap 66.39 kJ/mol Joback Calculated Property
logPoct/wat 6.65 Crippen Calculated Property
Pc 843.58 kPa Joback Calculated Property
Tboil 905.86 K Joback Calculated Property
Tc 1120.97 K Joback Calculated Property
Tfus 647.70 K Joback Calculated Property
Vc 1.42 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1105.97 J/mol×K 905.86 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
-F 21
=CH- (ring) 3
=C< (ring) 3
-CH2- 2
>C< 9
>NH 1
>C=O (nonring) 3

Similar Compounds

(-)-Norepinephrine, N,O,O',O''-tetrakis(heptafluorobutyryl)-. 4-tert-Butylcatechol, O,O'-bis(heptafluorobutyrate). DL-Metanephrine, N,O,O'-tris(heptafluorobutyryl)-. 4'-Hydroxy-3'-methoxyacetophenone, heptafluorobutyrate. Dihydrocapsaicin, o-heptafluorobutyryl-. 3-Heptafluorobutyryloxy-4-methoxybenzyl alcohol, O-pentafluoropropionyl-. (-)-Norepinephrine, N,O,O',O''-tetrakis(pentafluoropropionyl)-. 5-Amino-2-methoxyphenol, O,N-bis(heptafluorobutyryl)-. 4-Hydroxy-3-methoxybenzyl alcohol, bis(heptafluorobutyrate). Dihydroxyphenylalanine, TFE-PFP. Coniferyl alcohol, bis(heptafluorobutyrate). DOPA, HFIP-PFP. (-)-Epinephrine, N,O,O',O''-tetrakis(pentafluoropropionyl)-. (.+/-.)-Epinephrine, N,O,O',O''-tetrakis(pentafluoropropionyl)-. 3-Methylcatechol, bis(heptafluorobutyrate).

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